smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000524730368 1069829890 /nfs/dbraw/zinc/82/98/90/1069829890.db2.gz GVYSMBORHBGAKH-CWFYDFBTSA-N -1 0 612.418 5.449 50 30 KKEARM CC/C(C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102442679 1069858042 /nfs/dbraw/zinc/85/80/42/1069858042.db2.gz NHFVZKUTQCTNNP-BJRSOBTISA-N -1 0 547.480 5.623 50 30 KKEARM CCCCCCCCCCCCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103001723 1070932401 /nfs/dbraw/zinc/93/24/01/1070932401.db2.gz VHHWBBIWXCXINP-UHFFFAOYSA-N -1 0 615.559 10.103 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090273 1071063011 /nfs/dbraw/zinc/06/30/11/1071063011.db2.gz PLRNAFVZQQKPQC-SCQMTQESSA-N -1 0 610.999 5.397 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090274 1071063628 /nfs/dbraw/zinc/06/36/28/1071063628.db2.gz PLRNAFVZQQKPQC-VPQXBJNXSA-N -1 0 610.999 5.397 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090275 1071063754 /nfs/dbraw/zinc/06/37/54/1071063754.db2.gz PLRNAFVZQQKPQC-YLVLETGVSA-N -1 0 610.999 5.397 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCC)CCCCCCCC(=O)[O-] ZINC000575419534 1071137800 /nfs/dbraw/zinc/13/78/00/1071137800.db2.gz DPFVDUJFYPYAOO-PMERELPUSA-N -1 0 510.844 10.555 50 30 in-vitro KKEARM COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c1OC ZINC000217994082 1071294590 /nfs/dbraw/zinc/29/45/90/1071294590.db2.gz WZSORPBRYVAHHO-PUDRWSQFSA-N -1 0 538.508 5.719 50 30 biogenic KKEARM O=[N+]([O-])c1ccc(N=NC=CCc2ccccc2[N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000886005347 1071314673 /nfs/dbraw/zinc/31/46/73/1071314673.db2.gz VPTIROPITLOWSE-UCMXZAMVSA-N -1 0 501.908 5.068 50 30 KKEARM CC(N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000886005282 1071314714 /nfs/dbraw/zinc/31/47/14/1071314714.db2.gz KAIBIUJQLRNGBU-UHFFFAOYSA-N -1 0 523.796 5.648 50 30 KKEARM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000245267855 1072830718 /nfs/dbraw/zinc/83/07/18/1072830718.db2.gz MSGARHUDLMEHOG-PCSBDKELSA-N -1 0 526.018 5.758 50 30 KKEARM COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000254296456 1072845409 /nfs/dbraw/zinc/84/54/09/1072845409.db2.gz GBGDHPSRJMHKEF-UHFFFAOYSA-N -1 0 598.641 5.712 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(C)c1 ZINC000254484633 1072857229 /nfs/dbraw/zinc/85/72/29/1072857229.db2.gz VKIFYQPDHRHCME-UHFFFAOYSA-N -1 0 606.664 7.057 50 30 KKEARM COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)[N-]c4ccc(SC(F)F)cc4)cc3[N+](=O)[O-])ccc2c1 ZINC000254559859 1072864414 /nfs/dbraw/zinc/86/44/14/1072864414.db2.gz LASZNVHURDBEPU-UHFFFAOYSA-N -1 0 572.615 6.708 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c(OC)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000254583979 1072865446 /nfs/dbraw/zinc/86/54/46/1072865446.db2.gz XSFNDSPKCQFEGE-UHFFFAOYSA-N -1 0 506.540 5.012 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2cccnc2)c([N+](=O)[O-])c1 ZINC000254659937 1072870045 /nfs/dbraw/zinc/87/00/45/1072870045.db2.gz WJHBMWBSFFYGDS-UHFFFAOYSA-N -1 0 569.603 5.098 50 30 KKEARM CCCCCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000254742676 1072874936 /nfs/dbraw/zinc/87/49/36/1072874936.db2.gz OQBNHXSHHLEMPM-UHFFFAOYSA-N -1 0 554.669 6.590 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)c1 ZINC000254765001 1072877979 /nfs/dbraw/zinc/87/79/79/1072877979.db2.gz GZNUQKFOFZPIAL-UHFFFAOYSA-N -1 0 577.460 5.103 50 30 KKEARM O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1cc(Br)c([O-])c(Br)c1 ZINC000254838555 1072883778 /nfs/dbraw/zinc/88/37/78/1072883778.db2.gz PDRMJZMBFGMOPU-UHFFFAOYSA-N -1 0 505.191 5.238 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)cc1 ZINC000254860739 1072885586 /nfs/dbraw/zinc/88/55/86/1072885586.db2.gz TVDYBERBKSMHOB-UHFFFAOYSA-N -1 0 502.552 5.517 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651841 193869303 /nfs/dbraw/zinc/86/93/03/193869303.db2.gz PMVSCENVRKXHOM-DFXYEROKSA-N -1 0 515.009 6.414 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533725 195478363 /nfs/dbraw/zinc/47/83/63/195478363.db2.gz QLSKKZPCPDCUDT-MNJQFNNXSA-N -1 0 573.734 5.820 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000000631074 551505027 /nfs/dbraw/zinc/50/50/27/551505027.db2.gz SSVDCJNAOGIWTQ-GOSISDBHSA-N -1 0 545.386 5.313 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000000660420 551515995 /nfs/dbraw/zinc/51/59/95/551515995.db2.gz XDXVSYJEDLJJNS-UHFFFAOYSA-N -1 0 600.893 6.188 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(Br)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000717166 551534698 /nfs/dbraw/zinc/53/46/98/551534698.db2.gz WTLQHBFCCMRDFC-IIMAJNMQSA-N -1 0 559.460 6.523 50 30 KKEARM COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000000985931 551592796 /nfs/dbraw/zinc/59/27/96/551592796.db2.gz ATWFLZVWWLZNAF-QPHCHLROSA-N -1 0 574.605 5.617 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1OC ZINC000001097625 551607868 /nfs/dbraw/zinc/60/78/68/551607868.db2.gz SKXIFIORZWGYRB-LDLUVENISA-N -1 0 532.618 5.531 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1OC ZINC000001097624 551607948 /nfs/dbraw/zinc/60/79/48/551607948.db2.gz SKXIFIORZWGYRB-RBSBEOHCSA-N -1 0 532.618 5.531 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097617 551608028 /nfs/dbraw/zinc/60/80/28/551608028.db2.gz HRLPTMVMFGNOFG-ADXZGYQBSA-N -1 0 545.979 6.014 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1OC ZINC000001097627 551608036 /nfs/dbraw/zinc/60/80/36/551608036.db2.gz SKXIFIORZWGYRB-LBEKAKSKSA-N -1 0 532.618 5.531 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000001102529 551608851 /nfs/dbraw/zinc/60/88/51/551608851.db2.gz OTGDVLVINXPEHH-UHFFFAOYSA-N -1 0 578.105 6.698 50 30 KKEARM CN(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3)C2)cc1 ZINC000001245171 551631520 /nfs/dbraw/zinc/63/15/20/551631520.db2.gz SBCDDAWGPSWJFK-WKRVVKTRSA-N -1 0 509.606 5.518 50 30 KKEARM CN1CCc2c(sc(/N=C/c3cc(Br)cc(Br)c3[O-])c2C(=O)OC(C)(C)C)C1 ZINC000001250323 551632605 /nfs/dbraw/zinc/63/26/05/551632605.db2.gz ZUKRFAFOYSCTIR-NUGSKGIGSA-N -1 0 530.282 5.673 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321715 551641804 /nfs/dbraw/zinc/64/18/04/551641804.db2.gz KDEJRUYPPHGUQM-UGDMGKLASA-N -1 0 554.599 5.247 50 30 biogenic KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409186 551663950 /nfs/dbraw/zinc/66/39/50/551663950.db2.gz WRENIOBPRRZLLJ-CAQRMWTPSA-N -1 0 536.672 7.058 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409607 551664231 /nfs/dbraw/zinc/66/42/31/551664231.db2.gz SHUORKRSIJZSML-PRAQEBQASA-N -1 0 531.008 6.114 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001450206 551675121 /nfs/dbraw/zinc/67/51/21/551675121.db2.gz NUHUEVJOHNARNX-JOCHJYFZSA-N -1 0 536.562 5.097 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000001450199 551675162 /nfs/dbraw/zinc/67/51/62/551675162.db2.gz ZXZFDGRVPMENAU-IBGZPJMESA-N -1 0 517.415 6.456 50 30 KKEARM COc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453809 551676307 /nfs/dbraw/zinc/67/63/07/551676307.db2.gz MNVGOQCVRBJFQQ-PLTNMMHCSA-N -1 0 556.615 5.478 50 30 biogenic KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000001457465 551677102 /nfs/dbraw/zinc/67/71/02/551677102.db2.gz BGNYIUFAMQMHFF-PVAZPRTOSA-N -1 0 552.671 6.758 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457572 551677411 /nfs/dbraw/zinc/67/74/11/551677411.db2.gz AWUVMGNLLWGWBU-JPZYQRIQSA-N -1 0 510.590 5.769 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001479908 551681142 /nfs/dbraw/zinc/68/11/42/551681142.db2.gz SNIQVJVQMGPYOZ-XMMPIXPASA-N -1 0 544.585 5.273 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000001480014 551681501 /nfs/dbraw/zinc/68/15/01/551681501.db2.gz AIYJTABEGJEOSG-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM COc1ccc(CCN2C(=O)[C@@](c3c(C)[n-]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001877038 551722933 /nfs/dbraw/zinc/72/29/33/551722933.db2.gz GXCVAWSFURCZDL-PMERELPUSA-N -1 0 583.607 5.019 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000002059613 551741469 /nfs/dbraw/zinc/74/14/69/551741469.db2.gz XFOQHMCRLULUER-VWLOTQADSA-N -1 0 566.484 7.235 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000002084654 551754330 /nfs/dbraw/zinc/75/43/30/551754330.db2.gz DXMBJYHPVVNOKI-LJOBNOHESA-N -1 0 516.619 6.201 50 30 KKEARM CCc1c(C)sc([N-]C(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)c1C#N ZINC000002284539 551806712 /nfs/dbraw/zinc/80/67/12/551806712.db2.gz AIVZANVIMWQPID-UHFFFAOYSA-N -1 0 504.283 6.460 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451436 552078014 /nfs/dbraw/zinc/07/80/14/552078014.db2.gz VJHHTPBDBGPSGJ-QHCPKHFHSA-N -1 0 534.590 5.569 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)c(C)c1 ZINC000002363681 552103327 /nfs/dbraw/zinc/10/33/27/552103327.db2.gz JUJOUAHZADTGCS-JCMHNJIXSA-N -1 0 505.621 5.088 50 30 KKEARM C=CCn1c(CSCc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002851413 552201076 /nfs/dbraw/zinc/20/10/76/552201076.db2.gz LQKGCSOHFFGFQI-UHFFFAOYSA-N -1 0 523.467 5.633 50 30 KKEARM Cc1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(I)c4[O-])cc3)nc2c1 ZINC000003049935 552277083 /nfs/dbraw/zinc/27/70/83/552277083.db2.gz DNVZGVJPSPUXLO-BHGWPJFGSA-N -1 0 533.163 6.627 50 30 KKEARM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1[O-] ZINC000003079678 552285562 /nfs/dbraw/zinc/28/55/62/552285562.db2.gz XFDUOMFDKSKVJC-WBSLIQCRSA-N -1 0 506.733 6.254 50 30 KKEARM COc1cc(Br)c(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1O ZINC000003083390 552285838 /nfs/dbraw/zinc/28/58/38/552285838.db2.gz QZIHQQVDHNAILA-YSURURNPSA-N -1 0 518.161 6.190 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000003635437 552399064 /nfs/dbraw/zinc/39/90/64/552399064.db2.gz XPIQBAWSDHXIHT-UHFFFAOYSA-N -1 0 553.405 5.863 50 30 KKEARM Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)c(C)c1 ZINC000003663347 552407759 /nfs/dbraw/zinc/40/77/59/552407759.db2.gz INQCKSRSHBBYEW-VZRWKNKGSA-N -1 0 544.529 8.104 50 30 KKEARM Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)c(C)c1 ZINC000003663351 552407819 /nfs/dbraw/zinc/40/78/19/552407819.db2.gz QVMAELGSQYKXOY-LUOAPIJWSA-N -1 0 516.475 7.407 50 30 KKEARM CCOc1cc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1OCc1cccc(Cl)c1 ZINC000003664542 552408599 /nfs/dbraw/zinc/40/85/99/552408599.db2.gz JUEHMYLAZFEREJ-UXHLAJHPSA-N -1 0 522.026 6.264 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000004398395 552458706 /nfs/dbraw/zinc/45/87/06/552458706.db2.gz WRLPSJVPFIQMMC-NRFANRHFSA-N -1 0 531.640 6.421 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc3ccccc32)cc1 ZINC000004662463 552471341 /nfs/dbraw/zinc/47/13/41/552471341.db2.gz SNBCLZVMYCATOS-UHFFFAOYSA-N -1 0 577.721 7.579 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000005355234 552498584 /nfs/dbraw/zinc/49/85/84/552498584.db2.gz ZODDBSSJTXWHFG-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000005355349 552498665 /nfs/dbraw/zinc/49/86/65/552498665.db2.gz KBXTXZFXTNAADZ-XMMPIXPASA-N -1 0 580.659 5.613 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)[C@](O)(CC(=O)c3ccccc3)N2c2ccc(OC)cc2)cc1 ZINC000005544646 552504571 /nfs/dbraw/zinc/50/45/71/552504571.db2.gz IMKRISCWILHDNH-LXANVCGNSA-N -1 0 535.596 5.922 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005918671 552511721 /nfs/dbraw/zinc/51/17/21/552511721.db2.gz CPWXMAVLODQFDH-QHCPKHFHSA-N -1 0 566.632 5.217 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000005919025 552511992 /nfs/dbraw/zinc/51/19/92/552511992.db2.gz UYHZLQLCXOSFCG-HSZRJFAPSA-N -1 0 567.063 6.328 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000005919761 552512258 /nfs/dbraw/zinc/51/22/58/552512258.db2.gz VKIRJVMINXGIJB-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000005927820 552513050 /nfs/dbraw/zinc/51/30/50/552513050.db2.gz GLTAZSUVMUFFPX-QFIPXVFZSA-N -1 0 536.581 5.423 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000006014875 552518909 /nfs/dbraw/zinc/51/89/09/552518909.db2.gz AESVAWGOAHQLGM-QFIPXVFZSA-N -1 0 541.398 5.535 50 30 KKEARM CC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1-c1ccccc1 ZINC000006146586 552548236 /nfs/dbraw/zinc/54/82/36/552548236.db2.gz FESQMJQHWNQMLJ-UHFFFAOYSA-N -1 0 533.675 6.683 50 30 KKEARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006146627 552548298 /nfs/dbraw/zinc/54/82/98/552548298.db2.gz VDTVOMUZTKVMBF-UHFFFAOYSA-N -1 0 520.426 6.225 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000006459118 552589946 /nfs/dbraw/zinc/58/99/46/552589946.db2.gz NDBWIIPSZXYDBE-JOCHJYFZSA-N -1 0 578.599 5.218 50 30 KKEARM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1 ZINC000008382557 552985902 /nfs/dbraw/zinc/98/59/02/552985902.db2.gz IZWWQKCSXNYHGT-UHFFFAOYSA-N -1 0 594.453 5.807 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383447 552986816 /nfs/dbraw/zinc/98/68/16/552986816.db2.gz UJGNUEZDJMMGCF-HSZRJFAPSA-N -1 0 578.046 7.152 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)cc3)s2)cc1 ZINC000008384008 552988277 /nfs/dbraw/zinc/98/82/77/552988277.db2.gz QTSGSSZGHKFXRY-HKBQPEDESA-N -1 0 645.762 8.247 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000008383970 552988309 /nfs/dbraw/zinc/98/83/09/552988309.db2.gz UHVIPJQSBSXYHU-HHHXNRCGSA-N -1 0 613.717 7.075 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000008395950 552994453 /nfs/dbraw/zinc/99/44/53/552994453.db2.gz WPHNXQHKYUSFKZ-OSYFUCRWSA-N -1 0 541.629 5.875 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Cl)cc([N+](=O)[O-])cc4Cl)c3=O)n2)cc1 ZINC000008397593 552997038 /nfs/dbraw/zinc/99/70/38/552997038.db2.gz SGJBGYXBHKUNPH-JJKYIXSRSA-N -1 0 612.411 6.161 50 30 KKEARM Cc1cccc(N=Nc2c(=O)n(-c3nc(-c4ccc(Br)cc4)cs3)[n-]c2-c2ccccc2)c1C ZINC000008398424 552999184 /nfs/dbraw/zinc/99/91/84/552999184.db2.gz NYEOGRULWNYMNX-KRUMMXJUSA-N -1 0 530.451 6.408 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(Br)cc1 ZINC000008426984 553019082 /nfs/dbraw/zinc/01/90/82/553019082.db2.gz SRAPOAIYANTFGE-REZTVBANSA-N -1 0 527.925 5.115 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1C=NN=c1nc2[nH]onc-2nc1Nc1cccc(Br)c1 ZINC000008427616 553020285 /nfs/dbraw/zinc/02/02/85/553020285.db2.gz AVQBUXWKFAMGRK-QPSGOUHRSA-N -1 0 539.575 5.086 50 30 KKEARM O=C1CCCCCC[C@H]1[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008436867 553031149 /nfs/dbraw/zinc/03/11/49/553031149.db2.gz IUCCIVARQVPPPQ-SSDOTTSWSA-N -1 0 623.325 6.165 50 30 KKEARM O=C([O-])c1ccc2nc(-c3ccc(C#Cc4ccc(F)cc4)cc3)c(-c3ccc(C#Cc4ccc(F)cc4)cc3)nc2c1 ZINC000008440159 553036774 /nfs/dbraw/zinc/03/67/74/553036774.db2.gz KMIRDHPTSOAWCG-UHFFFAOYSA-N -1 0 562.575 7.740 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccccc3)s2)cc1 ZINC000008441278 553039958 /nfs/dbraw/zinc/03/99/58/553039958.db2.gz HHGFSNOAYADHDT-DEOSSOPVSA-N -1 0 539.638 6.668 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000008441749 553042253 /nfs/dbraw/zinc/04/22/53/553042253.db2.gz GNMSVYBOOIBCOP-SSEXGKCCSA-N -1 0 612.704 7.802 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441788 553042353 /nfs/dbraw/zinc/04/23/53/553042353.db2.gz CZKCMKZKBLTHIF-HKBQPEDESA-N -1 0 647.778 8.692 50 30 KKEARM C=CCOc1c(Br)c(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OCC ZINC000008444243 553049829 /nfs/dbraw/zinc/04/98/29/553049829.db2.gz FJNNGPFEUWXIHD-BOPFTXTBSA-N -1 0 564.230 5.679 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000008445416 553054167 /nfs/dbraw/zinc/05/41/67/553054167.db2.gz GBHOPVROEOXQKI-SANMLTNESA-N -1 0 513.491 5.103 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)[C@H]1c1ccccc1 ZINC000008445577 553054531 /nfs/dbraw/zinc/05/45/31/553054531.db2.gz UZAYYQAXMWJCPB-HQBMZEECSA-N -1 0 540.373 6.914 50 30 KKEARM Cc1ccc(NC(=O)COc2cccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)c2)cc1Cl ZINC000008461827 553075396 /nfs/dbraw/zinc/07/53/96/553075396.db2.gz IXPGSJBKJFUUPR-UHFFFAOYSA-N -1 0 605.131 6.436 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836675 553163169 /nfs/dbraw/zinc/16/31/69/553163169.db2.gz SEXSWBQPTIBYIW-HXUWFJFHSA-N -1 0 510.999 5.798 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008838144 553165013 /nfs/dbraw/zinc/16/50/13/553165013.db2.gz UOVWCLCCXNKFKL-QHCPKHFHSA-N -1 0 520.538 5.244 50 30 KKEARM COc1ccc(/C=N/n2cc(-c3ccc(OC)cc3)nc2/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000008856882 553167747 /nfs/dbraw/zinc/16/77/47/553167747.db2.gz QRNCLUZFVANLPP-KOOCHTTISA-N -1 0 584.268 6.431 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000008872110 553172207 /nfs/dbraw/zinc/17/22/07/553172207.db2.gz PQBBXFKINPIYKQ-STBIYBPSSA-N -1 0 521.537 5.772 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000008872794 553174137 /nfs/dbraw/zinc/17/41/37/553174137.db2.gz ASMYBFBBAROIAG-MWLSYYOVSA-N -1 0 566.534 5.680 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008934737 553193244 /nfs/dbraw/zinc/19/32/44/553193244.db2.gz PIYQCIXIKZNBKO-QHCPKHFHSA-N -1 0 516.550 5.567 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008987988 553196851 /nfs/dbraw/zinc/19/68/51/553196851.db2.gz LCIQDRTVGIVKGQ-HXUWFJFHSA-N -1 0 515.443 7.064 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009065074 553205708 /nfs/dbraw/zinc/20/57/08/553205708.db2.gz UHLQQBASEQOHMF-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009065488 553205914 /nfs/dbraw/zinc/20/59/14/553205914.db2.gz KTPAVFHNMSJOBP-PRAQEBQASA-N -1 0 515.009 6.414 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009067686 553206414 /nfs/dbraw/zinc/20/64/14/553206414.db2.gz BZXRXDJOXUYCER-QFIPXVFZSA-N -1 0 506.605 5.938 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009068490 553206614 /nfs/dbraw/zinc/20/66/14/553206614.db2.gz XPBDRBOWZMLTSU-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009123033 553212347 /nfs/dbraw/zinc/21/23/47/553212347.db2.gz RGGHHWSGGXDHQG-JOCHJYFZSA-N -1 0 502.523 5.313 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009176337 553216059 /nfs/dbraw/zinc/21/60/59/553216059.db2.gz TXFSEBPFSDEFTO-DEOSSOPVSA-N -1 0 518.566 6.016 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009186468 553217457 /nfs/dbraw/zinc/21/74/57/553217457.db2.gz AQDSNEKBBIFEGK-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009235627 553225439 /nfs/dbraw/zinc/22/54/39/553225439.db2.gz KJUCAXQWXAIMBW-LJQANCHMSA-N -1 0 511.353 5.443 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)c1 ZINC000009243100 553226898 /nfs/dbraw/zinc/22/68/98/553226898.db2.gz FVTAQPZBPDHCHS-QHCPKHFHSA-N -1 0 506.580 5.122 50 30 KKEARM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(C(=O)[O-])c3)c2-c2ccccc2)cc1 ZINC000009262148 553228475 /nfs/dbraw/zinc/22/84/75/553228475.db2.gz AJYLBHSXEGXTHB-PPOKSSTKSA-N -1 0 514.581 7.437 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009271256 553230664 /nfs/dbraw/zinc/23/06/64/553230664.db2.gz VUVUYPFJTZPUJK-JOCHJYFZSA-N -1 0 520.538 5.244 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000009272438 553231733 /nfs/dbraw/zinc/23/17/33/553231733.db2.gz CAKZGOZNTSINAR-FQEVSTJZSA-N -1 0 515.791 6.171 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000009272437 553231795 /nfs/dbraw/zinc/23/17/95/553231795.db2.gz CAKZGOZNTSINAR-HXUWFJFHSA-N -1 0 515.791 6.171 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009272824 553231974 /nfs/dbraw/zinc/23/19/74/553231974.db2.gz ADXOVBWZKFDOBV-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000009273700 553232231 /nfs/dbraw/zinc/23/22/31/553232231.db2.gz VVJGRNLRKDNXGU-FQEVSTJZSA-N -1 0 509.381 6.052 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009280190 553233140 /nfs/dbraw/zinc/23/31/40/553233140.db2.gz MXFVZHLNHMYNNS-OAQYLSRUSA-N -1 0 505.483 5.135 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000009280259 553233149 /nfs/dbraw/zinc/23/31/49/553233149.db2.gz FDOBFKVFDRBCGI-LJQANCHMSA-N -1 0 513.344 5.882 50 30 KKEARM COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000009311187 553239289 /nfs/dbraw/zinc/23/92/89/553239289.db2.gz SAVRJAXDQDNWBI-WENCNXQZSA-N -1 0 514.553 5.600 50 30 KKEARM COCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C1=N\c1ccccc1 ZINC000009311524 553239444 /nfs/dbraw/zinc/23/94/44/553239444.db2.gz ZAUFTTZVAGHPNS-NZQUJZJYSA-N -1 0 512.223 5.168 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1 ZINC000009328429 553242048 /nfs/dbraw/zinc/24/20/48/553242048.db2.gz BNPMPRJDTDNFCB-FQEVSTJZSA-N -1 0 505.577 5.220 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009373794 553250729 /nfs/dbraw/zinc/25/07/29/553250729.db2.gz PRLIEDLPRWOWBR-LAJNKCICSA-N -1 0 508.983 5.414 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009380738 553251954 /nfs/dbraw/zinc/25/19/54/553251954.db2.gz PGBGBHSTMPPZIH-WRONEBCDSA-N -1 0 500.982 6.105 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380748 553251971 /nfs/dbraw/zinc/25/19/71/553251971.db2.gz HBNVSWCYQDUNQB-SMSORMJASA-N -1 0 524.573 5.239 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009424922 553259109 /nfs/dbraw/zinc/25/91/09/553259109.db2.gz ARDDOWVZCSVPSO-DEOSSOPVSA-N -1 0 515.566 5.656 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000009461020 553267146 /nfs/dbraw/zinc/26/71/46/553267146.db2.gz UYOHKQUBWDAGAG-XMMPIXPASA-N -1 0 500.551 5.953 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1 ZINC000009540743 553277790 /nfs/dbraw/zinc/27/77/90/553277790.db2.gz NUFILCIFHNUTKG-QFIPXVFZSA-N -1 0 503.605 5.578 50 30 KKEARM O=c1c(N=Nc2ccc(Br)cc2)c(-c2ccccc2)[n-]n1-c1ncc(-c2ccccc2)s1 ZINC000009762119 553303058 /nfs/dbraw/zinc/30/30/58/553303058.db2.gz PIINUFBVCAQOFN-SLMZUGIISA-N -1 0 502.397 5.792 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000012311286 553357147 /nfs/dbraw/zinc/35/71/47/553357147.db2.gz LSCJEUMKYIPMHH-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N\c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000012360461 553359177 /nfs/dbraw/zinc/35/91/77/553359177.db2.gz WIYGTLSXYFERNI-RMORIDSASA-N -1 0 504.203 6.650 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@@H]3c3ccc(F)cc3)oc21 ZINC000012533331 553387426 /nfs/dbraw/zinc/38/74/26/553387426.db2.gz SMIIICNCQCBFIY-HXUWFJFHSA-N -1 0 506.511 5.331 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012876437 553424732 /nfs/dbraw/zinc/42/47/32/553424732.db2.gz YXLFXJKRSACMAD-LDIQRAJCSA-N -1 0 508.659 5.087 50 30 biogenic KKEARM COc1ccc(/N=C2\S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)N2CC(C)C)cc1 ZINC000015009584 553525425 /nfs/dbraw/zinc/52/54/25/553525425.db2.gz QAUBSZJCZNMZMR-BVRLNOCPSA-N -1 0 516.619 6.232 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000016513060 553566990 /nfs/dbraw/zinc/56/69/90/553566990.db2.gz ZPVVAGVTYLSJGL-UVHMKAGCSA-N -1 0 514.210 7.032 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000016730403 553576432 /nfs/dbraw/zinc/57/64/32/553576432.db2.gz BLQRDTNGJOYDJA-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016732171 553577489 /nfs/dbraw/zinc/57/74/89/553577489.db2.gz GKYKXRIQYCHILN-LJQANCHMSA-N -1 0 517.390 5.752 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3nc4ccccc4s3)[C@H]2c2ccccc2)nc1C ZINC000016750585 553580703 /nfs/dbraw/zinc/58/07/03/553580703.db2.gz SRVGYQRMKLKEAP-LJQANCHMSA-N -1 0 517.588 5.187 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016805241 553582794 /nfs/dbraw/zinc/58/27/94/553582794.db2.gz ULTQXMVLTFUQKX-FQEVSTJZSA-N -1 0 518.422 6.115 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1 ZINC000016805345 553582841 /nfs/dbraw/zinc/58/28/41/553582841.db2.gz FNUMHQAYRFWMKB-NRFANRHFSA-N -1 0 524.570 5.339 50 30 KKEARM Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000017198007 553590189 /nfs/dbraw/zinc/59/01/89/553590189.db2.gz OPKCTTLIKPPXMQ-HSZRJFAPSA-N -1 0 520.379 5.855 50 30 KKEARM Cc1cccc2oc(-c3cc(/N=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3[O-])nc21 ZINC000017886054 553600374 /nfs/dbraw/zinc/60/03/74/553600374.db2.gz LYSNXPSYODFADK-MBTHVWNTSA-N -1 0 510.462 6.868 50 30 KKEARM CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018198595 553609671 /nfs/dbraw/zinc/60/96/71/553609671.db2.gz MVFXBVXXJBGAOF-PPHZAIPVSA-N -1 0 525.630 6.297 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198757 553609717 /nfs/dbraw/zinc/60/97/17/553609717.db2.gz QACWRDZMSWBERK-GKVSMKOHSA-N -1 0 516.022 6.552 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000072332878 553650363 /nfs/dbraw/zinc/65/03/63/553650363.db2.gz IJEVCNPWWCDYER-DDHKPWLBSA-N -1 0 632.882 9.131 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000079216705 553670945 /nfs/dbraw/zinc/67/09/45/553670945.db2.gz MTEVWUWWYBUXPF-UHQAMQGMSA-N -1 0 668.700 9.596 50 30 biogenic KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095681633 553707405 /nfs/dbraw/zinc/70/74/05/553707405.db2.gz MMYNPHSPRPZSSN-UHFFFAOYSA-N -1 0 546.095 6.054 50 30 KKEARM O=C([O-])C(F)(F)[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681855 553707959 /nfs/dbraw/zinc/70/79/59/553707959.db2.gz KZUSAXRVIONPJU-VKHMYHEASA-N -1 0 514.078 5.716 50 30 KKEARM Cc1cc(C)c(C(=O)NC(C)(C)C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(CC(C)(C)C(=O)[O-])c1 ZINC000095742707 553712198 /nfs/dbraw/zinc/71/21/98/553712198.db2.gz NRHMWKZBSKJWQJ-UHFFFAOYSA-N -1 0 527.505 6.554 50 30 KKEARM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(C45CC6CC(CC(C6)C4)C5)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000022842785 553759071 /nfs/dbraw/zinc/75/90/71/553759071.db2.gz FHZFDFZNORRISP-MZSYGXMKSA-N -1 0 517.695 7.603 50 30 KKEARM Cc1ccc(NC(=O)COc2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000097944424 553769350 /nfs/dbraw/zinc/76/93/50/553769350.db2.gz GTXQCNZSFMDBHO-JKKLCMLYSA-N -1 0 656.558 7.277 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000097952289 553814699 /nfs/dbraw/zinc/81/46/99/553814699.db2.gz OXRWTTSEIGGIOL-RUZDIDTESA-N -1 0 540.597 5.600 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000097954693 553824655 /nfs/dbraw/zinc/82/46/55/553824655.db2.gz BXFNEQMPROENDU-HHHXNRCGSA-N -1 0 534.609 5.988 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(C)c([N+](=O)[O-])c4)c3=O)n2)cc1 ZINC000027496980 553826362 /nfs/dbraw/zinc/82/63/62/553826362.db2.gz FDVOVVNDEZEWDP-RMLRFSFXSA-N -1 0 512.551 5.254 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955146 553829182 /nfs/dbraw/zinc/82/91/82/553829182.db2.gz PKIBAAPQKOEGNY-ZAMGYDSWSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955262 553830479 /nfs/dbraw/zinc/83/04/79/553830479.db2.gz UPODBMJPAIOXNH-ZAMGYDSWSA-N -1 0 547.976 5.964 50 30 KKEARM COc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)c1 ZINC000097955558 553831390 /nfs/dbraw/zinc/83/13/90/553831390.db2.gz HFHNIPWCPCKQEH-BHGWPJFGSA-N -1 0 596.162 6.169 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097955590 553831626 /nfs/dbraw/zinc/83/16/26/553831626.db2.gz QQCDUDFYYCPZCB-VWLOTQADSA-N -1 0 606.653 5.146 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000097955820 553834138 /nfs/dbraw/zinc/83/41/38/553834138.db2.gz AEUUSYFXXRZTGH-SANMLTNESA-N -1 0 526.614 6.212 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000027551459 553834356 /nfs/dbraw/zinc/83/43/56/553834356.db2.gz UGRJTZLQDUTGTC-HXUWFJFHSA-N -1 0 507.326 5.125 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956227 553836974 /nfs/dbraw/zinc/83/69/74/553836974.db2.gz LQCARSUPQNCQIE-ZAMGYDSWSA-N -1 0 531.521 5.450 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000097956785 553841721 /nfs/dbraw/zinc/84/17/21/553841721.db2.gz YXIRIQHEFPVOIJ-FQEVSTJZSA-N -1 0 561.443 6.035 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097956824 553842147 /nfs/dbraw/zinc/84/21/47/553842147.db2.gz VETQKCVQEQHDMR-HXUWFJFHSA-N -1 0 526.998 5.382 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956890 553842940 /nfs/dbraw/zinc/84/29/40/553842940.db2.gz GWDNUFPNEWQWOF-DEOSSOPVSA-N -1 0 578.643 5.302 50 30 KKEARM CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097960011 553867692 /nfs/dbraw/zinc/86/76/92/553867692.db2.gz IHWWJMMQPYLNCC-XIFFEERXSA-N -1 0 603.115 7.326 50 30 KKEARM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000097960202 553868964 /nfs/dbraw/zinc/86/89/64/553868964.db2.gz DNRFGNRQHULURA-JQDPYBPBSA-N -1 0 525.605 6.736 50 30 KKEARM COc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000097960442 553871720 /nfs/dbraw/zinc/87/17/20/553871720.db2.gz ORQAVTLHIHWDTH-UDWIEESQSA-N -1 0 529.401 6.171 50 30 KKEARM CC(C)c1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000097962898 553886070 /nfs/dbraw/zinc/88/60/70/553886070.db2.gz ZOAJQFLAAQYMBT-YDZHTSKRSA-N -1 0 560.473 6.695 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097966971 553912394 /nfs/dbraw/zinc/91/23/94/553912394.db2.gz GPPBZDNWKZOYSY-HKBQPEDESA-N -1 0 646.721 7.701 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966983 553912742 /nfs/dbraw/zinc/91/27/42/553912742.db2.gz GULCBQLIWBGTFN-MUUNZHRXSA-N -1 0 628.703 6.316 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097967340 553917214 /nfs/dbraw/zinc/91/72/14/553917214.db2.gz QFFHWUHQLOITMN-SSEXGKCCSA-N -1 0 654.741 6.872 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967355 553917298 /nfs/dbraw/zinc/91/72/98/553917298.db2.gz UDSGTUDCCRWRIG-QHCPKHFHSA-N -1 0 553.423 6.466 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967434 553918565 /nfs/dbraw/zinc/91/85/65/553918565.db2.gz MZRQUZTYOOVBHV-SXBQZSJRSA-N -1 0 637.508 6.278 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967498 553919339 /nfs/dbraw/zinc/91/93/39/553919339.db2.gz AHTBQTNYGQAKDN-CHJDUVSTSA-N -1 0 641.815 7.670 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967540 553919807 /nfs/dbraw/zinc/91/98/07/553919807.db2.gz HISILXPXQOTWLV-WRGVRERRSA-N -1 0 692.259 8.168 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967556 553920249 /nfs/dbraw/zinc/92/02/49/553920249.db2.gz OTNJAPKMFWJVKA-OWJWWREXSA-N -1 0 610.544 7.244 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967603 553920498 /nfs/dbraw/zinc/92/04/98/553920498.db2.gz UBDJPFNAJVDIDI-AFJIDDCJSA-N -1 0 662.233 8.015 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097967594 553920568 /nfs/dbraw/zinc/92/05/68/553920568.db2.gz BYNRMFCXOGZJQI-AREMUKBSSA-N -1 0 620.680 5.536 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967601 553920590 /nfs/dbraw/zinc/92/05/90/553920590.db2.gz UBDJPFNAJVDIDI-WRONEBCDSA-N -1 0 662.233 8.015 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967629 553920968 /nfs/dbraw/zinc/92/09/68/553920968.db2.gz GZUVFJHDXVOIRK-CHJDUVSTSA-N -1 0 641.815 7.814 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967628 553921041 /nfs/dbraw/zinc/92/10/41/553921041.db2.gz GZUVFJHDXVOIRK-SMSORMJASA-N -1 0 641.815 7.814 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967691 553921919 /nfs/dbraw/zinc/92/19/19/553921919.db2.gz DHPUARWSFKWTAH-WRAWZCCESA-N -1 0 741.891 9.068 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967716 553922109 /nfs/dbraw/zinc/92/21/09/553922109.db2.gz IVAWWMRPLKQKHB-XGCWNURASA-N -1 0 569.639 5.540 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967707 553922368 /nfs/dbraw/zinc/92/23/68/553922368.db2.gz PRBVFMHGQPRHFO-HHHXNRCGSA-N -1 0 614.676 5.926 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967793 553922969 /nfs/dbraw/zinc/92/29/69/553922969.db2.gz JVOMOFAFLLPYSH-JPZYQRIQSA-N -1 0 671.841 7.904 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967813 553923512 /nfs/dbraw/zinc/92/35/12/553923512.db2.gz NJEQMFHQUVQSEO-RBSBEOHCSA-N -1 0 619.139 7.490 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097967824 553923614 /nfs/dbraw/zinc/92/36/14/553923614.db2.gz TYNPTQDHOILHJX-PMERELPUSA-N -1 0 691.803 7.347 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967807 553923633 /nfs/dbraw/zinc/92/36/33/553923633.db2.gz XMVWXBCFYBTIFF-WRGVRERRSA-N -1 0 675.804 7.653 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097967857 553923913 /nfs/dbraw/zinc/92/39/13/553923913.db2.gz USAFZBKKCNZUCZ-MUUNZHRXSA-N -1 0 629.760 6.809 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967830 553924058 /nfs/dbraw/zinc/92/40/58/553924058.db2.gz IDQIMHRJIATBES-IZHWHUGBSA-N -1 0 577.634 6.215 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000033353262 553924122 /nfs/dbraw/zinc/92/41/22/553924122.db2.gz GHTJWWCEIGGPBB-ATVHPVEESA-N -1 0 517.752 5.711 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967834 553924174 /nfs/dbraw/zinc/92/41/74/553924174.db2.gz RDIAFZGCJPLFEW-QJWGWKRISA-N -1 0 740.731 9.067 50 30 KKEARM CCOC(=O)c1c(/N=C/c2cc(I)cc(I)c2[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000033353283 553924212 /nfs/dbraw/zinc/92/42/12/553924212.db2.gz JECFBQKQYVNBEY-KKMKTNMSSA-N -1 0 672.326 6.149 50 30 KKEARM O=[N+]([O-])c1cccc(CN=Nc2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)c1[O-] ZINC000033353323 553924468 /nfs/dbraw/zinc/92/44/68/553924468.db2.gz XCGGVUGKZNWEFN-MUXKCCDJSA-N -1 0 525.447 5.342 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967859 553924591 /nfs/dbraw/zinc/92/45/91/553924591.db2.gz AHRCKSDGYOWKSB-SSEXGKCCSA-N -1 0 718.640 8.270 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967860 553924598 /nfs/dbraw/zinc/92/45/98/553924598.db2.gz AHRCKSDGYOWKSB-PMERELPUSA-N -1 0 718.640 8.270 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967891 553924926 /nfs/dbraw/zinc/92/49/26/553924926.db2.gz RHXPHZLYLMAJNT-NDEPHWFRSA-N -1 0 643.743 6.348 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967932 553925290 /nfs/dbraw/zinc/92/52/90/553925290.db2.gz VIIZTXBUECPLDR-AREMUKBSSA-N -1 0 634.135 6.603 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967937 553925354 /nfs/dbraw/zinc/92/53/54/553925354.db2.gz AFOXEIVBKBJSFA-IVCQMTBJSA-N -1 0 589.670 6.084 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967977 553925817 /nfs/dbraw/zinc/92/58/17/553925817.db2.gz OTYBYXGVVCOPAN-LJAQVGFWSA-N -1 0 643.787 7.118 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097967970 553925843 /nfs/dbraw/zinc/92/58/43/553925843.db2.gz REMPVJBLESSQJG-MUUNZHRXSA-N -1 0 651.722 6.324 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967986 553926071 /nfs/dbraw/zinc/92/60/71/553926071.db2.gz VGQJLTLQXBEQBN-UMSFTDKQSA-N -1 0 723.873 8.505 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097968029 553926576 /nfs/dbraw/zinc/92/65/76/553926576.db2.gz DQTFQRBYERFOAM-XMMPIXPASA-N -1 0 575.643 5.832 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968052 553926907 /nfs/dbraw/zinc/92/69/07/553926907.db2.gz HVDCKJJKOIRYKE-HSZRJFAPSA-N -1 0 559.625 5.090 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968066 553927166 /nfs/dbraw/zinc/92/71/66/553927166.db2.gz GXCYNRVWAYZCIF-XMMPIXPASA-N -1 0 608.097 6.047 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968100 553927384 /nfs/dbraw/zinc/92/73/84/553927384.db2.gz OTKPZZZXNIVTLW-RUZDIDTESA-N -1 0 622.124 6.437 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968082 553927394 /nfs/dbraw/zinc/92/73/94/553927394.db2.gz UKHGXKHOUXSLLH-AREMUKBSSA-N -1 0 601.706 6.173 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968091 553927540 /nfs/dbraw/zinc/92/75/40/553927540.db2.gz CXOKLTNIJWSDPI-ADXZGYQBSA-N -1 0 696.678 8.668 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968089 553927546 /nfs/dbraw/zinc/92/75/46/553927546.db2.gz CXOKLTNIJWSDPI-SLQAJWMNSA-N -1 0 696.678 8.668 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968172 553928868 /nfs/dbraw/zinc/92/88/68/553928868.db2.gz ROFNPUQUWZLHPA-SSEXGKCCSA-N -1 0 684.195 7.617 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968226 553929246 /nfs/dbraw/zinc/92/92/46/553929246.db2.gz SKHLCEVCIHEOGY-CBZJRKILSA-N -1 0 668.624 8.032 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968238 553929534 /nfs/dbraw/zinc/92/95/34/553929534.db2.gz NHTVTTIVFVBWIL-OYLFLEFRSA-N -1 0 594.089 6.729 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097968261 553929545 /nfs/dbraw/zinc/92/95/45/553929545.db2.gz NAYYPMLARVEMPN-NDEPHWFRSA-N -1 0 680.204 7.225 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968247 553929611 /nfs/dbraw/zinc/92/96/11/553929611.db2.gz HSSNVYQIVZIREF-LJAQVGFWSA-N -1 0 677.776 7.101 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097968258 553929618 /nfs/dbraw/zinc/92/96/18/553929618.db2.gz HMHRHUWNNALJLP-JGCGQSQUSA-N -1 0 728.248 8.016 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968256 553929647 /nfs/dbraw/zinc/92/96/47/553929647.db2.gz XPGYFAPVCSPEMB-SSEXGKCCSA-N -1 0 684.195 7.617 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968262 553929944 /nfs/dbraw/zinc/92/99/44/553929944.db2.gz VIEDCSWBTLPXKG-HHHXNRCGSA-N -1 0 700.622 7.489 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968282 553929956 /nfs/dbraw/zinc/92/99/56/553929956.db2.gz HSFXQUUUUVSLAU-NDEPHWFRSA-N -1 0 647.750 6.949 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000033354547 553930262 /nfs/dbraw/zinc/93/02/62/553930262.db2.gz GUZYPJLSBZNGOB-XOLIDWHGSA-N -1 0 524.216 6.414 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968294 553930295 /nfs/dbraw/zinc/93/02/95/553930295.db2.gz KTIMJXXFBLDIER-SANMLTNESA-N -1 0 634.135 6.603 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968344 553930673 /nfs/dbraw/zinc/93/06/73/553930673.db2.gz NWZZYWMHXVDASL-MHZLTWQESA-N -1 0 615.733 6.563 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968327 553930709 /nfs/dbraw/zinc/93/07/09/553930709.db2.gz NSGKPDXQAUPSFC-HSZRJFAPSA-N -1 0 594.070 5.744 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968352 553930774 /nfs/dbraw/zinc/93/07/74/553930774.db2.gz PCNKJAZIVDQLJD-OWJWWREXSA-N -1 0 575.643 5.781 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968382 553931343 /nfs/dbraw/zinc/93/13/43/553931343.db2.gz OLDFETPQTWZVCQ-GEFUHLBYSA-N -1 0 716.668 8.823 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968414 553931906 /nfs/dbraw/zinc/93/19/06/553931906.db2.gz UVXSQHQKPUNBDZ-HHHXNRCGSA-N -1 0 631.732 6.182 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968408 553931926 /nfs/dbraw/zinc/93/19/26/553931926.db2.gz IRGHKHAFJWDBIW-XMMPIXPASA-N -1 0 642.542 6.700 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968410 553931993 /nfs/dbraw/zinc/93/19/93/553931993.db2.gz QACARLVBDWEHHK-AREMUKBSSA-N -1 0 636.151 6.827 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968391 553932008 /nfs/dbraw/zinc/93/20/08/553932008.db2.gz ZFDHVNXXVPOGMI-WRHNGFHOSA-N -1 0 609.704 7.229 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968415 553932467 /nfs/dbraw/zinc/93/24/67/553932467.db2.gz UVXSQHQKPUNBDZ-MHZLTWQESA-N -1 0 631.732 6.182 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000033355649 553935769 /nfs/dbraw/zinc/93/57/69/553935769.db2.gz GMCUHKJVWDYORJ-DWXRJYCRSA-N -1 0 546.601 5.476 50 30 KKEARM CCCCCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000097969064 553936217 /nfs/dbraw/zinc/93/62/17/553936217.db2.gz CLVGOYTWQDGSFZ-UHFFFAOYSA-N -1 0 561.792 8.024 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969138 553936836 /nfs/dbraw/zinc/93/68/36/553936836.db2.gz YGFQPUVYTGIHNR-MRDQGFSESA-N -1 0 603.697 6.475 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969160 553937512 /nfs/dbraw/zinc/93/75/12/553937512.db2.gz VHZWXNNUDXQQAB-SHACYNPGSA-N -1 0 551.451 7.018 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969193 553937770 /nfs/dbraw/zinc/93/77/70/553937770.db2.gz NUSWFWKZBZNRLE-ACSYHNTCSA-N -1 0 662.233 8.159 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000097969195 553937939 /nfs/dbraw/zinc/93/79/39/553937939.db2.gz NHCBURMNTGGNEM-QFIPXVFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969242 553938393 /nfs/dbraw/zinc/93/83/93/553938393.db2.gz LIFASENJOXSXRD-MUUNZHRXSA-N -1 0 621.111 7.081 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969235 553938424 /nfs/dbraw/zinc/93/84/24/553938424.db2.gz DQYIJPVUNOQTFJ-LMKMVOKYSA-N -1 0 634.135 6.377 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969248 553938674 /nfs/dbraw/zinc/93/86/74/553938674.db2.gz ZBUKCLLNIIMZIB-GYCJOSAFSA-N -1 0 576.099 6.590 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969264 553938776 /nfs/dbraw/zinc/93/87/76/553938776.db2.gz FLXMOMVRKGMXGF-ONOMSOESSA-N -1 0 627.788 7.506 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969339 553939683 /nfs/dbraw/zinc/93/96/83/553939683.db2.gz WHQXNSFCKMKFMA-UZTOHYMASA-N -1 0 597.718 6.502 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969360 553940053 /nfs/dbraw/zinc/94/00/53/553940053.db2.gz VUOXJNAFLMSOLU-ZLOXQWCVSA-N -1 0 581.875 6.819 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969649 553943449 /nfs/dbraw/zinc/94/34/49/553943449.db2.gz VLCALTNROZAOOJ-CPJLOUKISA-N -1 0 606.125 6.599 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097969739 553944210 /nfs/dbraw/zinc/94/42/10/553944210.db2.gz IMYHRWMRZRXYRP-SANMLTNESA-N -1 0 577.058 6.683 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969896 553946349 /nfs/dbraw/zinc/94/63/49/553946349.db2.gz PXQLJGLLPHLVNG-JYRCXFKTSA-N -1 0 605.112 7.244 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969888 553946442 /nfs/dbraw/zinc/94/64/42/553946442.db2.gz CQFCLHSSESUYOL-JCOAXYOVSA-N -1 0 689.831 7.899 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969924 553946872 /nfs/dbraw/zinc/94/68/72/553946872.db2.gz FGLZXLOMFNFYIO-WJOKGBTCSA-N -1 0 655.128 7.482 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969935 553947224 /nfs/dbraw/zinc/94/72/24/553947224.db2.gz QPJGNPJEKWYLAM-CPJLOUKISA-N -1 0 617.680 5.862 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969982 553947725 /nfs/dbraw/zinc/94/77/25/553947725.db2.gz RCOBNQPAPRVFCU-LJAQVGFWSA-N -1 0 616.692 6.293 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970053 553948722 /nfs/dbraw/zinc/94/87/22/553948722.db2.gz PYXPWTNMGLEOJT-KATKFWMUSA-N -1 0 726.276 8.568 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970069 553948996 /nfs/dbraw/zinc/94/89/96/553948996.db2.gz SBZKPZYBOOEQJZ-RUZDIDTESA-N -1 0 592.670 5.751 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970061 553949004 /nfs/dbraw/zinc/94/90/04/553949004.db2.gz NNCXIDOEKGINQL-DWXRJYCRSA-N -1 0 613.717 6.032 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970055 553949125 /nfs/dbraw/zinc/94/91/25/553949125.db2.gz PYXPWTNMGLEOJT-NBLPZQPVSA-N -1 0 726.276 8.568 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970087 553949486 /nfs/dbraw/zinc/94/94/86/553949486.db2.gz ZNGDINUGIZESKQ-SLQAJWMNSA-N -1 0 649.750 6.877 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970130 553949856 /nfs/dbraw/zinc/94/98/56/553949856.db2.gz ONKZPVFBTYSEJA-RUZDIDTESA-N -1 0 608.669 5.370 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970192 553950832 /nfs/dbraw/zinc/95/08/32/553950832.db2.gz OHNHVGRDRMNJPG-ROTAYESASA-N -1 0 689.831 8.044 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970275 553951979 /nfs/dbraw/zinc/95/19/79/553951979.db2.gz MTYVHPYZCRALDK-XMMPIXPASA-N -1 0 578.643 5.361 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970292 553951993 /nfs/dbraw/zinc/95/19/93/553951993.db2.gz CBWHGNCIVAOMEX-WRGVRERRSA-N -1 0 654.741 6.712 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970277 553952097 /nfs/dbraw/zinc/95/20/97/553952097.db2.gz YLDPHRORZTYZJW-CPJLOUKISA-N -1 0 606.125 6.599 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970291 553952101 /nfs/dbraw/zinc/95/21/01/553952101.db2.gz CBWHGNCIVAOMEX-WENCNXQZSA-N -1 0 654.741 6.712 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097970440 553954044 /nfs/dbraw/zinc/95/40/44/553954044.db2.gz IOAKEVYSVCTVOI-JLCFBVMHSA-N -1 0 551.020 5.554 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970454 553954165 /nfs/dbraw/zinc/95/41/65/553954165.db2.gz ZBRAWKBUSFEZJG-APYJYERMSA-N -1 0 663.821 8.269 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970534 553955418 /nfs/dbraw/zinc/95/54/18/553955418.db2.gz AZYXLUOLMQKORJ-GKVSMKOHSA-N -1 0 590.126 6.899 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970535 553955433 /nfs/dbraw/zinc/95/54/33/553955433.db2.gz AZYXLUOLMQKORJ-NSYGIPOTSA-N -1 0 590.126 6.899 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970634 553956851 /nfs/dbraw/zinc/95/68/51/553956851.db2.gz VXGNNTJHKOGTDX-LBEKAKSKSA-N -1 0 619.139 7.634 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970719 553958023 /nfs/dbraw/zinc/95/80/23/553958023.db2.gz IETXFNQHGFZMEB-BGOLNKOXSA-N -1 0 706.286 8.414 50 30 KKEARM CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999861 554046479 /nfs/dbraw/zinc/04/64/79/554046479.db2.gz PVDPLAQFKGFUOT-IMSFFZSHSA-N -1 0 665.186 8.392 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046421 554138637 /nfs/dbraw/zinc/13/86/37/554138637.db2.gz JYQUKYTWDWPACZ-MHZLTWQESA-N -1 0 647.775 6.818 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046448 554138881 /nfs/dbraw/zinc/13/88/81/554138881.db2.gz RWADBTBLJYDAJW-HHHXNRCGSA-N -1 0 617.749 6.809 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046446 554138949 /nfs/dbraw/zinc/13/89/49/554138949.db2.gz UWIOTSMTBNZJGQ-RUZDIDTESA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046441 554139011 /nfs/dbraw/zinc/13/90/11/554139011.db2.gz VRLKEJUDBJXTGW-VWLOTQADSA-N -1 0 592.142 7.446 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046476 554139442 /nfs/dbraw/zinc/13/94/42/554139442.db2.gz PJRXDMCHOQGXSN-MUUNZHRXSA-N -1 0 634.223 8.569 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046465 554139469 /nfs/dbraw/zinc/13/94/69/554139469.db2.gz UDWFTYBFHIJQSP-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046459 554139475 /nfs/dbraw/zinc/13/94/75/554139475.db2.gz ZRBUZNOTBQPFLT-VWLOTQADSA-N -1 0 626.587 8.099 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046487 554139783 /nfs/dbraw/zinc/13/97/83/554139783.db2.gz BHSWADAYPFUYAB-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046512 554139887 /nfs/dbraw/zinc/13/98/87/554139887.db2.gz UBERUCBECIRDFP-UUWRZZSWSA-N -1 0 719.816 8.502 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046489 554139918 /nfs/dbraw/zinc/13/99/18/554139918.db2.gz OUQOFPSDJZHCRF-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098046515 554140180 /nfs/dbraw/zinc/14/01/80/554140180.db2.gz MUWOEAFZDYTSRQ-XIFFEERXSA-N -1 0 689.790 8.493 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000098046533 554140213 /nfs/dbraw/zinc/14/02/13/554140213.db2.gz CYDPTUQBZATDPX-HSZRJFAPSA-N -1 0 560.056 7.013 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046613 554141573 /nfs/dbraw/zinc/14/15/73/554141573.db2.gz DYQYLAWTNSIDDT-VWLOTQADSA-N -1 0 563.031 6.293 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098046606 554141600 /nfs/dbraw/zinc/14/16/00/554141600.db2.gz LDIRBSHYRDEFTB-WJOKGBTCSA-N -1 0 665.793 7.717 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3sc(C)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098046635 554142031 /nfs/dbraw/zinc/14/20/31/554142031.db2.gz KFNCXUVETPSIQY-HXUWFJFHSA-N -1 0 585.132 6.349 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000098046679 554142250 /nfs/dbraw/zinc/14/22/50/554142250.db2.gz GFVGAYVZBXPFDZ-AREMUKBSSA-N -1 0 556.615 6.464 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccs3)cc2)c1 ZINC000098046694 554142311 /nfs/dbraw/zinc/14/23/11/554142311.db2.gz BNOGQYXQNXVPLQ-HKBQPEDESA-N -1 0 661.830 8.715 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000098046688 554142393 /nfs/dbraw/zinc/14/23/93/554142393.db2.gz VBTAZKLZFPNRGT-DEOSSOPVSA-N -1 0 576.472 6.279 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccs3)cc2)c1 ZINC000098046691 554142433 /nfs/dbraw/zinc/14/24/33/554142433.db2.gz DJYYNCKXJGUTJD-HHHXNRCGSA-N -1 0 629.760 7.701 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046844 554143979 /nfs/dbraw/zinc/14/39/79/554143979.db2.gz SEHPMFUPYZCRGY-JOCHJYFZSA-N -1 0 584.506 6.929 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000098046839 554144083 /nfs/dbraw/zinc/14/40/83/554144083.db2.gz OYVCLBXXSYSBLJ-NRFANRHFSA-N -1 0 535.050 5.970 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098047113 554146709 /nfs/dbraw/zinc/14/67/09/554146709.db2.gz CJBXLGJUVNFBIR-HSZRJFAPSA-N -1 0 640.493 5.738 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047227 554147919 /nfs/dbraw/zinc/14/79/19/554147919.db2.gz HHCCRBNIIYFGEB-HHHXNRCGSA-N -1 0 613.692 6.928 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047252 554148488 /nfs/dbraw/zinc/14/84/88/554148488.db2.gz JHTXQQZOFZFUEC-HKBQPEDESA-N -1 0 683.783 7.657 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047284 554148762 /nfs/dbraw/zinc/14/87/62/554148762.db2.gz BFOOZKOCHZIXNQ-VWLOTQADSA-N -1 0 564.660 6.023 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047291 554148867 /nfs/dbraw/zinc/14/88/67/554148867.db2.gz AMHBIZMLTJHBLX-RUZDIDTESA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047319 554149295 /nfs/dbraw/zinc/14/92/95/554149295.db2.gz MIDRSQXRZLUJEJ-WJOKGBTCSA-N -1 0 667.809 7.963 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047303 554149316 /nfs/dbraw/zinc/14/93/16/554149316.db2.gz XAUWZAGFBMSTPL-MUUNZHRXSA-N -1 0 641.727 6.498 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047320 554149360 /nfs/dbraw/zinc/14/93/60/554149360.db2.gz MIDRSQXRZLUJEJ-HKBQPEDESA-N -1 0 667.809 7.963 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047355 554149657 /nfs/dbraw/zinc/14/96/57/554149657.db2.gz BTUNLMXEQCCSDI-SANMLTNESA-N -1 0 622.168 7.454 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047336 554149679 /nfs/dbraw/zinc/14/96/79/554149679.db2.gz DZRXDZCNOZGFGQ-XMMPIXPASA-N -1 0 576.675 6.326 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047376 554150166 /nfs/dbraw/zinc/15/01/66/554150166.db2.gz KQVVRADDHXGCDY-RUZDIDTESA-N -1 0 557.697 6.792 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000098047436 554150863 /nfs/dbraw/zinc/15/08/63/554150863.db2.gz AHYSEZJPKNJQPG-HSZRJFAPSA-N -1 0 550.608 5.814 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000098047437 554150918 /nfs/dbraw/zinc/15/09/18/554150918.db2.gz AHYSEZJPKNJQPG-QHCPKHFHSA-N -1 0 550.608 5.814 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098047426 554150995 /nfs/dbraw/zinc/15/09/95/554150995.db2.gz OADQZZKAYRLKLA-SSEXGKCCSA-N -1 0 661.821 8.500 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047494 554151683 /nfs/dbraw/zinc/15/16/83/554151683.db2.gz VKQWAFYUEOPINN-NDEPHWFRSA-N -1 0 649.766 7.339 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047537 554152201 /nfs/dbraw/zinc/15/22/01/554152201.db2.gz VBDBPEGGKXEZRN-MHZLTWQESA-N -1 0 682.220 7.471 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047529 554152328 /nfs/dbraw/zinc/15/23/28/554152328.db2.gz OFXCZIGOWHBDKZ-PMERELPUSA-N -1 0 664.821 7.804 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047589 554153142 /nfs/dbraw/zinc/15/31/42/554153142.db2.gz XDHWVLQDDAYRJA-WJOKGBTCSA-N -1 0 708.302 9.023 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047603 554153633 /nfs/dbraw/zinc/15/36/33/554153633.db2.gz FZTGGSADZSMBOO-MUUNZHRXSA-N -1 0 661.802 7.126 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047616 554153672 /nfs/dbraw/zinc/15/36/72/554153672.db2.gz YVIVCGZVCFXDEV-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047635 554153954 /nfs/dbraw/zinc/15/39/54/554153954.db2.gz CSAOKGVDCGQIPS-MGBGTMOVSA-N -1 0 719.901 9.289 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000098047659 554153976 /nfs/dbraw/zinc/15/39/76/554153976.db2.gz STRUDZQVDCIZJQ-GDLZYMKVSA-N -1 0 648.778 7.334 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047661 554154462 /nfs/dbraw/zinc/15/44/62/554154462.db2.gz PBBXXUPRHCKDOF-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047693 554154527 /nfs/dbraw/zinc/15/45/27/554154527.db2.gz ZWACZXUBVKRNEH-RUZDIDTESA-N -1 0 602.694 6.700 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047713 554155067 /nfs/dbraw/zinc/15/50/67/554155067.db2.gz IMUACJDCDWPGHH-GDLZYMKVSA-N -1 0 639.730 7.479 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047743 554155445 /nfs/dbraw/zinc/15/54/45/554155445.db2.gz DFWIALPNXZDINP-MUUNZHRXSA-N -1 0 611.720 7.477 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000098047766 554155833 /nfs/dbraw/zinc/15/58/33/554155833.db2.gz YJCFYJJCCXHLKF-MHZLTWQESA-N -1 0 674.598 7.546 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000098047769 554155867 /nfs/dbraw/zinc/15/58/67/554155867.db2.gz IMHXQFBGSPJKRP-HHHXNRCGSA-N -1 0 720.623 7.260 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047809 554156146 /nfs/dbraw/zinc/15/61/46/554156146.db2.gz SJGNNKGEGCXORP-UUWRZZSWSA-N -1 0 701.826 8.363 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc(Br)c1O ZINC000098047838 554156618 /nfs/dbraw/zinc/15/66/18/554156618.db2.gz IQFHAXNJYHUZDO-SANMLTNESA-N -1 0 692.588 7.691 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1OC ZINC000098047856 554157036 /nfs/dbraw/zinc/15/70/36/554157036.db2.gz ZUPDUKMJXVVJIK-VWLOTQADSA-N -1 0 601.731 6.845 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000098047903 554157262 /nfs/dbraw/zinc/15/72/62/554157262.db2.gz XJQSANLZXQUXJS-AREMUKBSSA-N -1 0 602.112 7.867 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047892 554157312 /nfs/dbraw/zinc/15/73/12/554157312.db2.gz BADJKFCGQCSIHM-VWLOTQADSA-N -1 0 599.621 5.817 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1F ZINC000098047920 554157721 /nfs/dbraw/zinc/15/77/21/554157721.db2.gz BMWNNZGJURYUGW-VWLOTQADSA-N -1 0 568.655 6.609 50 30 KKEARM CO[C@H]1CC([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047980 554158280 /nfs/dbraw/zinc/15/82/80/554158280.db2.gz SNHNMELEUNXBRP-FXAWDEMLSA-N -1 0 539.660 5.089 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000098048012 554158411 /nfs/dbraw/zinc/15/84/11/554158411.db2.gz MUUKNVUYNRZTPB-AREMUKBSSA-N -1 0 542.613 5.918 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000100005528 554178037 /nfs/dbraw/zinc/17/80/37/554178037.db2.gz PFZCQGZWIAOGTE-BYNJWEBRSA-N -1 0 532.423 6.556 50 30 KKEARM CCCCCCCCCCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000100011963 554181044 /nfs/dbraw/zinc/18/10/44/554181044.db2.gz PVOLXHPPTSGWIX-NDEPHWFRSA-N -1 0 511.728 7.632 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000100025161 554183292 /nfs/dbraw/zinc/18/32/92/554183292.db2.gz MFIWLQLLWGTGKD-OPEKNORGSA-N -1 0 506.160 6.677 50 30 KKEARM CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4ccccc4C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000100039626 554191995 /nfs/dbraw/zinc/19/19/95/554191995.db2.gz WGMXUWPLROIYEX-YUDSARSASA-N -1 0 542.591 5.737 50 30 KKEARM CCCCCCCCCCCCCOC(=O)C[C@H](C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-] ZINC000100049315 554194318 /nfs/dbraw/zinc/19/43/18/554194318.db2.gz ICAXUQIEOXHXKK-MUUNZHRXSA-N -1 0 562.854 8.341 50 30 KKEARM CC1(C)CC(=O)C(C(c2cc(Br)c([O-])c(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100056001 554196502 /nfs/dbraw/zinc/19/65/02/554196502.db2.gz FRCPARPUBOWRIS-SFHVURJKSA-N -1 0 542.264 5.776 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100105679 554220535 /nfs/dbraw/zinc/22/05/35/554220535.db2.gz UYPUUMWCYVCAEB-SYEIVFNPSA-N -1 0 559.978 5.713 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100149682 554231311 /nfs/dbraw/zinc/23/13/11/554231311.db2.gz UIQYQBXYKFMUEU-JJIBRWJFSA-N -1 0 519.222 5.526 50 30 KKEARM C#CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000100167080 554237061 /nfs/dbraw/zinc/23/70/61/554237061.db2.gz SISNLBOCKRWRIW-UHFFFAOYSA-N -1 0 540.056 5.521 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000100226802 554253579 /nfs/dbraw/zinc/25/35/79/554253579.db2.gz GAUXBSWAKJJNBB-XIFFEERXSA-N -1 0 592.821 8.356 50 30 KKEARM CCCCCCCCCCCC(=O)Nc1cc2c(cc1OC)nc(-c1ccc(OC)cc1)cc2C(=O)[O-] ZINC000100249859 554261993 /nfs/dbraw/zinc/26/19/93/554261993.db2.gz RCTYOLCJPXRYAI-UHFFFAOYSA-N -1 0 506.643 7.477 50 30 KKEARM COc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100276110 554272820 /nfs/dbraw/zinc/27/28/20/554272820.db2.gz NPIYSQWQBLGPEN-PEJTXYKLSA-N -1 0 557.628 5.495 50 30 KKEARM C=CCOc1cc(Br)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC ZINC000100320603 554304761 /nfs/dbraw/zinc/30/47/61/554304761.db2.gz DLKKEVWATQDAJY-MSXFZWOLSA-N -1 0 591.502 6.157 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053306038 554333278 /nfs/dbraw/zinc/33/32/78/554333278.db2.gz WMCIQIAIJPBRHJ-FQEVSTJZSA-N -1 0 561.443 6.035 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053307319 554334964 /nfs/dbraw/zinc/33/49/64/554334964.db2.gz UEWVPLYATWSAPW-QFIPXVFZSA-N -1 0 519.966 6.258 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053307658 554335042 /nfs/dbraw/zinc/33/50/42/554335042.db2.gz GLAKJDHFEJCFEJ-JOCHJYFZSA-N -1 0 525.413 6.785 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000053308032 554335363 /nfs/dbraw/zinc/33/53/63/554335363.db2.gz RIPKKAHNVKIWPU-JOCHJYFZSA-N -1 0 525.399 5.916 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319219 554336653 /nfs/dbraw/zinc/33/66/53/554336653.db2.gz HFNLPKIVWLUQSK-JOCHJYFZSA-N -1 0 535.419 6.240 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000053319275 554336849 /nfs/dbraw/zinc/33/68/49/554336849.db2.gz GPKIBOUVZHBJKU-FQEVSTJZSA-N -1 0 526.343 5.426 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000053319434 554337837 /nfs/dbraw/zinc/33/78/37/554337837.db2.gz VYQOMMAJMRTHAE-VWLOTQADSA-N -1 0 543.601 5.231 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053319481 554338364 /nfs/dbraw/zinc/33/83/64/554338364.db2.gz UNGHTZTZEGODCR-OAQYLSRUSA-N -1 0 551.577 5.025 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053332888 554339324 /nfs/dbraw/zinc/33/93/24/554339324.db2.gz BCXKJKDPMIIDIU-MQNRADLISA-N -1 0 547.032 6.455 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334163 554340167 /nfs/dbraw/zinc/34/01/67/554340167.db2.gz JJHBEKJZBAITEQ-XMMPIXPASA-N -1 0 595.029 5.530 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053334844 554340210 /nfs/dbraw/zinc/34/02/10/554340210.db2.gz RBUXLOJJJWVURK-HSZRJFAPSA-N -1 0 565.445 6.167 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334872 554340673 /nfs/dbraw/zinc/34/06/73/554340673.db2.gz FBPLCFWUZIQWGS-PWECECGKSA-N -1 0 593.057 6.082 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000053335191 554340738 /nfs/dbraw/zinc/34/07/38/554340738.db2.gz QRUCWGBDRFNKLQ-ZLOXQWCVSA-N -1 0 565.420 6.304 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053335132 554340759 /nfs/dbraw/zinc/34/07/59/554340759.db2.gz UXNXECJAXBITRD-QHCPKHFHSA-N -1 0 562.987 5.290 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336023 554341514 /nfs/dbraw/zinc/34/15/14/554341514.db2.gz BTXOEIXWXPHJRF-VWLOTQADSA-N -1 0 561.015 6.069 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053336478 554341701 /nfs/dbraw/zinc/34/17/01/554341701.db2.gz DURRCBRGTBIONN-SHACYNPGSA-N -1 0 577.456 6.174 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053337171 554342115 /nfs/dbraw/zinc/34/21/15/554342115.db2.gz PLOGEIUYRZOVGW-JOCHJYFZSA-N -1 0 573.841 6.811 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000053338016 554342379 /nfs/dbraw/zinc/34/23/79/554342379.db2.gz IDGLNFINIHJRHM-JOCHJYFZSA-N -1 0 541.398 5.535 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000053338012 554342502 /nfs/dbraw/zinc/34/25/02/554342502.db2.gz IDGLNFINIHJRHM-QFIPXVFZSA-N -1 0 541.398 5.535 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053337781 554342514 /nfs/dbraw/zinc/34/25/14/554342514.db2.gz RMGZZLLWMXSHGH-XMMPIXPASA-N -1 0 583.449 6.556 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000053338358 554342679 /nfs/dbraw/zinc/34/26/79/554342679.db2.gz PQBQJRXTCXAMDG-FQEVSTJZSA-N -1 0 558.182 5.903 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053339748 554343912 /nfs/dbraw/zinc/34/39/12/554343912.db2.gz XNIGJGAWZCGMHS-NRFANRHFSA-N -1 0 539.382 5.989 50 30 KKEARM CC(C)(C)c1ccc(O)c(/N=C/c2cc(I)cc(I)c2[O-])c1 ZINC000100368518 554354459 /nfs/dbraw/zinc/35/44/59/554354459.db2.gz NEUFTQDIGCJOID-AWQFTUOYSA-N -1 0 521.136 5.355 50 30 KKEARM CCCCCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000058992825 554371551 /nfs/dbraw/zinc/37/15/51/554371551.db2.gz IDISFXJRBVUYNA-YUYWZBKDSA-N -1 0 570.661 7.160 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])c1)c1ccc(Cl)cc1Cl ZINC000100457738 554397260 /nfs/dbraw/zinc/39/72/60/554397260.db2.gz SNYQMVWDWYVTLQ-IBBHUPRXSA-N -1 0 554.817 7.854 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059595960 554408600 /nfs/dbraw/zinc/40/86/00/554408600.db2.gz QTJIQAZNCSNGEQ-HFJWLAOPSA-N -1 0 530.533 5.007 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H](CC(=O)C=C1NN(c2ccccc2)C(=O)C1(Cl)Cl)C(=O)[O-] ZINC000100663512 554439355 /nfs/dbraw/zinc/43/93/55/554439355.db2.gz PXJUPOIBJZNVCK-AREMUKBSSA-N -1 0 595.652 9.265 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)C=C1NN(c2ccccc2)C(=O)C1(Cl)Cl)C(=O)[O-] ZINC000100663514 554439413 /nfs/dbraw/zinc/43/94/13/554439413.db2.gz PXJUPOIBJZNVCK-SANMLTNESA-N -1 0 595.652 9.265 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100677317 554444729 /nfs/dbraw/zinc/44/47/29/554444729.db2.gz QUVIUIJPRNAAHF-QHCPKHFHSA-N -1 0 550.633 5.599 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100677767 554444993 /nfs/dbraw/zinc/44/49/93/554444993.db2.gz IGEXOAORPFQNFF-SANMLTNESA-N -1 0 608.713 6.387 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679942 554446036 /nfs/dbraw/zinc/44/60/36/554446036.db2.gz GPHVIAZOOPJJOW-SANMLTNESA-N -1 0 606.697 6.163 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100679966 554446137 /nfs/dbraw/zinc/44/61/37/554446137.db2.gz VNFHOLGWEJBYNR-NDEPHWFRSA-N -1 0 612.704 7.382 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679929 554446186 /nfs/dbraw/zinc/44/61/86/554446186.db2.gz RNWKDQAOGXNEBQ-MUUNZHRXSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000100680297 554446309 /nfs/dbraw/zinc/44/63/09/554446309.db2.gz DYHKJSMVLKHGAG-RUZDIDTESA-N -1 0 578.687 6.379 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000100680354 554446546 /nfs/dbraw/zinc/44/65/46/554446546.db2.gz HTBDVYSNJINQDJ-QHCPKHFHSA-N -1 0 550.608 5.895 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100680696 554446671 /nfs/dbraw/zinc/44/66/71/554446671.db2.gz XOTKHTWPLMAYDV-OAQYLSRUSA-N -1 0 541.025 5.853 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000100680679 554446708 /nfs/dbraw/zinc/44/67/08/554446708.db2.gz FWEPEOVLKCMWGL-VWLOTQADSA-N -1 0 592.670 5.860 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100680999 554446714 /nfs/dbraw/zinc/44/67/14/554446714.db2.gz QKAMEWXTXKWXST-LJQANCHMSA-N -1 0 559.413 5.621 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2)nc1C ZINC000100681006 554447205 /nfs/dbraw/zinc/44/72/05/554447205.db2.gz OSPOFSSSJOXANJ-QHCPKHFHSA-N -1 0 532.618 5.756 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736779 554461237 /nfs/dbraw/zinc/46/12/37/554461237.db2.gz UHDUAXGXKMJFAF-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)C(C(=O)OCC)=C(C)[O-] ZINC000100740184 554462883 /nfs/dbraw/zinc/46/28/83/554462883.db2.gz DLMPGXNICRORFT-LJAQVGFWSA-N -1 0 502.736 8.278 50 30 KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](Oc5ccccc5C(=O)[O-])CC[C@]43C)[C@H]2C1 ZINC000100771294 554471228 /nfs/dbraw/zinc/47/12/28/554471228.db2.gz LNZWDWPFTHLSHQ-FMLFZPPCSA-N -1 0 604.828 8.286 50 30 biogenic KKEARM CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100941423 554532578 /nfs/dbraw/zinc/53/25/78/554532578.db2.gz YIRILQGFPFDUIG-UPRWZXEUSA-N -1 0 513.402 6.504 50 30 KKEARM CC(C)(C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575248 554540270 /nfs/dbraw/zinc/54/02/70/554540270.db2.gz JJLDWLCWELVYPH-UHFFFAOYSA-N -1 0 519.195 5.911 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccccc2Cl)no1 ZINC000101062663 554570626 /nfs/dbraw/zinc/57/06/26/554570626.db2.gz FMLJJOKGFCAXID-NHFXJNLRSA-N -1 0 515.791 6.014 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069864 554574447 /nfs/dbraw/zinc/57/44/47/554574447.db2.gz SMIIQULQUUOUTA-LFVOPCPISA-N -1 0 513.344 5.726 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069942 554574612 /nfs/dbraw/zinc/57/46/12/554574612.db2.gz NWNQWXHPGZIJCY-NHFXJNLRSA-N -1 0 502.286 6.094 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101072816 554576621 /nfs/dbraw/zinc/57/66/21/554576621.db2.gz KFGQBQRKMSZQGW-NHFXJNLRSA-N -1 0 570.262 6.448 50 30 KKEARM O=C([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)ccc1Cl ZINC000101090484 554581911 /nfs/dbraw/zinc/58/19/11/554581911.db2.gz NCUWQDYBTCIACW-MUFRIFMGSA-N -1 0 525.956 6.416 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc(F)cc1 ZINC000101100218 554587137 /nfs/dbraw/zinc/58/71/37/554587137.db2.gz QXRLGRPRXXSOIQ-NHFXJNLRSA-N -1 0 527.346 5.963 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1cccs1 ZINC000101101551 554638855 /nfs/dbraw/zinc/63/88/55/554638855.db2.gz LDIZEPZCYOWGRB-SELCWUDQSA-N -1 0 515.385 5.886 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000101277372 554703539 /nfs/dbraw/zinc/70/35/39/554703539.db2.gz DMHIXOCMQRRWGH-SBXHHDGASA-N -1 0 578.643 5.145 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000101277942 554704159 /nfs/dbraw/zinc/70/41/59/554704159.db2.gz GYSLBCUTRVVMTG-UUALVTFQSA-N -1 0 598.652 6.447 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000101278205 554704764 /nfs/dbraw/zinc/70/47/64/554704764.db2.gz SVXBLDUZODXGHK-MRJHHRETSA-N -1 0 583.460 5.500 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000101347442 554737674 /nfs/dbraw/zinc/73/76/74/554737674.db2.gz LVLWDQYQRYTGAH-BZQUYTCOSA-N -1 0 557.584 5.710 50 30 KKEARM O=c1c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101427895 554769334 /nfs/dbraw/zinc/76/93/34/554769334.db2.gz MPLVIKCZHTYHJB-SLMZUGIISA-N -1 0 547.394 5.700 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)c([N+](=O)[O-])c4)c3=O)n2)cc1 ZINC000101437256 554772282 /nfs/dbraw/zinc/77/22/82/554772282.db2.gz SUVIRSSLCQRHGW-OLFWJLLRSA-N -1 0 557.548 5.163 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4Cl)NC3=O)cc2Br)cc1 ZINC000101633922 554812419 /nfs/dbraw/zinc/81/24/19/554812419.db2.gz NXAPPNYETDBOIB-JAIQZWGSSA-N -1 0 578.271 6.925 50 30 KKEARM COc1cc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000102052517 554871634 /nfs/dbraw/zinc/87/16/34/554871634.db2.gz YFHKWXPFSVTGQS-CRYYWNKWSA-N -1 0 571.655 5.924 50 30 KKEARM COc1ccc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000102052913 554872077 /nfs/dbraw/zinc/87/20/77/554872077.db2.gz GFMFWUBMRFOKIA-XGCWNURASA-N -1 0 541.629 5.916 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1O ZINC000102053127 554872083 /nfs/dbraw/zinc/87/20/83/554872083.db2.gz XWVADTJDMFBOQW-MRDQGFSESA-N -1 0 527.602 5.613 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053293 554872110 /nfs/dbraw/zinc/87/21/10/554872110.db2.gz SBKKXDRXMGLBPF-OYLFLEFRSA-N -1 0 550.467 7.205 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000102053154 554872112 /nfs/dbraw/zinc/87/21/12/554872112.db2.gz HIWWXBLNAYZBLA-MYUZEXMDSA-N -1 0 541.629 5.916 50 30 KKEARM COc1ccc(OC)c([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000102052932 554872143 /nfs/dbraw/zinc/87/21/43/554872143.db2.gz GFMFWUBMRFOKIA-SOKVYYICSA-N -1 0 541.629 5.916 50 30 KKEARM CCCCCCCCCCCCCCCCCCn1c2ccc(S(=O)(=O)[O-])cc2nc1-c1ccc2ccccc2c1O ZINC000102054390 554872432 /nfs/dbraw/zinc/87/24/32/554872432.db2.gz DRQKXDPEQDMJLI-UHFFFAOYSA-N -1 0 592.846 10.070 50 30 KKEARM N#C[C@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102071787 554873568 /nfs/dbraw/zinc/87/35/68/554873568.db2.gz PNWGDFJSFHZKND-OEMFJLHTSA-N -1 0 570.472 5.349 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175788 554892313 /nfs/dbraw/zinc/89/23/13/554892313.db2.gz XPXUFOMOANETTO-SANMLTNESA-N -1 0 557.628 5.621 50 30 KKEARM CCCCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000102261421 554905136 /nfs/dbraw/zinc/90/51/36/554905136.db2.gz DXFKWKVFXZYZRG-UHFFFAOYSA-N -1 0 547.765 7.634 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(/C(C)=N\N=c2/sc3ccccc3n2C)cc1S(=O)(=O)[O-] ZINC000102313215 554910239 /nfs/dbraw/zinc/91/02/39/554910239.db2.gz UOUWQJYXSORSKP-XLCCRHHHSA-N -1 0 601.879 8.672 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102486623 554938455 /nfs/dbraw/zinc/93/84/55/554938455.db2.gz YWEYECSHNIXHMA-AYWGPLOBSA-N -1 0 596.042 5.472 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102502542 554943768 /nfs/dbraw/zinc/94/37/68/554943768.db2.gz PQIDZPZJRUINRS-HOGKFDNTSA-N -1 0 555.052 6.004 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511083 554946149 /nfs/dbraw/zinc/94/61/49/554946149.db2.gz SIWCFDGZEIPOHC-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102511378 554946163 /nfs/dbraw/zinc/94/61/63/554946163.db2.gz DGSMMBFXUXDZHG-JBCNATCCSA-N -1 0 520.588 5.169 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102512483 554946758 /nfs/dbraw/zinc/94/67/58/554946758.db2.gz YMZPRRQSUGVFFL-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102519152 554949319 /nfs/dbraw/zinc/94/93/19/554949319.db2.gz JBVXFGAPAAZEOO-ASBZNUFUSA-N -1 0 515.443 6.908 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102521410 554949613 /nfs/dbraw/zinc/94/96/13/554949613.db2.gz UGLWKISDPAKAFI-GOBJLOIFSA-N -1 0 502.832 5.893 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102521442 554949647 /nfs/dbraw/zinc/94/96/47/554949647.db2.gz YWAQSWVWZOQZJS-HOGKFDNTSA-N -1 0 506.967 5.593 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102520475 554949714 /nfs/dbraw/zinc/94/97/14/554949714.db2.gz BVMBPVKAIIZGMI-IAMBOQNYSA-N -1 0 503.511 5.587 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000102522336 554949914 /nfs/dbraw/zinc/94/99/14/554949914.db2.gz HTCUVWXXKZJUKT-NXLSWJSLSA-N -1 0 518.566 5.859 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102529899 554953472 /nfs/dbraw/zinc/95/34/72/554953472.db2.gz FMXTZSCKNSSJGD-JBCNATCCSA-N -1 0 514.987 5.065 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102538168 554956263 /nfs/dbraw/zinc/95/62/63/554956263.db2.gz GNMUWXMXPVVHRQ-AYWGPLOBSA-N -1 0 565.445 6.092 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102543452 554958086 /nfs/dbraw/zinc/95/80/86/554958086.db2.gz HFQSXWBNDKCOLU-ZHHPLPSFSA-N -1 0 520.538 5.088 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102549335 554961005 /nfs/dbraw/zinc/96/10/05/554961005.db2.gz IABWBCMZBFEZJH-MNOIWJKESA-N -1 0 627.788 7.267 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102558069 554965621 /nfs/dbraw/zinc/96/56/21/554965621.db2.gz WBYWHIBBVMKTGF-WTPDXTQDSA-N -1 0 571.869 7.206 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102558607 554965847 /nfs/dbraw/zinc/96/58/47/554965847.db2.gz QHEKTAGIIFEHHU-MIOXIQPJSA-N -1 0 616.692 6.280 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102559071 554966410 /nfs/dbraw/zinc/96/64/10/554966410.db2.gz KZJNLWQAQIJUTQ-NXLSWJSLSA-N -1 0 542.573 5.268 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102561312 554968254 /nfs/dbraw/zinc/96/82/54/554968254.db2.gz GKFCYGSISOMEGX-LLAWDOGUSA-N -1 0 569.639 5.384 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000102574901 554971325 /nfs/dbraw/zinc/97/13/25/554971325.db2.gz NPXZIRYZKYQURH-ZHHPLPSFSA-N -1 0 513.468 5.358 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102599017 554977502 /nfs/dbraw/zinc/97/75/02/554977502.db2.gz ZDHNJQJDHCTYJO-NPJIAGGLSA-N -1 0 587.679 5.545 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102607181 554979838 /nfs/dbraw/zinc/97/98/38/554979838.db2.gz QLZAZYCRLSAQCF-CZNAVJSXSA-N -1 0 585.707 6.351 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102613413 554982853 /nfs/dbraw/zinc/98/28/53/554982853.db2.gz VANZAGWJSKULGX-MOBKVPTQSA-N -1 0 540.797 5.906 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000102614258 554984012 /nfs/dbraw/zinc/98/40/12/554984012.db2.gz AYCJFSPMBOYRJO-JBCNATCCSA-N -1 0 500.605 5.160 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102618006 554985248 /nfs/dbraw/zinc/98/52/48/554985248.db2.gz GZTAKLYNCQFNEE-ZHHPLPSFSA-N -1 0 594.070 5.587 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102619616 554985995 /nfs/dbraw/zinc/98/59/95/554985995.db2.gz JLVZFHXBCIKDAN-SBXHHDGASA-N -1 0 601.662 5.015 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102624128 554987649 /nfs/dbraw/zinc/98/76/49/554987649.db2.gz LBMAEEKTBSEYBT-AYWGPLOBSA-N -1 0 612.516 6.535 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102627172 554988257 /nfs/dbraw/zinc/98/82/57/554988257.db2.gz SQMXMQUZELFKBI-AYWGPLOBSA-N -1 0 596.061 6.020 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000102644818 554991662 /nfs/dbraw/zinc/99/16/62/554991662.db2.gz UAZDRRZARBCXJA-NPJIAGGLSA-N -1 0 527.602 5.369 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102652347 554996519 /nfs/dbraw/zinc/99/65/19/554996519.db2.gz IHLGVABHKNTKTQ-BBHOXHGRSA-N -1 0 577.634 6.058 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102652981 554996822 /nfs/dbraw/zinc/99/68/22/554996822.db2.gz WONYJSPSLHICTQ-NEMSTITPSA-N -1 0 599.690 5.567 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102654059 554997763 /nfs/dbraw/zinc/99/77/63/554997763.db2.gz OBDJIKCBQWKQNK-AYWGPLOBSA-N -1 0 579.428 5.465 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102654869 554998097 /nfs/dbraw/zinc/99/80/97/554998097.db2.gz ITVQGEYQNUMPBG-XCSSDTEYSA-N -1 0 585.707 6.097 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102677759 555004292 /nfs/dbraw/zinc/00/42/92/555004292.db2.gz NLEDXEDYSGBOAT-KNZGKXHUSA-N -1 0 543.557 5.163 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102692580 555008811 /nfs/dbraw/zinc/00/88/11/555008811.db2.gz FYKZAQOPNAPUOJ-IUKMQXEJSA-N -1 0 536.422 5.405 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102693991 555009508 /nfs/dbraw/zinc/00/95/08/555009508.db2.gz HUYQVKHYDUMYNB-YDJIHCHBSA-N -1 0 509.381 5.841 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102705630 555014409 /nfs/dbraw/zinc/01/44/09/555014409.db2.gz LDCDKMYPDIJAHZ-NPJIAGGLSA-N -1 0 514.603 5.811 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102715979 555018584 /nfs/dbraw/zinc/01/85/84/555018584.db2.gz GUNMZNGXYWSPOT-MOBKVPTQSA-N -1 0 537.410 6.387 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102729132 555023038 /nfs/dbraw/zinc/02/30/38/555023038.db2.gz RTFMBJQPAHNVRN-MRJHHRETSA-N -1 0 523.408 6.149 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102733063 555024426 /nfs/dbraw/zinc/02/44/26/555024426.db2.gz SZIBHDYGKLMGDO-ZHHPLPSFSA-N -1 0 533.447 6.556 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102733239 555024472 /nfs/dbraw/zinc/02/44/72/555024472.db2.gz WXNFOXCFSFWUFY-CJJGVWJISA-N -1 0 544.629 5.901 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736934 555026512 /nfs/dbraw/zinc/02/65/12/555026512.db2.gz FGDSXLUFVPIPLJ-XLNMUAQOSA-N -1 0 547.976 5.808 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771227 555059736 /nfs/dbraw/zinc/05/97/36/555059736.db2.gz AWOWEVPRKZHZJE-FECHNCLXSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771230 555059742 /nfs/dbraw/zinc/05/97/42/555059742.db2.gz AWOWEVPRKZHZJE-XLNMUAQOSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771228 555059749 /nfs/dbraw/zinc/05/97/49/555059749.db2.gz AWOWEVPRKZHZJE-YMCWBSDSSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102771225 555059758 /nfs/dbraw/zinc/05/97/58/555059758.db2.gz AWOWEVPRKZHZJE-KYWXLPDZSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102771460 555060305 /nfs/dbraw/zinc/06/03/05/555060305.db2.gz OMHTWCZUVRDPNT-CIKQMSCWSA-N -1 0 559.644 5.919 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000102771450 555060425 /nfs/dbraw/zinc/06/04/25/555060425.db2.gz NNQBECOHYBXCFG-IIHDFJPDSA-N -1 0 573.671 6.228 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102771458 555060438 /nfs/dbraw/zinc/06/04/38/555060438.db2.gz OMHTWCZUVRDPNT-SOIUSXPSSA-N -1 0 559.644 5.919 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1ccco1 ZINC000102789053 555068480 /nfs/dbraw/zinc/06/84/80/555068480.db2.gz KFQCOHMBQRMZEO-FQEVSTJZSA-N -1 0 606.421 5.567 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102860738 555090891 /nfs/dbraw/zinc/09/08/91/555090891.db2.gz HIXFWJHGZHTPQD-MOBKVPTQSA-N -1 0 538.528 5.227 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102861857 555091889 /nfs/dbraw/zinc/09/18/89/555091889.db2.gz MIAJJMMYMMMJHS-AYWGPLOBSA-N -1 0 531.546 5.238 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102863428 555093279 /nfs/dbraw/zinc/09/32/79/555093279.db2.gz HAMUZUFPOMNCCY-NHFXJNLRSA-N -1 0 561.443 5.878 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102865400 555094824 /nfs/dbraw/zinc/09/48/24/555094824.db2.gz AYQCGZJEZLEEAM-HOGKFDNTSA-N -1 0 522.604 5.400 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102866172 555095560 /nfs/dbraw/zinc/09/55/60/555095560.db2.gz DHUNMJDUVGDAGT-YDJIHCHBSA-N -1 0 514.987 5.065 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102866513 555095796 /nfs/dbraw/zinc/09/57/96/555095796.db2.gz NSMKAMPIHBGLHL-DFXXOVSGSA-N -1 0 513.634 5.940 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102866916 555096400 /nfs/dbraw/zinc/09/64/00/555096400.db2.gz AZDTWPKWAJTXBC-NHFXJNLRSA-N -1 0 508.596 5.453 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000102868204 555097561 /nfs/dbraw/zinc/09/75/61/555097561.db2.gz YFIDOCGIUBQSPN-MOBKVPTQSA-N -1 0 555.052 6.005 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869811 555099549 /nfs/dbraw/zinc/09/95/49/555099549.db2.gz WBBIIJQFWQLFFX-TVXPFAQOSA-N -1 0 603.697 6.318 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102869676 555099569 /nfs/dbraw/zinc/09/95/69/555099569.db2.gz WKBVHZAVEIJZDT-FSISNWKMSA-N -1 0 577.456 6.017 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102870335 555100432 /nfs/dbraw/zinc/10/04/32/555100432.db2.gz ALLZZIQAGJZKAE-DFXXOVSGSA-N -1 0 621.111 6.925 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102872754 555103144 /nfs/dbraw/zinc/10/31/44/555103144.db2.gz XPBLJQYQKAZHAE-NXLSWJSLSA-N -1 0 534.565 5.478 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102875191 555105225 /nfs/dbraw/zinc/10/52/25/555105225.db2.gz YNFCWIWTHXVRDG-NHFXJNLRSA-N -1 0 513.384 5.148 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879026 555108111 /nfs/dbraw/zinc/10/81/11/555108111.db2.gz YADCUVYPBSLMSZ-HOGKFDNTSA-N -1 0 552.630 5.409 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102880015 555108993 /nfs/dbraw/zinc/10/89/93/555108993.db2.gz XXVXMAIWSWJSPK-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881458 555110062 /nfs/dbraw/zinc/11/00/62/555110062.db2.gz CIOLPXJGDCJMBR-AYWGPLOBSA-N -1 0 550.564 5.096 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102883137 555111267 /nfs/dbraw/zinc/11/12/67/555111267.db2.gz JHZFMQZQKOCJDZ-ZHHPLPSFSA-N -1 0 536.993 5.602 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883605 555112129 /nfs/dbraw/zinc/11/21/29/555112129.db2.gz XQEZSZIYNQWNBL-JBCNATCCSA-N -1 0 529.376 6.377 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883736 555112269 /nfs/dbraw/zinc/11/22/69/555112269.db2.gz MEORUSPHMAHIQN-MOBKVPTQSA-N -1 0 535.965 5.883 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1 ZINC000102884621 555113892 /nfs/dbraw/zinc/11/38/92/555113892.db2.gz VYJGSBGMONSYPA-HOGKFDNTSA-N -1 0 503.605 5.422 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102885767 555116133 /nfs/dbraw/zinc/11/61/33/555116133.db2.gz SZFDJMDUYRACEC-ZHHPLPSFSA-N -1 0 565.445 6.011 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102885764 555116145 /nfs/dbraw/zinc/11/61/45/555116145.db2.gz SZFDJMDUYRACEC-AYWGPLOBSA-N -1 0 565.445 6.011 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887142 555118141 /nfs/dbraw/zinc/11/81/41/555118141.db2.gz NYLLOEADLPERFC-AMKIGSDESA-N -1 0 603.697 6.318 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102887215 555118663 /nfs/dbraw/zinc/11/86/63/555118663.db2.gz GOMDOQUDRZSUSY-UUALVTFQSA-N -1 0 614.676 5.856 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102889385 555123462 /nfs/dbraw/zinc/12/34/62/555123462.db2.gz TXISKOCCAGBZAZ-GROYHEBESA-N -1 0 503.363 5.171 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889307 555123480 /nfs/dbraw/zinc/12/34/80/555123480.db2.gz RCMYYDQKANRILW-FWOIGAHVSA-N -1 0 576.602 5.411 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102890352 555125623 /nfs/dbraw/zinc/12/56/23/555125623.db2.gz DSHCOBGEDNIMMA-NXLSWJSLSA-N -1 0 593.455 5.855 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892715 555129035 /nfs/dbraw/zinc/12/90/35/555129035.db2.gz YXHABXSFOQDFLG-GMBUILNLSA-N -1 0 544.560 5.172 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894571 555132444 /nfs/dbraw/zinc/13/24/44/555132444.db2.gz OJGCSHQZMQWPKO-XCSSDTEYSA-N -1 0 585.707 6.179 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102895009 555133581 /nfs/dbraw/zinc/13/35/81/555133581.db2.gz FEPCSFCJEGRKRB-UUALVTFQSA-N -1 0 607.084 6.535 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895423 555134425 /nfs/dbraw/zinc/13/44/25/555134425.db2.gz FQQGDAFKVHBLNE-ROBPHKHBSA-N -1 0 620.724 6.156 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897063 555137175 /nfs/dbraw/zinc/13/71/75/555137175.db2.gz ZHSFQIIDEAFQJI-MWCANZRFSA-N -1 0 571.680 5.789 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896911 555137190 /nfs/dbraw/zinc/13/71/90/555137190.db2.gz SDZPHNYHAHRVTA-WGGXKBPPSA-N -1 0 616.692 6.280 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102897277 555137596 /nfs/dbraw/zinc/13/75/96/555137596.db2.gz JOTNUOQTBSJQTD-NXLSWJSLSA-N -1 0 578.643 5.061 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102899749 555139470 /nfs/dbraw/zinc/13/94/70/555139470.db2.gz WAIVTKKLHZDKHX-CJJGVWJISA-N -1 0 622.696 5.603 50 30 KKEARM COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000102910080 555142445 /nfs/dbraw/zinc/14/24/45/555142445.db2.gz CIFOATLTLCTFQL-BXDIUNCMSA-N -1 0 553.640 5.927 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102928246 555153607 /nfs/dbraw/zinc/15/36/07/555153607.db2.gz VNTQTRXAAIXOAQ-AYWGPLOBSA-N -1 0 520.538 5.088 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929315 555155071 /nfs/dbraw/zinc/15/50/71/555155071.db2.gz UVBZQBPLRATORX-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102930846 555158010 /nfs/dbraw/zinc/15/80/10/555158010.db2.gz ZJLSAINQNGEGIU-RKKARLDVSA-N -1 0 506.898 5.051 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102931541 555159156 /nfs/dbraw/zinc/15/91/56/555159156.db2.gz PLANNKKPWJPESB-MRJHHRETSA-N -1 0 505.508 5.131 50 30 KKEARM C=CCOc1c(Br)c(Br)c(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OCC ZINC000103070018 555250902 /nfs/dbraw/zinc/25/09/02/555250902.db2.gz FJNNGPFEUWXIHD-GZTJUZNOSA-N -1 0 564.230 5.679 50 30 KKEARM COc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103698946 555463861 /nfs/dbraw/zinc/46/38/61/555463861.db2.gz OSNFHLNSUXYCMP-VFHDLGNDSA-N -1 0 548.705 6.910 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(OC(=O)n6ccnc6C)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049803748 562686200 /nfs/dbraw/zinc/68/62/00/562686200.db2.gz RMJBSCQDTVNEAI-JVGAFADDSA-N -1 0 576.778 7.591 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000103929014 571370105 /nfs/dbraw/zinc/37/01/05/571370105.db2.gz VMUUTVRLRWITNF-NHFXJNLRSA-N -1 0 561.443 5.878 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nc(-c3ccc(N(C)C)cc3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000105558202 571407547 /nfs/dbraw/zinc/40/75/47/571407547.db2.gz LOCPQVWYSLKLHK-FQEVSTJZSA-N -1 0 565.721 5.001 50 30 KKEARM COc1cc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150345599 571459908 /nfs/dbraw/zinc/45/99/08/571459908.db2.gz XUGUZBSBUFLANJ-IRZKTLQQSA-N -1 0 626.603 6.806 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cc4ccccc4cc3O)nc2c1 ZINC000150353363 571462686 /nfs/dbraw/zinc/46/26/86/571462686.db2.gz MFIITTNIUCNVDU-KKMKTNMSSA-N -1 0 632.195 7.019 50 30 KKEARM CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)[C@H]3CCC[C@@H]3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)[O-])SC1=S ZINC000150369902 571465710 /nfs/dbraw/zinc/46/57/10/571465710.db2.gz WZGXSNHXTGGEGJ-JZROLELASA-N -1 0 826.122 9.529 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000150391956 571474303 /nfs/dbraw/zinc/47/43/03/571474303.db2.gz DLKSEEIAABETHR-CJJGVWJISA-N -1 0 647.547 6.904 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)C1=CC(=NNc2cc(C(=O)OC)ccc2O)c2ccccc2C1=O ZINC000150393173 571474892 /nfs/dbraw/zinc/47/48/92/571474892.db2.gz KTYHNEMOXSHJAB-QJGAVIKSSA-N -1 0 766.980 12.101 50 30 KKEARM O=C([O-])c1ccc(C(=O)c2c3c(=O)n(-c4cccc(C(=O)/C=C/c5ccccc5)c4)c(=O)c3cc3c(=O)n(-c4cccc(C(=O)/C=C/c5ccccc5)c4)c(=O)c32)cc1 ZINC000150416306 571485769 /nfs/dbraw/zinc/48/57/69/571485769.db2.gz LPOGXZXMCHPKQA-GJHDBBOXSA-N -1 0 776.757 6.612 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422218 571488221 /nfs/dbraw/zinc/48/82/21/571488221.db2.gz VYDIZMCIRGAMGG-QMMFTLRZSA-N -1 0 667.740 6.946 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424447 571489205 /nfs/dbraw/zinc/48/92/05/571489205.db2.gz ALNMPYLJCQPDIK-VEZPTTSMSA-N -1 0 708.258 7.705 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426551 571490916 /nfs/dbraw/zinc/49/09/16/571490916.db2.gz GLFTVGYGNRKUDZ-JFTLGNCFSA-N -1 0 668.580 6.874 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426663 571490986 /nfs/dbraw/zinc/49/09/86/571490986.db2.gz YOZWDEBXMQWRAT-DFXXOVSGSA-N -1 0 651.722 6.168 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150427658 571491716 /nfs/dbraw/zinc/49/17/16/571491716.db2.gz QSUZWZDAXVEFJU-MIOXIQPJSA-N -1 0 642.730 6.549 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000150431425 571493706 /nfs/dbraw/zinc/49/37/06/571493706.db2.gz WWVUDFZEXNEXHX-GDLZYMKVSA-N -1 0 650.794 7.558 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150432751 571494379 /nfs/dbraw/zinc/49/43/79/571494379.db2.gz WHMAPQRSNPEHTO-AREMUKBSSA-N -1 0 638.739 6.252 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150435110 571495233 /nfs/dbraw/zinc/49/52/33/571495233.db2.gz BLRVCSUIXHTBPP-NDEPHWFRSA-N -1 0 627.694 7.992 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435527 571495422 /nfs/dbraw/zinc/49/54/22/571495422.db2.gz LOSQQCCTQRVVIX-HTDBSKDNSA-N -1 0 709.821 7.897 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435465 571495553 /nfs/dbraw/zinc/49/55/53/571495553.db2.gz WCLVVDIDEIZFQI-MFWFGDGVSA-N -1 0 705.858 8.066 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435777 571495867 /nfs/dbraw/zinc/49/58/67/571495867.db2.gz LWLVQFIHHWNNKH-RJIUIVJKSA-N -1 0 707.830 7.514 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150438527 571497099 /nfs/dbraw/zinc/49/70/99/571497099.db2.gz JMDYYXMNXJJJTR-GDLZYMKVSA-N -1 0 692.844 8.216 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439908 571497685 /nfs/dbraw/zinc/49/76/85/571497685.db2.gz VYFRXGUGTUNNRV-DNPZSINUSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440072 571497812 /nfs/dbraw/zinc/49/78/12/571497812.db2.gz IXWKXDUJSMOLAL-JOZOHXTNSA-N -1 0 709.821 7.897 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440078 571497883 /nfs/dbraw/zinc/49/78/83/571497883.db2.gz UYEXYXJSTSWRPN-KFLIVHAJSA-N -1 0 711.793 7.345 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445391 571500353 /nfs/dbraw/zinc/50/03/53/571500353.db2.gz YYLBGXYSIQNAHO-DFXXOVSGSA-N -1 0 658.729 6.168 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445735 571500650 /nfs/dbraw/zinc/50/06/50/571500650.db2.gz QXFMDUZJAZNDKG-LOOKCOSASA-N -1 0 631.751 7.098 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150447008 571501152 /nfs/dbraw/zinc/50/11/52/571501152.db2.gz NKFKFDCYWHCXMT-RUZDIDTESA-N -1 0 638.123 6.618 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000150447238 571501300 /nfs/dbraw/zinc/50/13/00/571501300.db2.gz GQVBCVKBRZEWRI-XMMPIXPASA-N -1 0 642.067 5.338 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150451026 571502676 /nfs/dbraw/zinc/50/26/76/571502676.db2.gz ZCRUSCGXIHJYEY-AHPONGEQSA-N -1 0 646.721 7.544 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457079 571504700 /nfs/dbraw/zinc/50/47/00/571504700.db2.gz LWZQMYQLJRPHKJ-LHKMDIPOSA-N -1 0 659.761 6.883 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457709 571505009 /nfs/dbraw/zinc/50/50/09/571505009.db2.gz MKHIVYJSBDUFCO-VGZNNGDKSA-N -1 0 692.259 8.011 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460620 571506067 /nfs/dbraw/zinc/50/60/67/571506067.db2.gz JKLBPGVAZJASOH-QOISPNJLSA-N -1 0 641.815 7.513 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460647 571506080 /nfs/dbraw/zinc/50/60/80/571506080.db2.gz LXHVFFQYHQIHKY-KARVHLFVSA-N -1 0 707.874 8.511 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461442 571506305 /nfs/dbraw/zinc/50/63/05/571506305.db2.gz NWBXBFHSXWCVNY-DZTJFIFISA-N -1 0 631.751 7.098 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462768 571506700 /nfs/dbraw/zinc/50/67/00/571506700.db2.gz RXELSXPDPPZQLN-RIEKNRFYSA-N -1 0 682.223 8.013 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462750 571506763 /nfs/dbraw/zinc/50/67/63/571506763.db2.gz MBJLCGGBLNTLAV-RIEKNRFYSA-N -1 0 706.286 8.401 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463641 571507223 /nfs/dbraw/zinc/50/72/23/571507223.db2.gz JURGPKJLMVEWAT-NSOCNUKWSA-N -1 0 634.179 7.222 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463644 571507266 /nfs/dbraw/zinc/50/72/66/571507266.db2.gz JURGPKJLMVEWAT-ROBPHKHBSA-N -1 0 634.179 7.222 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465557 571507916 /nfs/dbraw/zinc/50/79/16/571507916.db2.gz LSQFNIMMUNAZDD-JNYBUSFRSA-N -1 0 706.286 8.401 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465545 571507923 /nfs/dbraw/zinc/50/79/23/571507923.db2.gz LSQFNIMMUNAZDD-RIEKNRFYSA-N -1 0 706.286 8.401 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150468000 571508250 /nfs/dbraw/zinc/50/82/50/571508250.db2.gz XAOSUQCKQWYDON-KFLIVHAJSA-N -1 0 679.820 7.950 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150471581 571509496 /nfs/dbraw/zinc/50/94/96/571509496.db2.gz VETUPAJPKBPDAA-TXTDGAROSA-N -1 0 664.205 7.306 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471838 571509684 /nfs/dbraw/zinc/50/96/84/571509684.db2.gz POCQPKNZSQCEOR-VEZPTTSMSA-N -1 0 708.258 7.849 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150472464 571510036 /nfs/dbraw/zinc/51/00/36/571510036.db2.gz DEXMIHRCJXSOCU-ONQGDUAMSA-N -1 0 650.178 7.060 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150472919 571510158 /nfs/dbraw/zinc/51/01/58/571510158.db2.gz OWWMOXSWGKUWEZ-UUALVTFQSA-N -1 0 633.723 6.546 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150474500 571510533 /nfs/dbraw/zinc/51/05/33/571510533.db2.gz RIFRTGGQCDRODE-VEZPTTSMSA-N -1 0 691.803 7.335 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150475678 571510674 /nfs/dbraw/zinc/51/06/74/571510674.db2.gz WCWFRLJDUFKFJF-DFXXOVSGSA-N -1 0 663.749 6.555 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150475096 571510708 /nfs/dbraw/zinc/51/07/08/571510708.db2.gz KWDAQVVVVWFOET-DFXXOVSGSA-N -1 0 645.759 6.415 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481369 571512525 /nfs/dbraw/zinc/51/25/25/571512525.db2.gz IKCPSXMSZSRKNV-IKZPYDRGSA-N -1 0 668.624 7.876 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150483087 571513843 /nfs/dbraw/zinc/51/38/43/571513843.db2.gz GCMDYJPZUKJBDF-VEZPTTSMSA-N -1 0 742.703 8.502 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150486612 571516598 /nfs/dbraw/zinc/51/65/98/571516598.db2.gz IIGAALXFVCEBDG-MIOXIQPJSA-N -1 0 643.787 7.105 50 30 KKEARM CCCCCCCCCCCCCCCc1c/c(=N\NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n(C)cn1 ZINC000198752380 571568870 /nfs/dbraw/zinc/56/88/70/571568870.db2.gz QWIBVWKWCNJTKW-PBBVDAKRSA-N -1 0 534.723 5.252 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](Cc3nc4ccccc4[nH]3)c3ccc(F)cc3)C1=O)O2 ZINC000263585308 572117578 /nfs/dbraw/zinc/11/75/78/572117578.db2.gz HEBGSGPIICTNNX-BOKWSFGISA-N -1 0 581.600 5.158 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](Cc3nc4ccccc4[nH]3)c3ccc(Cl)cc3)C1=O)O2 ZINC000263585894 572120971 /nfs/dbraw/zinc/12/09/71/572120971.db2.gz NQJDRHFYXFAQSM-BOKWSFGISA-N -1 0 598.055 5.672 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(N3CCOCC3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245240422 572213792 /nfs/dbraw/zinc/21/37/92/572213792.db2.gz RKWNQZAGHWKBAH-PRPHEAEJSA-N -1 0 820.933 5.089 50 30 KKEARM CCc1ccccc1N=C1S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000252589156 572266540 /nfs/dbraw/zinc/26/65/40/572266540.db2.gz AHPGMKISSRQKEL-YLOHPIGASA-N -1 0 541.898 7.742 50 30 KKEARM CCc1ccccc1N=C1S/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000252589157 572266548 /nfs/dbraw/zinc/26/65/48/572266548.db2.gz AHPGMKISSRQKEL-ZHXICNOMSA-N -1 0 541.898 7.742 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000252591378 572266694 /nfs/dbraw/zinc/26/66/94/572266694.db2.gz BATJRTKVRNJLLT-UHFFFAOYSA-N -1 0 616.196 7.313 50 30 KKEARM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252598429 572267128 /nfs/dbraw/zinc/26/71/28/572267128.db2.gz DAKGYNXZJJIWPH-QVGCJOEISA-N -1 0 620.294 6.862 50 30 KKEARM CN1C(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252598430 572267180 /nfs/dbraw/zinc/26/71/80/572267180.db2.gz DAKGYNXZJJIWPH-UTVLPUQLSA-N -1 0 620.294 6.862 50 30 KKEARM Cc1ccc(C2N=NC(=S)N2N=Cc2c(Br)cc(Br)c([O-])c2Br)cc1 ZINC000252606292 572267815 /nfs/dbraw/zinc/26/78/15/572267815.db2.gz GQOULIAUMNUIMJ-UHFFFAOYSA-N -1 0 547.070 5.418 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000252610073 572268194 /nfs/dbraw/zinc/26/81/94/572268194.db2.gz HYXNPONUMTVHRR-UHFFFAOYSA-N -1 0 567.414 6.253 50 30 KKEARM CCc1ccc(N=C2S/C(=C\c3cc(Br)c([O-])c(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252611732 572268317 /nfs/dbraw/zinc/26/83/17/572268317.db2.gz IMKSZOXZKGNASH-ODUHAEHHSA-N -1 0 586.349 7.851 50 30 KKEARM CCc1ccccc1N=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000252619470 572269276 /nfs/dbraw/zinc/26/92/76/572269276.db2.gz LQESSZXYFUMSCO-ZHXICNOMSA-N -1 0 586.349 7.851 50 30 KKEARM Cc1ccc2oc(-c3cc(N=Cc4cc(Br)c([O-])c(Br)c4O)ccc3Cl)nc2c1 ZINC000252624132 572270095 /nfs/dbraw/zinc/27/00/95/572270095.db2.gz PHERLOYLBGDWEJ-UHFFFAOYSA-N -1 0 536.607 7.143 50 30 KKEARM CCc1ccc(N=C2S/C(=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252623947 572270115 /nfs/dbraw/zinc/27/01/15/572270115.db2.gz PCTXDOBXJUSXOV-MTSLIZRNSA-N -1 0 552.450 6.996 50 30 KKEARM COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)ccc4O)cc3s2)cc1 ZINC000252626545 572270491 /nfs/dbraw/zinc/27/04/91/572270491.db2.gz RBAOVQXYQWNTCM-UHFFFAOYSA-N -1 0 603.463 5.875 50 30 KKEARM COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)SC1=Nc1ccccc1 ZINC000252630481 572271260 /nfs/dbraw/zinc/27/12/60/572271260.db2.gz VAMIKXKGEJPUIE-NWEZUEQQSA-N -1 0 614.461 5.819 50 30 KKEARM Cc1ccc(N=C2S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252636365 572271847 /nfs/dbraw/zinc/27/18/47/572271847.db2.gz XIHFAPMKZMOLPG-DOUNBTLHSA-N -1 0 565.489 6.955 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000252679240 572281309 /nfs/dbraw/zinc/28/13/09/572281309.db2.gz JWCOSNOSGWGQBB-WOCKNQBSSA-N -1 0 520.670 5.542 50 30 KKEARM COc1ccc([C@@H](CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000253400904 572285129 /nfs/dbraw/zinc/28/51/29/572285129.db2.gz FFDWFYKAHJNHCB-VCORQIIBSA-N -1 0 592.648 5.480 50 30 KKEARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccc4c(c3)OCCO4)C5=O)o2)cc1 ZINC000253407819 572286813 /nfs/dbraw/zinc/28/68/13/572286813.db2.gz KFDMSDYLRRDLBP-QVISHHADSA-N -1 0 536.492 5.473 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](c3ccc(Cl)cc3)C(C)C)C1=O)O2 ZINC000253414407 572288892 /nfs/dbraw/zinc/28/88/92/572288892.db2.gz XKFANHBDNWFFMU-YLAGVEECSA-N -1 0 538.040 5.642 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533124 572299227 /nfs/dbraw/zinc/29/92/27/572299227.db2.gz APYIVIUDKTVWSJ-PZWRLSMJSA-N -1 0 548.724 5.902 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533246 572299285 /nfs/dbraw/zinc/29/92/85/572299285.db2.gz DUFLDRKJKWPJLH-YCYCBSAJSA-N -1 0 570.771 5.692 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533468 572299472 /nfs/dbraw/zinc/29/94/72/572299472.db2.gz LDEPIPTXRUTPCM-OPBZTOAKSA-N -1 0 559.707 5.142 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534113 572299787 /nfs/dbraw/zinc/29/97/87/572299787.db2.gz ZKLSMMQOZBNCNB-OPWLBXEESA-N -1 0 556.744 5.014 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534089 572299806 /nfs/dbraw/zinc/29/98/06/572299806.db2.gz YWLYGSSMGSIXLN-LEGGLBIISA-N -1 0 670.851 5.120 50 30 KKEARM CCCCCCCCCCCCCCCCc1ccc(C(=O)[O-])cc1S(=O)(=O)NN=c1sc2ccc(S(=O)(=O)C(F)F)cc2n1C ZINC000257347700 572320972 /nfs/dbraw/zinc/32/09/72/572320972.db2.gz QVCBSCKXVOVPQN-UHFFFAOYSA-N -1 0 701.924 7.752 50 30 KKEARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000257356100 572321968 /nfs/dbraw/zinc/32/19/68/572321968.db2.gz FTQDJVZNPJRVPG-UDQKLAAESA-N -1 0 512.731 6.983 50 30 KKEARM O=C(/C(=C\c1cc(Br)c([O-])c(Br)c1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000050632331 1069779810 /nfs/dbraw/zinc/77/98/10/1069779810.db2.gz BBIAUVLGTPVPOC-XYOKQWHBSA-N -1 0 504.203 6.279 50 30 KKEARM Cc1cccc(Nc2nc(=NN=Cc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(N3CCC(C)CC3)[nH]2)c1C ZINC000102693536 1069861901 /nfs/dbraw/zinc/86/19/01/1069861901.db2.gz VJXPORWXPYJYNS-LGJNPRDNSA-N -1 0 555.437 5.291 50 30 KKEARM COc1cc(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000098053737 1071164185 /nfs/dbraw/zinc/16/41/85/1071164185.db2.gz ZYGHDBTZLOWLHE-MBHDNXIMSA-N -1 0 501.362 6.329 50 30 KKEARM C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c21 ZINC000217874543 1071292919 /nfs/dbraw/zinc/29/29/19/1071292919.db2.gz CXSDZJAIUFOBNK-GOSISDBHSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1CSCC(=O)[O-] ZINC000102898438 1071304251 /nfs/dbraw/zinc/30/42/51/1071304251.db2.gz DFLGNXHFIPPHIS-QBFSEMIESA-N -1 0 524.598 6.508 50 30 KKEARM COc1ccc(C(C)N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1CSc1ncccn1 ZINC000254400993 1072853121 /nfs/dbraw/zinc/85/31/21/1072853121.db2.gz SPIUVQLAAARBOP-UHFFFAOYSA-N -1 0 594.675 5.331 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc(N=Cc2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 ZINC000254494507 1072859093 /nfs/dbraw/zinc/85/90/93/1072859093.db2.gz VPMVESXXVYKXFC-UHFFFAOYSA-N -1 0 507.656 5.381 50 30 KKEARM COc1ccc2cc(C(C)N=Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[N+](=O)[O-])ccc2c1 ZINC000254744523 1072875156 /nfs/dbraw/zinc/87/51/56/1072875156.db2.gz XLCSURKNPWIHNX-UHFFFAOYSA-N -1 0 520.567 5.402 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc3c(c2)Nc2ccccc2S3)c([N+](=O)[O-])c1 ZINC000254870258 1072887234 /nfs/dbraw/zinc/88/72/34/1072887234.db2.gz RQUDJYYYKRBHBS-UHFFFAOYSA-N -1 0 561.645 6.449 50 30 KKEARM CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2C(=O)C=C2[C@H]4[C@H](C)[C@@H](C)CC[C@@]4(C)CC[C@@]23C)[C@]1(C)C(=O)[O-] ZINC001529382519 1072924447 /nfs/dbraw/zinc/92/44/47/1072924447.db2.gz HMMGKOVEOFBCAU-LSHMGAPYSA-N -1 0 512.731 6.839 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651846 551512972 /nfs/dbraw/zinc/51/29/72/551512972.db2.gz PMVSCENVRKXHOM-URAOTHONSA-N -1 0 515.009 6.414 50 30 KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000000658506 551514664 /nfs/dbraw/zinc/51/46/64/551514664.db2.gz TXLQROMLRQAQOV-LQKURTRISA-N -1 0 550.615 5.515 50 30 KKEARM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2cccc(OCc3cccc4ccccc43)c2)C2=C1CCCC2=O ZINC000000663686 551516574 /nfs/dbraw/zinc/51/65/74/551516574.db2.gz FFESMCNVVOGVSD-UHFFFAOYSA-N -1 0 521.613 6.307 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000000702932 551529852 /nfs/dbraw/zinc/52/98/52/551529852.db2.gz QMQFVLSPXSPSLS-HXUWFJFHSA-N -1 0 527.385 6.490 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000000703137 551530756 /nfs/dbraw/zinc/53/07/56/551530756.db2.gz PZLLSQDSCDPDGB-XMMPIXPASA-N -1 0 514.534 6.363 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000000718045 551534992 /nfs/dbraw/zinc/53/49/92/551534992.db2.gz MJPCQJZPUVXXEX-WRGVRERRSA-N -1 0 514.553 5.600 50 30 KKEARM COc1ccc(-c2cnc(-n3[n-]c(C)c([C@@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)s2)cc1 ZINC000000827880 551545536 /nfs/dbraw/zinc/54/55/36/551545536.db2.gz LHISBPNOHOGIMF-QFIPXVFZSA-N -1 0 520.412 5.576 50 30 KKEARM Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2 ZINC000000910236 551570556 /nfs/dbraw/zinc/57/05/56/551570556.db2.gz PNWOKFNNUJWEBQ-UHFFFAOYSA-N -1 0 533.631 5.112 50 30 KKEARM CN(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3)C2)cc1 ZINC000001245173 551631565 /nfs/dbraw/zinc/63/15/65/551631565.db2.gz SBCDDAWGPSWJFK-UGDMGKLASA-N -1 0 509.606 5.518 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccncc3)C2)cc1 ZINC000001268781 551634397 /nfs/dbraw/zinc/63/43/97/551634397.db2.gz ONZSTRMVESGJJF-WKRVVKTRSA-N -1 0 523.633 6.145 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321713 551641779 /nfs/dbraw/zinc/64/17/79/551641779.db2.gz KDEJRUYPPHGUQM-WKRVVKTRSA-N -1 0 554.599 5.247 50 30 biogenic KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409185 551663884 /nfs/dbraw/zinc/66/38/84/551663884.db2.gz WRENIOBPRRZLLJ-RBBQXQBVSA-N -1 0 536.672 7.058 50 30 KKEARM CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409190 551663908 /nfs/dbraw/zinc/66/39/08/551663908.db2.gz GGRGZKDCSWLXFQ-JCOAXYOVSA-N -1 0 527.596 5.657 50 30 KKEARM CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409188 551663973 /nfs/dbraw/zinc/66/39/73/551663973.db2.gz GGRGZKDCSWLXFQ-ROTAYESASA-N -1 0 527.596 5.657 50 30 KKEARM Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4cccc(C(=O)[O-])c4)c4ccccc4C3c3ccccc32)cc1 ZINC000001434053 551670462 /nfs/dbraw/zinc/67/04/62/551670462.db2.gz FFBCTMOFWIQYFC-KFVNMEOESA-N -1 0 512.565 5.647 50 30 KKEARM COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000001438539 551671960 /nfs/dbraw/zinc/67/19/60/551671960.db2.gz LGVMKRCPRKZIIN-CBZJRKILSA-N -1 0 548.592 5.165 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001450212 551675170 /nfs/dbraw/zinc/67/51/70/551675170.db2.gz ZZLNEZNJEGZHQZ-HXUWFJFHSA-N -1 0 525.380 5.833 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001451686 551676355 /nfs/dbraw/zinc/67/63/55/551676355.db2.gz XADQUDKOVRVWSH-DEOSSOPVSA-N -1 0 564.591 5.643 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451684 551676405 /nfs/dbraw/zinc/67/64/05/551676405.db2.gz QJLWBUDECCDTNM-DEOSSOPVSA-N -1 0 534.565 5.634 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001451972 551676440 /nfs/dbraw/zinc/67/64/40/551676440.db2.gz WIYCXKMBRPSIAF-FQEVSTJZSA-N -1 0 525.380 5.833 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001451973 551676472 /nfs/dbraw/zinc/67/64/72/551676472.db2.gz WIYCXKMBRPSIAF-HXUWFJFHSA-N -1 0 525.380 5.833 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1 ZINC000001457556 551677052 /nfs/dbraw/zinc/67/70/52/551677052.db2.gz MLQHAYFWNWAGKS-SONOPUAISA-N -1 0 516.619 5.831 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000001479907 551681264 /nfs/dbraw/zinc/68/12/64/551681264.db2.gz SNIQVJVQMGPYOZ-DEOSSOPVSA-N -1 0 544.585 5.273 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000001479960 551681554 /nfs/dbraw/zinc/68/15/54/551681554.db2.gz DEFINGCPYAFRPV-OAQYLSRUSA-N -1 0 523.408 6.360 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480874 551682379 /nfs/dbraw/zinc/68/23/79/551682379.db2.gz CCODETKKUHIECG-DEOSSOPVSA-N -1 0 534.565 5.634 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000001897961 551729197 /nfs/dbraw/zinc/72/91/97/551729197.db2.gz IMLFZBSGBYTSDW-UHFFFAOYSA-N -1 0 576.744 6.579 50 30 KKEARM Cc1cccc(C)c1/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1c(C)cccc1C ZINC000002073620 551748258 /nfs/dbraw/zinc/74/82/58/551748258.db2.gz CNKQRYJQNOUDLX-JZRXHDQVSA-N -1 0 541.898 7.850 50 30 KKEARM O=C(OCc1ccccc1)c1cnc(=NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1C(F)(F)F ZINC000002157473 551779880 /nfs/dbraw/zinc/77/98/80/551779880.db2.gz QCRQICSNMKDJPO-UHFFFAOYSA-N -1 0 588.408 5.195 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)NCCc1ccccc1 ZINC000002188076 551788187 /nfs/dbraw/zinc/78/81/87/551788187.db2.gz IZCVKGNVZRSVBD-XODNFHPESA-N -1 0 516.475 6.510 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000002309402 551808990 /nfs/dbraw/zinc/80/89/90/551808990.db2.gz NZEDXLJSXXBSFN-BRJLIKDPSA-N -1 0 514.242 7.458 50 30 KKEARM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000002745055 552172938 /nfs/dbraw/zinc/17/29/38/552172938.db2.gz XIHFAPMKZMOLPG-PYDPJRFUSA-N -1 0 565.489 6.955 50 30 KKEARM COc1cccc(-c2nc3cc(/N=C/c4c(C)c(Br)c([O-])c(Br)c4O)ccc3o2)c1 ZINC000003083648 552285863 /nfs/dbraw/zinc/28/58/63/552285863.db2.gz SVGNXCYXZQODCB-KIBLKLHPSA-N -1 0 532.188 6.499 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000003091157 552286717 /nfs/dbraw/zinc/28/67/17/552286717.db2.gz JPMXZMSSQGQNBC-AUEPDCJTSA-N -1 0 564.133 6.226 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000005355186 552498615 /nfs/dbraw/zinc/49/86/15/552498615.db2.gz XMASRHZDIGOMCJ-QHCPKHFHSA-N -1 0 566.632 5.135 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355435 552498679 /nfs/dbraw/zinc/49/86/79/552498679.db2.gz KOPJVESHNJQPNM-VWLOTQADSA-N -1 0 576.671 6.073 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005357045 552499192 /nfs/dbraw/zinc/49/91/92/552499192.db2.gz IAICEXZNVAXQLI-XMMPIXPASA-N -1 0 578.643 5.302 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919148 552512286 /nfs/dbraw/zinc/51/22/86/552512286.db2.gz IXMZWLOGYMLAOV-XMMPIXPASA-N -1 0 564.660 5.907 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C ZINC000005919788 552512631 /nfs/dbraw/zinc/51/26/31/552512631.db2.gz BHPGRFBIUKQASP-QFIPXVFZSA-N -1 0 536.581 5.423 50 30 KKEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006146303 552547954 /nfs/dbraw/zinc/54/79/54/552547954.db2.gz BRTHUVMOIMOFKW-UHFFFAOYSA-N -1 0 594.509 5.367 50 30 KKEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2ccccc2s1 ZINC000006146306 552547969 /nfs/dbraw/zinc/54/79/69/552547969.db2.gz UIKHQYOAQVOGKW-UHFFFAOYSA-N -1 0 532.441 5.895 50 30 KKEARM CCc1ccc(-n2c([N-]S(=O)(=O)c3ccc(C)cc3)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000006146352 552547976 /nfs/dbraw/zinc/54/79/76/552547976.db2.gz HHXMFHZOJFEKIM-UHFFFAOYSA-N -1 0 575.694 6.750 50 30 KKEARM O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006147161 552548766 /nfs/dbraw/zinc/54/87/66/552548766.db2.gz NAJANVVFFQLBAA-UHFFFAOYSA-N -1 0 525.413 6.662 50 30 KKEARM O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000006147013 552548819 /nfs/dbraw/zinc/54/88/19/552548819.db2.gz AABSTGVTEPPDHX-UHFFFAOYSA-N -1 0 555.033 5.878 50 30 KKEARM Cc1ccc(S(=O)(=O)N=C(Nc2cc(Br)c([O-])c(Br)c2)c2ccccc2)cc1 ZINC000006151090 552551400 /nfs/dbraw/zinc/55/14/00/552551400.db2.gz OBOPDNHLSGDWQX-UHFFFAOYSA-N -1 0 524.234 5.473 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000006458984 552590056 /nfs/dbraw/zinc/59/00/56/552590056.db2.gz VXTLJXDQZGXTHN-OAQYLSRUSA-N -1 0 543.211 6.003 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006845007 552974455 /nfs/dbraw/zinc/97/44/55/552974455.db2.gz PCIUEQPBYFRTEM-UHFFFAOYSA-N -1 0 514.078 5.716 50 30 in-man KKEARM O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)nc(-c2ccccc2)[n-]1 ZINC000008383351 552986172 /nfs/dbraw/zinc/98/61/72/552986172.db2.gz QMVDFGUXMNBMAP-UHFFFAOYSA-N -1 0 606.688 7.172 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383321 552986197 /nfs/dbraw/zinc/98/61/97/552986197.db2.gz DVNJTYILLJFMSO-QHCPKHFHSA-N -1 0 612.491 7.805 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383331 552986203 /nfs/dbraw/zinc/98/62/03/552986203.db2.gz IPBPZHSEKPYXRD-GDLZYMKVSA-N -1 0 635.698 8.291 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383322 552986213 /nfs/dbraw/zinc/98/62/13/552986213.db2.gz BCGJUAFOCYALDP-OAQYLSRUSA-N -1 0 549.630 6.560 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383384 552986469 /nfs/dbraw/zinc/98/64/69/552986469.db2.gz ULECHWDGEWYFGS-MHZLTWQESA-N -1 0 575.671 7.513 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383439 552986830 /nfs/dbraw/zinc/98/68/30/552986830.db2.gz DWBQFQPRLAIGQQ-HSZRJFAPSA-N -1 0 576.055 6.719 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384072 552988856 /nfs/dbraw/zinc/98/88/56/552988856.db2.gz ZTNRIATZYPCUQH-RUZDIDTESA-N -1 0 620.108 7.117 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008396458 552995338 /nfs/dbraw/zinc/99/53/38/552995338.db2.gz BBVGLHPZLDUGAP-UHFFFAOYSA-N -1 0 596.551 7.733 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)c(Br)c4)c3=O)n2)cc1 ZINC000008397601 552996988 /nfs/dbraw/zinc/99/69/88/552996988.db2.gz RPMXTRQPFZJBSJ-BGABXYSRSA-N -1 0 591.447 6.017 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000008398137 552998285 /nfs/dbraw/zinc/99/82/85/552998285.db2.gz XSNSDBBXWVAUMS-QOMWVZHYSA-N -1 0 622.071 6.101 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008399676 553001786 /nfs/dbraw/zinc/00/17/86/553001786.db2.gz ODRRAVGGZDOGIU-XSOFJNDSSA-N -1 0 557.455 6.903 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1 ZINC000008426945 553019048 /nfs/dbraw/zinc/01/90/48/553019048.db2.gz ZVPMLOJXPSBFHB-FOKLQQMPSA-N -1 0 566.136 6.160 50 30 KKEARM O=C([N-]CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008426896 553019114 /nfs/dbraw/zinc/01/91/14/553019114.db2.gz IUAOKCYLAZLBTI-UHFFFAOYSA-N -1 0 567.239 6.355 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1C=NN=c1nc(Nc2cccc(C(F)(F)F)c2)[nH]c(N2CCOCC2)n1 ZINC000008427609 553020324 /nfs/dbraw/zinc/02/03/24/553020324.db2.gz VLEFMRVFNFRMBW-LUOAPIJWSA-N -1 0 572.773 5.038 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008437895 553032193 /nfs/dbraw/zinc/03/21/93/553032193.db2.gz YTKLNRPLVMPLAE-UHFFFAOYSA-N -1 0 616.969 7.996 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008440083 553036501 /nfs/dbraw/zinc/03/65/01/553036501.db2.gz CXPSNTBZOHAGFL-SWKFRHMKSA-N -1 0 660.189 7.317 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc(OC)c1OC ZINC000008441241 553040082 /nfs/dbraw/zinc/04/00/82/553040082.db2.gz JGAOJIZMHHEHMJ-RUZDIDTESA-N -1 0 615.689 6.385 50 30 KKEARM COc1ccc(CCNC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1OC ZINC000008443028 553045377 /nfs/dbraw/zinc/04/53/77/553045377.db2.gz HXOSHTWONYNZMR-VVEOGCPPSA-N -1 0 665.429 6.746 50 30 KKEARM CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000008444213 553049676 /nfs/dbraw/zinc/04/96/76/553049676.db2.gz MVQZLXCTAUEISM-SSEXGKCCSA-N -1 0 526.633 7.368 50 30 KKEARM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000008461805 553075200 /nfs/dbraw/zinc/07/52/00/553075200.db2.gz OGXYNAPSGDVUCM-UHFFFAOYSA-N -1 0 595.328 5.990 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000008461950 553075478 /nfs/dbraw/zinc/07/54/78/553075478.db2.gz RPALZPCDFUSIQJ-SPSFWMDKSA-N -1 0 571.869 7.363 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000008744166 553133969 /nfs/dbraw/zinc/13/39/69/553133969.db2.gz QOMICXQFMDFZTH-QHCPKHFHSA-N -1 0 504.564 5.642 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000008856876 553167791 /nfs/dbraw/zinc/16/77/91/553167791.db2.gz ORPVKYRTGIYGCZ-VBNCLUCLSA-N -1 0 593.106 7.720 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008904791 553183709 /nfs/dbraw/zinc/18/37/09/553183709.db2.gz ZFRWCHNKHGKXSV-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973858 553195438 /nfs/dbraw/zinc/19/54/38/553195438.db2.gz NHIZNYAIWCGHPF-JOCHJYFZSA-N -1 0 501.520 5.386 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008973788 553195513 /nfs/dbraw/zinc/19/55/13/553195513.db2.gz ONCLJUSJTICOIZ-XMMPIXPASA-N -1 0 518.566 6.016 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000008996400 553197179 /nfs/dbraw/zinc/19/71/79/553197179.db2.gz SRZBFVQEZVOOGX-JOCHJYFZSA-N -1 0 520.563 5.260 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009070428 553207022 /nfs/dbraw/zinc/20/70/22/553207022.db2.gz QVEBURRQPHXAFU-JOCHJYFZSA-N -1 0 506.536 5.088 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009086249 553208272 /nfs/dbraw/zinc/20/82/72/553208272.db2.gz JCQPFSYLDNEHMP-QFIPXVFZSA-N -1 0 517.887 6.159 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc(Cl)cc1 ZINC000009110536 553210007 /nfs/dbraw/zinc/21/00/07/553210007.db2.gz XRIZGAXMNHLBEE-HXUWFJFHSA-N -1 0 502.832 6.050 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000009123532 553212341 /nfs/dbraw/zinc/21/23/41/553212341.db2.gz JQULZTSBYZYPQM-QFIPXVFZSA-N -1 0 503.511 5.743 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009160756 553215603 /nfs/dbraw/zinc/21/56/03/553215603.db2.gz UUOHTRFLHDMZFW-MHZLTWQESA-N -1 0 510.546 6.347 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009186809 553217895 /nfs/dbraw/zinc/21/78/95/553217895.db2.gz YLSVJLTYAQARPM-DEOSSOPVSA-N -1 0 518.591 6.168 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccnc2)C1=C([O-])c1ccc(F)cc1 ZINC000009209491 553220244 /nfs/dbraw/zinc/22/02/44/553220244.db2.gz PFBFYOSZGYUSEO-FQEVSTJZSA-N -1 0 504.568 5.147 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009234112 553224762 /nfs/dbraw/zinc/22/47/62/553224762.db2.gz JTXMYGZLJVJTGN-NRFANRHFSA-N -1 0 508.577 5.167 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009234508 553224906 /nfs/dbraw/zinc/22/49/06/553224906.db2.gz BSBGAGJEKSAPKA-OAHLLOKOSA-N -1 0 509.392 5.389 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009240615 553226170 /nfs/dbraw/zinc/22/61/70/553226170.db2.gz RQYFQOORJHTBID-NRFANRHFSA-N -1 0 508.577 5.167 50 30 KKEARM COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)S/C1=N\c1ccccc1 ZINC000009259636 553227996 /nfs/dbraw/zinc/22/79/96/553227996.db2.gz VXXIKDZMTDKJLQ-WZNPNLAZSA-N -1 0 518.591 5.223 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009271632 553231338 /nfs/dbraw/zinc/23/13/38/553231338.db2.gz IVSYAGHANLVPPI-HXUWFJFHSA-N -1 0 513.413 5.704 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009280166 553232780 /nfs/dbraw/zinc/23/27/80/553232780.db2.gz ABTBBOOURYHACK-QFIPXVFZSA-N -1 0 508.958 6.270 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009280180 553233045 /nfs/dbraw/zinc/23/30/45/553233045.db2.gz QZWWASUOQJYBOH-DEOSSOPVSA-N -1 0 518.566 6.016 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009302186 553236370 /nfs/dbraw/zinc/23/63/70/553236370.db2.gz KBMWURUEDLTKHI-NRFANRHFSA-N -1 0 505.483 5.135 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(O)cc2)o1 ZINC000009328432 553242056 /nfs/dbraw/zinc/24/20/56/553242056.db2.gz BNPMPRJDTDNFCB-HXUWFJFHSA-N -1 0 505.577 5.220 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000009329142 553242172 /nfs/dbraw/zinc/24/21/72/553242172.db2.gz VGWKVNJWQJFEQW-SANMLTNESA-N -1 0 520.582 5.598 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009357939 553247226 /nfs/dbraw/zinc/24/72/26/553247226.db2.gz IWUWXJDJEHBDJR-ZLOXQWCVSA-N -1 0 504.514 5.681 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccnc3)s2)cc1 ZINC000009360148 553248228 /nfs/dbraw/zinc/24/82/28/553248228.db2.gz HLMNRKAHONXZGV-OAQYLSRUSA-N -1 0 500.605 5.317 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000009374115 553250722 /nfs/dbraw/zinc/25/07/22/553250722.db2.gz JNMQBTWWPBFIEI-HXUWFJFHSA-N -1 0 509.356 5.981 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380077 553251746 /nfs/dbraw/zinc/25/17/46/553251746.db2.gz HBNVSWCYQDUNQB-CHJDUVSTSA-N -1 0 524.573 5.239 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380749 553251962 /nfs/dbraw/zinc/25/19/62/553251962.db2.gz HBNVSWCYQDUNQB-RCRUUEGKSA-N -1 0 524.573 5.239 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc([N+](=O)[O-])ccc4C)c3=O)n2)cc1 ZINC000009553950 553278770 /nfs/dbraw/zinc/27/87/70/553278770.db2.gz GXSUXVBFXNRWQE-RMLRFSFXSA-N -1 0 512.551 5.254 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(C)c(C)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000009594973 553283583 /nfs/dbraw/zinc/28/35/83/553283583.db2.gz UJPRMDDKUBATLD-MUUNZHRXSA-N -1 0 523.555 5.581 50 30 KKEARM CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009846419 553311807 /nfs/dbraw/zinc/31/18/07/553311807.db2.gz WIIIQXSHUCIJOF-MKNVGELUSA-N -1 0 510.443 5.858 50 30 KKEARM CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(OCC)c2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009850230 553312622 /nfs/dbraw/zinc/31/26/22/553312622.db2.gz UQTQLFZFODLLCM-DASRABTFSA-N -1 0 510.443 5.858 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C ZINC000009994092 553324400 /nfs/dbraw/zinc/32/44/00/553324400.db2.gz OGVJAERZKWTLJA-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349733 553359115 /nfs/dbraw/zinc/35/91/15/553359115.db2.gz OZZHVUMZXOICRI-XHCCPWGMSA-N -1 0 511.603 5.664 50 30 KKEARM COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(CSCC(=O)[O-])c3)cc2)cc1 ZINC000012741519 553420533 /nfs/dbraw/zinc/42/05/33/553420533.db2.gz SLJGHEDQRBQJGA-NTUHNPAUSA-N -1 0 506.576 5.275 50 30 KKEARM COc1cccc(CON=CNC([O-])=C(c2ccc(Cl)cc2)c2nc3ccccc3nc2C(F)(F)F)c1 ZINC000012952905 553429013 /nfs/dbraw/zinc/42/90/13/553429013.db2.gz QOQIJQMCFZBHNM-QFIPXVFZSA-N -1 0 528.918 5.719 50 30 KKEARM Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000014086825 553500305 /nfs/dbraw/zinc/50/03/05/553500305.db2.gz GAXQZFALVAOCFH-KRWDZBQOSA-N -1 0 510.240 6.521 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000016701032 553574776 /nfs/dbraw/zinc/57/47/76/553574776.db2.gz WUIUQXBVCZQHKB-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccccc2F)nc1C ZINC000016730398 553576525 /nfs/dbraw/zinc/57/65/25/553576525.db2.gz ALOOPPQKFMMITO-FQEVSTJZSA-N -1 0 510.518 5.164 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016805431 553582862 /nfs/dbraw/zinc/58/28/62/553582862.db2.gz AZYAVCLMOAJJQI-GOSISDBHSA-N -1 0 500.935 5.122 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000016805512 553583020 /nfs/dbraw/zinc/58/30/20/553583020.db2.gz XVEWMIFIMNHMQW-NRFANRHFSA-N -1 0 506.555 5.333 50 30 KKEARM COc1ccc(/N=C2\S/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000017413629 553595409 /nfs/dbraw/zinc/59/54/09/553595409.db2.gz HPOHKGREBAHZOG-VEZAPSBFSA-N -1 0 571.655 5.884 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070680392 553604325 /nfs/dbraw/zinc/60/43/25/553604325.db2.gz FXOJJICNCZRBFI-AHFYBFPWSA-N -1 0 587.801 8.899 50 30 biogenic KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(Cl)c4C)c3=O)n2)cc1 ZINC000018137571 553605722 /nfs/dbraw/zinc/60/57/22/553605722.db2.gz YKQHAXNONXHKBR-BGABXYSRSA-N -1 0 501.999 6.000 50 30 KKEARM CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000018156827 553606495 /nfs/dbraw/zinc/60/64/95/553606495.db2.gz MSTNATSBBIKNQT-XIEYBQDHSA-N -1 0 502.661 6.586 50 30 KKEARM Cc1ccsc1[C@@H]1c2c(C)nn(-c3ccccc3C(=O)[O-])c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018198852 553610067 /nfs/dbraw/zinc/61/00/67/553610067.db2.gz OXBLUTFLCWGJFT-UPCLLVRISA-N -1 0 501.633 6.269 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070698587 553614813 /nfs/dbraw/zinc/61/48/13/553614813.db2.gz BVRXYKXINDXTNL-OLEJIMGBSA-N -1 0 564.723 5.017 50 30 biogenic KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000019890697 553629898 /nfs/dbraw/zinc/62/98/98/553629898.db2.gz PAJFLLPUXDITRR-UHFFFAOYSA-N -1 0 515.606 5.471 50 30 KKEARM CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000020265651 553630140 /nfs/dbraw/zinc/63/01/40/553630140.db2.gz DTMBABSMCKJKFF-QGZVFWFLSA-N -1 0 513.226 5.084 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000079216704 553670935 /nfs/dbraw/zinc/67/09/35/553670935.db2.gz MTEVWUWWYBUXPF-ALZKNCBCSA-N -1 0 668.700 9.596 50 30 biogenic KKEARM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000020101171 553687137 /nfs/dbraw/zinc/68/71/37/553687137.db2.gz DTAIJNJOQYLBEA-HSZRJFAPSA-N -1 0 514.416 5.796 50 30 KKEARM C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000085876687 553689060 /nfs/dbraw/zinc/68/90/60/553689060.db2.gz LXCKEIFNFKPTET-UHFFFAOYSA-N -1 0 515.566 6.171 50 30 biogenic KKEARM CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[nH]1 ZINC000095603849 553705557 /nfs/dbraw/zinc/70/55/57/553705557.db2.gz UYEZDWWGFYJUOF-UHFFFAOYSA-N -1 0 613.821 8.154 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1 ZINC000095704635 553709139 /nfs/dbraw/zinc/70/91/39/553709139.db2.gz WGLCOVGRIPQOCD-JFLMPSFJSA-N -1 0 572.347 8.365 50 30 KKEARM O=S(=O)([N-]c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742702 553712187 /nfs/dbraw/zinc/71/21/87/553712187.db2.gz OBYVWAWOMWFHFI-UHFFFAOYSA-N -1 0 648.429 7.810 50 30 KKEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)cc1Cl ZINC000096115197 553725747 /nfs/dbraw/zinc/72/57/47/553725747.db2.gz LFIFDWZNHVLGIQ-OAQYLSRUSA-N -1 0 520.965 6.175 50 30 biogenic KKEARM Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000096305049 553748779 /nfs/dbraw/zinc/74/87/79/553748779.db2.gz ICCXNEOACOBSFD-UVHMKAGCSA-N -1 0 503.278 7.444 50 30 KKEARM COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000097939704 553760566 /nfs/dbraw/zinc/76/05/66/553760566.db2.gz NWZXCVXQIKRQCP-MYUZEXMDSA-N -1 0 576.627 5.484 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939789 553761292 /nfs/dbraw/zinc/76/12/92/553761292.db2.gz VQNCYNJIFGQWBE-CRICUBBOSA-N -1 0 556.637 5.090 50 30 KKEARM O=c1c(N=Nc2ccc(I)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000097940263 553764062 /nfs/dbraw/zinc/76/40/62/553764062.db2.gz UGPFTFVIUVLHNW-SLMZUGIISA-N -1 0 594.394 5.542 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000097944426 553769550 /nfs/dbraw/zinc/76/95/50/553769550.db2.gz TXLQROMLRQAQOV-NTFVMDSBSA-N -1 0 550.615 6.356 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)S/C2=N\c2ccccc2)cc1 ZINC000097944431 553769647 /nfs/dbraw/zinc/76/96/47/553769647.db2.gz FUTLJOZBWLFDAF-QIBWZKJESA-N -1 0 589.500 8.075 50 30 KKEARM CC(C)(C)c1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000097947952 553790011 /nfs/dbraw/zinc/79/00/11/553790011.db2.gz PNNVCVLIIPERJT-GDLZYMKVSA-N -1 0 546.708 6.995 50 30 KKEARM O=C(NC([N-]c1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000097949643 553802633 /nfs/dbraw/zinc/80/26/33/553802633.db2.gz HSVFLOJVIACTJE-UHFFFAOYSA-N -1 0 507.165 5.527 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000097951687 553810596 /nfs/dbraw/zinc/81/05/96/553810596.db2.gz RNWAFVXLEFPUEV-QFIPXVFZSA-N -1 0 540.797 6.062 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097951799 553811466 /nfs/dbraw/zinc/81/14/66/553811466.db2.gz KUXLOLRLRNEDQJ-QFIPXVFZSA-N -1 0 522.604 5.557 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951780 553811517 /nfs/dbraw/zinc/81/15/17/553811517.db2.gz FKBIRFWHBOCPGF-QFIPXVFZSA-N -1 0 537.410 6.598 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952519 553816279 /nfs/dbraw/zinc/81/62/79/553816279.db2.gz XKBOLMMSDLSLTR-FQEVSTJZSA-N -1 0 525.449 6.466 50 30 KKEARM CC12CC3(C)CC(C)(C1)CC(c1ccc(O)c(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])c1)(C2)C3 ZINC000027469884 553825839 /nfs/dbraw/zinc/82/58/39/553825839.db2.gz AKIMDTZVUWOLCB-HIUVJMHLSA-N -1 0 513.432 7.157 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955012 553827474 /nfs/dbraw/zinc/82/74/74/553827474.db2.gz JPMUENKNBUIAFD-LFPIHBKWSA-N -1 0 543.557 5.319 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097955045 553827934 /nfs/dbraw/zinc/82/79/34/553827934.db2.gz IEGORPQARUCHAZ-SSEXGKCCSA-N -1 0 668.724 6.326 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955065 553827980 /nfs/dbraw/zinc/82/79/80/553827980.db2.gz CVIVALUQPFKQKY-RUZDIDTESA-N -1 0 606.653 5.146 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955070 553828358 /nfs/dbraw/zinc/82/83/58/553828358.db2.gz YSFDQBBREMBCPF-OZAJXLCCSA-N -1 0 623.481 5.888 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955100 553828741 /nfs/dbraw/zinc/82/87/41/553828741.db2.gz TZWIOFFRPCDVQH-NPMABZOXSA-N -1 0 537.424 6.709 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)s1 ZINC000027529800 553831614 /nfs/dbraw/zinc/83/16/14/553831614.db2.gz SRKMRNJDRDZIAM-DEOSSOPVSA-N -1 0 513.575 5.222 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955812 553834125 /nfs/dbraw/zinc/83/41/25/553834125.db2.gz FXYQDBRJQREDIP-ZLOXQWCVSA-N -1 0 547.976 5.964 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955811 553834319 /nfs/dbraw/zinc/83/43/19/553834319.db2.gz FXYQDBRJQREDIP-ZAMGYDSWSA-N -1 0 547.976 5.964 50 30 KKEARM Cc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)N2CCc2ccccc2)cc1 ZINC000027841866 553836726 /nfs/dbraw/zinc/83/67/26/553836726.db2.gz XRNMMRAHXCOVTG-UQLAIIKNSA-N -1 0 508.599 6.800 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000097956272 553837322 /nfs/dbraw/zinc/83/73/22/553837322.db2.gz OKSDWNLDRDSHEN-XMMPIXPASA-N -1 0 532.021 6.170 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(I)cc1 ZINC000097958770 553857735 /nfs/dbraw/zinc/85/77/35/553857735.db2.gz JEUNXFZNVVGUTN-ULJHMMPZSA-N -1 0 521.771 5.259 50 30 KKEARM C=CCc1ccc(OCCOc2c(Br)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2OCC)c(OC)c1 ZINC000097959060 553860367 /nfs/dbraw/zinc/86/03/67/553860367.db2.gz GHOINWGMSFAXDJ-HZHRSRAPSA-N -1 0 655.929 7.203 50 30 KKEARM COc1cccc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000097959833 553866501 /nfs/dbraw/zinc/86/65/01/553866501.db2.gz ZKWRSAZOGPVCGU-CWZYGFPESA-N -1 0 559.644 5.043 50 30 KKEARM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000097960106 553868326 /nfs/dbraw/zinc/86/83/26/553868326.db2.gz WPHNXQHKYUSFKZ-UOXOTVAMSA-N -1 0 541.629 5.875 50 30 KKEARM COc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000097960226 553869361 /nfs/dbraw/zinc/86/93/61/553869361.db2.gz SWEZLFUWLBASFG-DSWYMIRZSA-N -1 0 523.998 5.207 50 30 KKEARM CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000097960321 553870273 /nfs/dbraw/zinc/87/02/73/553870273.db2.gz HHBPLOFZOFFWHP-IQDGNKONSA-N -1 0 538.453 5.636 50 30 KKEARM C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1I ZINC000097960516 553871953 /nfs/dbraw/zinc/87/19/53/553871953.db2.gz HCMJQZHGSQBFNS-VGOFMYFVSA-N -1 0 679.046 5.730 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000097960612 553873022 /nfs/dbraw/zinc/87/30/22/553873022.db2.gz VSRFLDDIRKJKTD-LPYMAVHISA-N -1 0 560.990 6.282 50 30 KKEARM O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1)C1c3ccccc3C2c2ccccc21 ZINC000097962804 553885670 /nfs/dbraw/zinc/88/56/70/553885670.db2.gz WUZBZQYBOVCGEX-SWAOCSHASA-N -1 0 552.222 5.143 50 30 KKEARM CCN=C(Nc1cc(Cl)c([O-])c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000097966143 553907364 /nfs/dbraw/zinc/90/73/64/553907364.db2.gz VYPHNTBTYYCSMB-HNNXBMFYSA-N -1 0 538.787 5.529 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966812 553910727 /nfs/dbraw/zinc/91/07/27/553910727.db2.gz AKIYGPRAKYAXMI-QFIPXVFZSA-N -1 0 553.409 6.380 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097966887 553911570 /nfs/dbraw/zinc/91/15/70/553911570.db2.gz NMZIUOXAAOTMEZ-QFIPXVFZSA-N -1 0 555.052 6.160 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000097967106 553913824 /nfs/dbraw/zinc/91/38/24/553913824.db2.gz SBCXRRNKZMSILS-LJQANCHMSA-N -1 0 557.422 5.101 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000097967105 553913915 /nfs/dbraw/zinc/91/39/15/553913915.db2.gz SBCXRRNKZMSILS-IBGZPJMESA-N -1 0 557.422 5.101 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967161 553914327 /nfs/dbraw/zinc/91/43/27/553914327.db2.gz UCENGCFIEIWUDP-MHZLTWQESA-N -1 0 614.676 6.013 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967222 553915286 /nfs/dbraw/zinc/91/52/86/553915286.db2.gz WWMOEEXRCVSEEM-SANMLTNESA-N -1 0 600.649 5.623 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967345 553917127 /nfs/dbraw/zinc/91/71/27/553917127.db2.gz DFEOEXJTMFPHGM-LGGPFLRQSA-N -1 0 627.788 7.424 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967347 553917230 /nfs/dbraw/zinc/91/72/30/553917230.db2.gz DFEOEXJTMFPHGM-PBBNMVCDSA-N -1 0 627.788 7.424 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967353 553917251 /nfs/dbraw/zinc/91/72/51/553917251.db2.gz QLFOLMPTJOGJJF-LJAQVGFWSA-N -1 0 611.075 7.083 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967379 553917675 /nfs/dbraw/zinc/91/76/75/553917675.db2.gz WLCAPYHJBBGDRB-WYOOIXGGSA-N -1 0 677.848 8.659 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097967524 553919598 /nfs/dbraw/zinc/91/95/98/553919598.db2.gz SQCGHJQVHXKBIN-AREMUKBSSA-N -1 0 586.641 6.438 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967520 553919855 /nfs/dbraw/zinc/91/98/55/553919855.db2.gz UPIFVRZCAYIMPN-BHNGRWRESA-N -1 0 721.901 8.914 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097967614 553921078 /nfs/dbraw/zinc/92/10/78/553921078.db2.gz VTYJILDFDRBGCA-LJAQVGFWSA-N -1 0 616.692 6.437 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000097967647 553921344 /nfs/dbraw/zinc/92/13/44/553921344.db2.gz ZCDPOBMWERKMFB-MHZLTWQESA-N -1 0 596.661 6.170 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967654 553921464 /nfs/dbraw/zinc/92/14/64/553921464.db2.gz LZRYSKVQLKYAJP-WXTAPIANSA-N -1 0 585.707 6.254 50 30 KKEARM CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)N(CCCC)CCCC)ccc1-2 ZINC000033353139 553923507 /nfs/dbraw/zinc/92/35/07/553923507.db2.gz RWIKRYQUGRVKAQ-UHFFFAOYSA-N -1 0 577.813 6.075 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967809 553923586 /nfs/dbraw/zinc/92/35/86/553923586.db2.gz XMVWXBCFYBTIFF-KEEVHDRGSA-N -1 0 675.804 7.653 50 30 KKEARM O=c1c(N=Nc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000033353222 553923823 /nfs/dbraw/zinc/92/38/23/553923823.db2.gz BPTVLWHGFDVDJK-XAYXJRQQSA-N -1 0 547.394 5.700 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097967858 553923899 /nfs/dbraw/zinc/92/38/99/553923899.db2.gz USAFZBKKCNZUCZ-NDEPHWFRSA-N -1 0 629.760 6.809 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967852 553924018 /nfs/dbraw/zinc/92/40/18/553924018.db2.gz VUOHDBJGJHSMNN-LBEKAKSKSA-N -1 0 712.677 8.431 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967911 553924890 /nfs/dbraw/zinc/92/48/90/553924890.db2.gz MUKSVNQJAXTHKC-HSZRJFAPSA-N -1 0 561.616 5.524 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967921 553924912 /nfs/dbraw/zinc/92/49/12/553924912.db2.gz DABRFPDAMTVZST-HHHXNRCGSA-N -1 0 606.697 6.176 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967901 553924954 /nfs/dbraw/zinc/92/49/54/553924954.db2.gz CSKQGMBJQACUMI-JGCGQSQUSA-N -1 0 762.693 8.669 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967905 553924965 /nfs/dbraw/zinc/92/49/65/553924965.db2.gz OPKIBQHXQNMZKE-JGCGQSQUSA-N -1 0 679.820 8.107 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967920 553924980 /nfs/dbraw/zinc/92/49/80/553924980.db2.gz QGEUBPINKKCXJR-QHCPKHFHSA-N -1 0 612.516 6.691 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967928 553925232 /nfs/dbraw/zinc/92/52/32/553925232.db2.gz MLRNZJPIISMKME-GDLZYMKVSA-N -1 0 694.231 7.616 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967946 553925321 /nfs/dbraw/zinc/92/53/21/553925321.db2.gz INNULSKXRJOIHE-PMERELPUSA-N -1 0 708.258 8.006 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967931 553925341 /nfs/dbraw/zinc/92/53/41/553925341.db2.gz XZKKJLVXNREWMC-UMSFTDKQSA-N -1 0 699.810 8.117 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967933 553925449 /nfs/dbraw/zinc/92/54/49/553925449.db2.gz VIIZTXBUECPLDR-SANMLTNESA-N -1 0 634.135 6.603 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967984 553926100 /nfs/dbraw/zinc/92/61/00/553926100.db2.gz TZAWULTVEYQWLQ-NDEPHWFRSA-N -1 0 664.205 7.607 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000033353703 553926428 /nfs/dbraw/zinc/92/64/28/553926428.db2.gz CQENTNJXTSZYFA-AREMUKBSSA-N -1 0 529.946 5.618 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097968042 553926597 /nfs/dbraw/zinc/92/65/97/553926597.db2.gz QGCRIZAFTMFGDU-SSEXGKCCSA-N -1 0 673.813 7.208 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968022 553926646 /nfs/dbraw/zinc/92/66/46/553926646.db2.gz LZIYXHLXQALPHM-PMERELPUSA-N -1 0 649.750 6.964 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968071 553926979 /nfs/dbraw/zinc/92/69/79/553926979.db2.gz JBFUHULSNCKJHE-GEFUHLBYSA-N -1 0 740.731 9.211 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968088 553927449 /nfs/dbraw/zinc/92/74/49/553927449.db2.gz CXOKLTNIJWSDPI-XBBWARJSSA-N -1 0 696.678 8.668 50 30 KKEARM O=C([N-]Cc1ccco1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000033353922 553927518 /nfs/dbraw/zinc/92/75/18/553927518.db2.gz OXEVQNOGDQJCSV-UHFFFAOYSA-N -1 0 543.173 5.905 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968125 553927858 /nfs/dbraw/zinc/92/78/58/553927858.db2.gz OIBOWBWCADIUFP-QHCPKHFHSA-N -1 0 577.615 5.229 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968155 553928317 /nfs/dbraw/zinc/92/83/17/553928317.db2.gz ZZCKGSFVKCACHG-NDEPHWFRSA-N -1 0 647.750 7.093 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968229 553929177 /nfs/dbraw/zinc/92/91/77/553929177.db2.gz SKHLCEVCIHEOGY-CRYYWNKWSA-N -1 0 668.624 8.032 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968211 553929187 /nfs/dbraw/zinc/92/91/87/553929187.db2.gz LVKRGTVEFNVLEI-QHCPKHFHSA-N -1 0 579.606 5.663 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968246 553929624 /nfs/dbraw/zinc/92/96/24/553929624.db2.gz HSSNVYQIVZIREF-GDLZYMKVSA-N -1 0 677.776 7.101 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968253 553929656 /nfs/dbraw/zinc/92/96/56/553929656.db2.gz CLDHMVNPAOCHKK-VWLOTQADSA-N -1 0 656.569 7.090 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968336 553930752 /nfs/dbraw/zinc/93/07/52/553930752.db2.gz SNGGSHYCESCDAU-BSEYFRJRSA-N -1 0 644.989 7.897 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968325 553930768 /nfs/dbraw/zinc/93/07/68/553930768.db2.gz UOROABJWCLFQMF-HSZRJFAPSA-N -1 0 579.606 5.663 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968326 553930779 /nfs/dbraw/zinc/93/07/79/553930779.db2.gz UOROABJWCLFQMF-QHCPKHFHSA-N -1 0 579.606 5.663 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968359 553931418 /nfs/dbraw/zinc/93/14/18/553931418.db2.gz ADZCMIUICHMHCQ-MUUNZHRXSA-N -1 0 629.760 6.872 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968409 553931996 /nfs/dbraw/zinc/93/19/96/553931996.db2.gz IRGHKHAFJWDBIW-DEOSSOPVSA-N -1 0 642.542 6.700 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968405 553932005 /nfs/dbraw/zinc/93/20/05/553932005.db2.gz OGOFCOBMSZPQBC-PMERELPUSA-N -1 0 667.740 7.103 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968420 553932330 /nfs/dbraw/zinc/93/23/30/553932330.db2.gz KOIGESPLGCVLLV-SFDCACGMSA-N -1 0 611.445 6.018 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968428 553932545 /nfs/dbraw/zinc/93/25/45/553932545.db2.gz YYZRVLLJEAUDTB-GDLZYMKVSA-N -1 0 643.787 7.262 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969124 553936878 /nfs/dbraw/zinc/93/68/78/553936878.db2.gz VWHFSYNIMIFKAS-JCOAXYOVSA-N -1 0 682.223 8.169 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969135 553937029 /nfs/dbraw/zinc/93/70/29/553937029.db2.gz DJXHQYVHANNUIN-OYLFLEFRSA-N -1 0 594.089 6.729 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969170 553937379 /nfs/dbraw/zinc/93/73/79/553937379.db2.gz IRKSMRLZNNHUNP-JRPXNJEYSA-N -1 0 657.814 7.433 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969169 553937389 /nfs/dbraw/zinc/93/73/89/553937389.db2.gz IRKSMRLZNNHUNP-URAOTHONSA-N -1 0 657.814 7.433 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969237 553938304 /nfs/dbraw/zinc/93/83/04/553938304.db2.gz DQYIJPVUNOQTFJ-IVCQMTBJSA-N -1 0 634.135 6.377 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969234 553938409 /nfs/dbraw/zinc/93/84/09/553938409.db2.gz DQYIJPVUNOQTFJ-CPJLOUKISA-N -1 0 634.135 6.377 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969246 553938698 /nfs/dbraw/zinc/93/86/98/553938698.db2.gz SBZJIAGMQCPIMT-WHLCRQNOSA-N -1 0 631.751 7.255 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969250 553938805 /nfs/dbraw/zinc/93/88/05/553938805.db2.gz ZBUKCLLNIIMZIB-UPCLLVRISA-N -1 0 576.099 6.590 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969552 553942264 /nfs/dbraw/zinc/94/22/64/553942264.db2.gz WKSKMCOHIDHKRF-HSZRJFAPSA-N -1 0 566.632 5.135 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097969575 553942461 /nfs/dbraw/zinc/94/24/61/553942461.db2.gz VSJXUWWXBUDXBC-GYCJOSAFSA-N -1 0 559.644 6.076 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969831 553945585 /nfs/dbraw/zinc/94/55/85/553945585.db2.gz DXDSHLHFSQDNSQ-DNOBIOAJSA-N -1 0 617.724 6.865 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969859 553945968 /nfs/dbraw/zinc/94/59/68/553945968.db2.gz HMFOROSSGMGAEQ-VKGTZQKMSA-N -1 0 629.760 6.734 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969959 553947427 /nfs/dbraw/zinc/94/74/27/553947427.db2.gz MVASUSTXHAGVKS-ACSYHNTCSA-N -1 0 643.787 7.124 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970123 553949902 /nfs/dbraw/zinc/94/99/02/553949902.db2.gz DEDRDSFMKAOMOW-PPHZAIPVSA-N -1 0 599.734 6.644 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970150 553950515 /nfs/dbraw/zinc/95/05/15/553950515.db2.gz MTKXQTKARLKASV-XDBZFTIUSA-N -1 0 647.750 6.873 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970193 553950770 /nfs/dbraw/zinc/95/07/70/553950770.db2.gz OHNHVGRDRMNJPG-UKPGIYTDSA-N -1 0 689.831 8.044 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970199 553950924 /nfs/dbraw/zinc/95/09/24/553950924.db2.gz UQNYJGMXKNFWLD-UKPGIYTDSA-N -1 0 689.831 8.044 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970305 553952532 /nfs/dbraw/zinc/95/25/32/553952532.db2.gz OHNPKJGVLJIHBL-PUAOIOHZSA-N -1 0 617.680 5.862 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970367 553953281 /nfs/dbraw/zinc/95/32/81/553953281.db2.gz QLOUPHCQQPCBHU-DEOSSOPVSA-N -1 0 639.480 5.726 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970365 553953319 /nfs/dbraw/zinc/95/33/19/553953319.db2.gz YBMLNDVEDOUVEM-XRHLQHRESA-N -1 0 615.708 6.641 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970418 553953635 /nfs/dbraw/zinc/95/36/35/553953635.db2.gz XUDSBENVHAIAHX-WHEQGISXSA-N -1 0 641.496 5.377 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970424 553953741 /nfs/dbraw/zinc/95/37/41/553953741.db2.gz FBPLCFWUZIQWGS-HWRSSNJWSA-N -1 0 593.057 6.082 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970448 553954081 /nfs/dbraw/zinc/95/40/81/553954081.db2.gz KBNPZYBIQRYOMH-JIYROHSKSA-N -1 0 685.868 8.213 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097970439 553954132 /nfs/dbraw/zinc/95/41/32/553954132.db2.gz IOAKEVYSVCTVOI-RCDICMHDSA-N -1 0 551.020 5.554 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970562 553955947 /nfs/dbraw/zinc/95/59/47/553955947.db2.gz GZRSESOBCJBNCF-JCOAXYOVSA-N -1 0 706.286 8.558 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970649 553957150 /nfs/dbraw/zinc/95/71/50/553957150.db2.gz FPQWFEQPZUUKFO-OLILMLBXSA-N -1 0 645.778 7.645 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970647 553957193 /nfs/dbraw/zinc/95/71/93/553957193.db2.gz FPQWFEQPZUUKFO-WRONEBCDSA-N -1 0 645.778 7.645 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970763 553958243 /nfs/dbraw/zinc/95/82/43/553958243.db2.gz BGJCALJOSRDVQH-XBBWARJSSA-N -1 0 676.216 7.554 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097970742 553958359 /nfs/dbraw/zinc/95/83/59/553958359.db2.gz NFVATYSAUKUBCP-QHCPKHFHSA-N -1 0 579.428 5.622 50 30 KKEARM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000097972058 553965575 /nfs/dbraw/zinc/96/55/75/553965575.db2.gz HKRRMINZERPOCO-HSZRJFAPSA-N -1 0 528.601 7.052 50 30 biogenic KKEARM Cc1ccc(N2C(SCC(=O)[O-])=N/C(=N/c3ccc(Cl)cc3)C23CCCCC3)cc1Br ZINC000035104378 554034724 /nfs/dbraw/zinc/03/47/24/554034724.db2.gz ZTRWLQQJTYSBSX-YYADALCUSA-N -1 0 520.880 6.838 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000098001378 554052316 /nfs/dbraw/zinc/05/23/16/554052316.db2.gz HQNFNFXGUXYADN-LGJNPRDNSA-N -1 0 585.260 6.044 50 30 KKEARM Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000098007298 554063186 /nfs/dbraw/zinc/06/31/86/554063186.db2.gz NPESRZFXLLBXHU-OAHLLOKOSA-N -1 0 516.269 6.582 50 30 KKEARM CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000035958495 554108110 /nfs/dbraw/zinc/10/81/10/554108110.db2.gz QZXPCMHKNGIKOC-BULCYMTISA-N -1 0 585.465 6.438 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046472 554139266 /nfs/dbraw/zinc/13/92/66/554139266.db2.gz DGSGJVJWOITAGE-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046460 554139414 /nfs/dbraw/zinc/13/94/14/554139414.db2.gz GSESHEBZKQTTCF-RUZDIDTESA-N -1 0 661.032 8.752 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098046468 554139448 /nfs/dbraw/zinc/13/94/48/554139448.db2.gz BRPXKFOPPZRBOH-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000098046477 554139460 /nfs/dbraw/zinc/13/94/60/554139460.db2.gz PJRXDMCHOQGXSN-NDEPHWFRSA-N -1 0 634.223 8.569 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046461 554139478 /nfs/dbraw/zinc/13/94/78/554139478.db2.gz GSESHEBZKQTTCF-VWLOTQADSA-N -1 0 661.032 8.752 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046502 554139875 /nfs/dbraw/zinc/13/98/75/554139875.db2.gz RDTJIOIAHWASKN-HSZRJFAPSA-N -1 0 626.087 6.201 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098046518 554140134 /nfs/dbraw/zinc/14/01/34/554140134.db2.gz WYUSOUTZSYHQBY-HHHXNRCGSA-N -1 0 641.702 6.701 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000098046590 554141251 /nfs/dbraw/zinc/14/12/51/554141251.db2.gz OYDSQAHPEVTXLJ-JOCHJYFZSA-N -1 0 525.051 6.973 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046614 554141569 /nfs/dbraw/zinc/14/15/69/554141569.db2.gz YABPZOCMJCSTOO-AREMUKBSSA-N -1 0 577.058 6.683 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046660 554141968 /nfs/dbraw/zinc/14/19/68/554141968.db2.gz BKZJNMFXCPNIIW-NRFANRHFSA-N -1 0 551.577 5.108 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098046709 554142770 /nfs/dbraw/zinc/14/27/70/554142770.db2.gz WWKZJINWBZLDOU-HSZRJFAPSA-N -1 0 577.615 5.664 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccnc2)C1=C([O-])c1ccccc1 ZINC000098046841 554144218 /nfs/dbraw/zinc/14/42/18/554144218.db2.gz MLMHKXOYPYJJHZ-FQEVSTJZSA-N -1 0 521.023 5.662 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047236 554147949 /nfs/dbraw/zinc/14/79/49/554147949.db2.gz JKHVVQXWTISFGP-PMERELPUSA-N -1 0 639.774 8.393 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccco2)cc1F ZINC000098047263 554148292 /nfs/dbraw/zinc/14/82/92/554148292.db2.gz HWVCZUMFYDRSII-XMMPIXPASA-N -1 0 573.627 6.507 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047387 554149995 /nfs/dbraw/zinc/14/99/95/554149995.db2.gz JXPCWJMFPKAQNJ-QHCPKHFHSA-N -1 0 567.664 5.649 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047375 554150060 /nfs/dbraw/zinc/15/00/60/554150060.db2.gz CWPQKJZIKPFBJR-HKBQPEDESA-N -1 0 649.794 8.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000098047371 554150092 /nfs/dbraw/zinc/15/00/92/554150092.db2.gz OGRGTXCZMUMUGJ-DEOSSOPVSA-N -1 0 558.685 6.187 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098047389 554150151 /nfs/dbraw/zinc/15/01/51/554150151.db2.gz FYBVNYSRUDRWQU-QFIPXVFZSA-N -1 0 631.494 7.276 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047395 554150586 /nfs/dbraw/zinc/15/05/86/554150586.db2.gz SHWUVZWMEWCZRM-DEOSSOPVSA-N -1 0 596.105 7.113 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047435 554150937 /nfs/dbraw/zinc/15/09/37/554150937.db2.gz HSEDCKQSNYZDQV-MHZLTWQESA-N -1 0 606.741 7.015 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098047427 554150970 /nfs/dbraw/zinc/15/09/70/554150970.db2.gz OADQZZKAYRLKLA-PMERELPUSA-N -1 0 661.821 8.500 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047476 554151350 /nfs/dbraw/zinc/15/13/50/554151350.db2.gz GSXOEHICQPRRHP-GDLZYMKVSA-N -1 0 678.232 8.019 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047454 554151516 /nfs/dbraw/zinc/15/15/16/554151516.db2.gz FBZIBTFUBNXPCM-MGBGTMOVSA-N -1 0 701.911 9.068 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047507 554151732 /nfs/dbraw/zinc/15/17/32/554151732.db2.gz WTXAZXBVUUBPSW-WJOKGBTCSA-N -1 0 654.785 7.805 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047497 554151909 /nfs/dbraw/zinc/15/19/09/554151909.db2.gz NBSXFIGFUSKVPV-JGCGQSQUSA-N -1 0 692.875 8.584 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047486 554151917 /nfs/dbraw/zinc/15/19/17/554151917.db2.gz PBUITCZRCMXHQR-NDEPHWFRSA-N -1 0 650.222 8.234 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047483 554151922 /nfs/dbraw/zinc/15/19/22/554151922.db2.gz CDJKJDVELALLOC-HHHXNRCGSA-N -1 0 629.760 6.887 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047528 554152144 /nfs/dbraw/zinc/15/21/44/554152144.db2.gz OFXCZIGOWHBDKZ-SSEXGKCCSA-N -1 0 664.821 7.804 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000098047521 554152296 /nfs/dbraw/zinc/15/22/96/554152296.db2.gz VMDRZXPFPRNLKW-VWLOTQADSA-N -1 0 592.670 5.773 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047551 554152594 /nfs/dbraw/zinc/15/25/94/554152594.db2.gz MZTQKQQZAQQZRY-XMMPIXPASA-N -1 0 593.658 6.134 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047594 554153105 /nfs/dbraw/zinc/15/31/05/554153105.db2.gz SVHBUKYXBLDGHG-SANMLTNESA-N -1 0 616.721 7.009 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047610 554153442 /nfs/dbraw/zinc/15/34/42/554153442.db2.gz OAEUFPLORWPBJC-SANMLTNESA-N -1 0 616.721 7.009 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047628 554153483 /nfs/dbraw/zinc/15/34/83/554153483.db2.gz UFRQAYFGHVMZRK-HKBQPEDESA-N -1 0 691.847 8.509 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047614 554153525 /nfs/dbraw/zinc/15/35/25/554153525.db2.gz FOCQYMYLNIKFEL-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047608 554153565 /nfs/dbraw/zinc/15/35/65/554153565.db2.gz VHLMYHHSQSQALX-PMERELPUSA-N -1 0 657.814 7.674 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047602 554153678 /nfs/dbraw/zinc/15/36/78/554153678.db2.gz FXPKIFNQBLOIJL-VWLOTQADSA-N -1 0 637.139 7.354 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047645 554153915 /nfs/dbraw/zinc/15/39/15/554153915.db2.gz LSLAHSNYEOXPAK-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047662 554154373 /nfs/dbraw/zinc/15/43/73/554154373.db2.gz PBBXXUPRHCKDOF-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047706 554154893 /nfs/dbraw/zinc/15/48/93/554154893.db2.gz JQHJBZHTIVELQH-LJAQVGFWSA-N -1 0 625.747 8.038 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047736 554155319 /nfs/dbraw/zinc/15/53/19/554155319.db2.gz XLKVBCMLPBEELP-MHZLTWQESA-N -1 0 613.692 6.923 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047740 554155373 /nfs/dbraw/zinc/15/53/73/554155373.db2.gz KSNLTBZYVNLWNU-LJAQVGFWSA-N -1 0 641.746 7.621 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047751 554155430 /nfs/dbraw/zinc/15/54/30/554155430.db2.gz LDCNYZBTKXQTRM-MUUNZHRXSA-N -1 0 595.721 7.776 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047729 554155495 /nfs/dbraw/zinc/15/54/95/554155495.db2.gz VPCBQHBXQZNIPZ-GDLZYMKVSA-N -1 0 639.774 8.212 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047767 554155820 /nfs/dbraw/zinc/15/58/20/554155820.db2.gz BPGJXYOAAPHCCM-MUUNZHRXSA-N -1 0 653.738 6.570 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047839 554156755 /nfs/dbraw/zinc/15/67/55/554156755.db2.gz YAUOAKWJPBXHIK-WJOKGBTCSA-N -1 0 653.801 8.783 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C ZINC000098048011 554158367 /nfs/dbraw/zinc/15/83/67/554158367.db2.gz DZSWCNPWKYVLBV-DEOSSOPVSA-N -1 0 544.654 6.386 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=[NH+]n2c3ccc(C(=O)[O-])cc3nc2[C@@H]1S(=O)(=O)[O-] ZINC000098050349 554173964 /nfs/dbraw/zinc/17/39/64/554173964.db2.gz ROBQHBPXOIYPMS-RUZDIDTESA-N -1 0 519.708 7.143 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1 ZINC000100005922 554177975 /nfs/dbraw/zinc/17/79/75/554177975.db2.gz BUXHDBBQPMJWSH-GKPLWNPISA-N -1 0 540.605 5.871 50 30 KKEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100005886 554178029 /nfs/dbraw/zinc/17/80/29/554178029.db2.gz VQENNMBEFLAKGP-XAYXJRQQSA-N -1 0 502.943 5.591 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(Cl)c4)c3=O)n2)cc1 ZINC000100005996 554178035 /nfs/dbraw/zinc/17/80/35/554178035.db2.gz HUGFYMGZIBWKJB-FAJYDZGRSA-N -1 0 532.969 5.599 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100025152 554183280 /nfs/dbraw/zinc/18/32/80/554183280.db2.gz ZSBBKPKYPCCDSI-HBRQFSJYSA-N -1 0 585.083 7.218 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N\c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000100044776 554193201 /nfs/dbraw/zinc/19/32/01/554193201.db2.gz NCHHDYJNJXYVOF-RMORIDSASA-N -1 0 598.203 6.334 50 30 KKEARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000100115234 554222918 /nfs/dbraw/zinc/22/29/18/554222918.db2.gz SFAIYCUSPDTFKU-NDENLUEZSA-N -1 0 579.545 5.808 50 30 KKEARM CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000100144245 554229701 /nfs/dbraw/zinc/22/97/01/554229701.db2.gz IQFKPEXGMPXWRR-JALILWDOSA-N -1 0 538.453 5.636 50 30 KKEARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)c1 ZINC000100192456 554245176 /nfs/dbraw/zinc/24/51/76/554245176.db2.gz MJIBONLPOVQTBY-WSDLNYQXSA-N -1 0 530.378 5.183 50 30 KKEARM Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)S2)c1 ZINC000100193159 554245443 /nfs/dbraw/zinc/24/54/43/554245443.db2.gz DGHOXNDWCRHLJZ-NVNXTCNLSA-N -1 0 529.197 5.268 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000100236215 554258353 /nfs/dbraw/zinc/25/83/53/554258353.db2.gz ORPNVZUSOCPRDW-CBOBIEHYSA-N -1 0 609.542 7.528 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S/C2=N\c2ccccc2)cc1 ZINC000100236395 554258640 /nfs/dbraw/zinc/25/86/40/554258640.db2.gz IIUVXFLRRUATPU-GSYGROADSA-N -1 0 604.438 7.120 50 30 KKEARM CCOc1cc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc([N+](=O)[O-])c1[O-] ZINC000100237559 554259148 /nfs/dbraw/zinc/25/91/48/554259148.db2.gz BPSOZSWOHBAIOG-OKCVXOCRSA-N -1 0 513.506 6.266 50 30 KKEARM C=CCOc1c(Br)cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Br ZINC000100260855 554265555 /nfs/dbraw/zinc/26/55/55/554265555.db2.gz QFISKEZMTVDBAZ-WYZHQZIYSA-N -1 0 552.244 5.708 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000100313724 554302149 /nfs/dbraw/zinc/30/21/49/554302149.db2.gz GGYQEXHKGCVHOZ-UHFFFAOYSA-N -1 0 578.503 6.700 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053291626 554332118 /nfs/dbraw/zinc/33/21/18/554332118.db2.gz OZLYJYQEWULCCQ-NRFANRHFSA-N -1 0 522.941 5.658 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053305765 554332772 /nfs/dbraw/zinc/33/27/72/554332772.db2.gz ROQXADAWBRXORX-NRFANRHFSA-N -1 0 529.401 6.686 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053306591 554333942 /nfs/dbraw/zinc/33/39/42/554333942.db2.gz QPYRHDIMAVDPLN-FQEVSTJZSA-N -1 0 561.443 6.035 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306528 554334050 /nfs/dbraw/zinc/33/40/50/554334050.db2.gz GHCCEYULCOYILE-QFIPXVFZSA-N -1 0 551.418 5.859 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306651 554334270 /nfs/dbraw/zinc/33/42/70/554334270.db2.gz QFHZIBIAMOAKLM-OAQYLSRUSA-N -1 0 523.383 6.289 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000053307322 554335026 /nfs/dbraw/zinc/33/50/26/554335026.db2.gz UEWVPLYATWSAPW-JOCHJYFZSA-N -1 0 519.966 6.258 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053308164 554335585 /nfs/dbraw/zinc/33/55/85/554335585.db2.gz OZFJBWPVRNXWCW-OAQYLSRUSA-N -1 0 523.383 6.289 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319112 554335998 /nfs/dbraw/zinc/33/59/98/554335998.db2.gz DIXSSDSCIGFTNR-NRFANRHFSA-N -1 0 573.454 6.201 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000053319276 554336998 /nfs/dbraw/zinc/33/69/98/554336998.db2.gz GPKIBOUVZHBJKU-HXUWFJFHSA-N -1 0 526.343 5.426 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319348 554337326 /nfs/dbraw/zinc/33/73/26/554337326.db2.gz IBYSMJGJRJAVLP-OAQYLSRUSA-N -1 0 551.577 5.025 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319316 554337334 /nfs/dbraw/zinc/33/73/34/554337334.db2.gz SZOMMJMIHKBFGV-QFIPXVFZSA-N -1 0 553.865 7.112 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053319396 554337548 /nfs/dbraw/zinc/33/75/48/554337548.db2.gz KMFWGWIOMMNFPI-OAQYLSRUSA-N -1 0 529.376 6.534 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000053319402 554337933 /nfs/dbraw/zinc/33/79/33/554337933.db2.gz AZWCBJGTELRWDP-DEOSSOPVSA-N -1 0 532.021 6.170 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053332628 554338930 /nfs/dbraw/zinc/33/89/30/554338930.db2.gz CKBLOMPTIFNWSX-QFIPXVFZSA-N -1 0 583.847 6.266 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000053334030 554339699 /nfs/dbraw/zinc/33/96/99/554339699.db2.gz HAAWHQBQZDKXIF-HHHXNRCGSA-N -1 0 588.638 5.656 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000053333693 554339742 /nfs/dbraw/zinc/33/97/42/554339742.db2.gz XLCWGWZAAIEWAZ-SHACYNPGSA-N -1 0 533.005 6.065 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053340150 554343796 /nfs/dbraw/zinc/34/37/96/554343796.db2.gz RQGZFDXKYQFYSC-XMMPIXPASA-N -1 0 593.455 6.012 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000100439711 554393389 /nfs/dbraw/zinc/39/33/89/554393389.db2.gz KRLFDPVMZRCLBS-NHFXJNLRSA-N -1 0 531.175 5.977 50 30 KKEARM [O-]c1c(Br)cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1Br ZINC000059729493 554426774 /nfs/dbraw/zinc/42/67/74/554426774.db2.gz XBGUKYZOLJITSQ-VJVWGREKSA-N -1 0 510.001 5.938 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059835536 554437353 /nfs/dbraw/zinc/43/73/53/554437353.db2.gz WDINUCGUCYAZPN-YMGMXPECSA-N -1 0 531.565 5.696 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100674838 554443240 /nfs/dbraw/zinc/44/32/40/554443240.db2.gz CYUSCEGYAVXRII-XMMPIXPASA-N -1 0 617.551 7.533 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100674841 554443277 /nfs/dbraw/zinc/44/32/77/554443277.db2.gz CYUSCEGYAVXRII-DEOSSOPVSA-N -1 0 617.551 7.533 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100677220 554444274 /nfs/dbraw/zinc/44/42/74/554444274.db2.gz KNLQZTPNQHSPAT-GOSISDBHSA-N -1 0 545.386 5.231 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100677296 554444619 /nfs/dbraw/zinc/44/46/19/554444619.db2.gz WHHCKOUJDOSJIP-XMMPIXPASA-N -1 0 580.659 5.607 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100677314 554444628 /nfs/dbraw/zinc/44/46/28/554444628.db2.gz QUVIUIJPRNAAHF-HSZRJFAPSA-N -1 0 550.633 5.599 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677288 554444739 /nfs/dbraw/zinc/44/47/39/554444739.db2.gz YCFSLPJJEAMVOS-HHHXNRCGSA-N -1 0 606.741 7.159 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677692 554444755 /nfs/dbraw/zinc/44/47/55/554444755.db2.gz FEYBIMZYGRDZPL-DEOSSOPVSA-N -1 0 558.587 6.261 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000100679869 554445680 /nfs/dbraw/zinc/44/56/80/554445680.db2.gz YAVDWDCUYVERTJ-JOCHJYFZSA-N -1 0 538.597 5.729 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)cc2)nc1C ZINC000100680021 554445971 /nfs/dbraw/zinc/44/59/71/554445971.db2.gz SSEGVPCWDHCFGX-AREMUKBSSA-N -1 0 588.682 6.321 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100680040 554446100 /nfs/dbraw/zinc/44/61/00/554446100.db2.gz RNPZETDORCFWDO-RUZDIDTESA-N -1 0 592.670 5.773 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100680338 554446449 /nfs/dbraw/zinc/44/64/49/554446449.db2.gz YVHQXGPNUXSLDG-SANMLTNESA-N -1 0 606.697 6.163 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000100680397 554446698 /nfs/dbraw/zinc/44/66/98/554446698.db2.gz UCVDXBWRNDVTLI-DEOSSOPVSA-N -1 0 562.644 5.765 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100681061 554447142 /nfs/dbraw/zinc/44/71/42/554447142.db2.gz FSMFLUVKEULLDW-NRFANRHFSA-N -1 0 585.476 5.962 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100681118 554447235 /nfs/dbraw/zinc/44/72/35/554447235.db2.gz JQWULEAHJXJTIP-QFIPXVFZSA-N -1 0 536.606 5.209 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100681451 554447855 /nfs/dbraw/zinc/44/78/55/554447855.db2.gz VKGDIZSETHGCGZ-HXUWFJFHSA-N -1 0 561.418 6.332 50 30 KKEARM O=P([O-])(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100833669 554483164 /nfs/dbraw/zinc/48/31/64/554483164.db2.gz LHUPMZNHKMFSEE-UHFFFAOYSA-N -1 0 526.104 5.462 50 30 KKEARM Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(Br)=C2)cc(Br)c1O ZINC000064454549 554511318 /nfs/dbraw/zinc/51/13/18/554511318.db2.gz HJZFRHKAXRLQSG-RGEXLXHISA-N -1 0 540.229 5.320 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(Cc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000100934018 554528265 /nfs/dbraw/zinc/52/82/65/554528265.db2.gz KJRBPFYPYHGMJT-HHHXNRCGSA-N -1 0 527.518 5.099 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])nc(N(c3ccccc3)c3ccccc3)n2)cc1 ZINC000068572926 554540113 /nfs/dbraw/zinc/54/01/13/554540113.db2.gz HWVYVJRNJZPLSS-NDZAJKAJSA-N -1 0 548.563 6.153 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069810 554574268 /nfs/dbraw/zinc/57/42/68/554574268.db2.gz YJHVONARFVQHAW-MOBKVPTQSA-N -1 0 525.786 5.687 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069928 554574604 /nfs/dbraw/zinc/57/46/04/554574604.db2.gz NVTOBINSSBYJKF-WOOAAIBNSA-N -1 0 514.173 5.233 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101071374 554575770 /nfs/dbraw/zinc/57/57/70/554575770.db2.gz ZAARJYDKVBUCRY-SSOJOUAXSA-N -1 0 560.473 6.661 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000101072855 554576471 /nfs/dbraw/zinc/57/64/71/554576471.db2.gz QQPQCVBIGSNWQX-HOGKFDNTSA-N -1 0 583.847 6.110 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Br)s1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101089867 554581405 /nfs/dbraw/zinc/58/14/05/554581405.db2.gz IGZWBPFTLXSGJT-JBEBIEQOSA-N -1 0 566.502 6.723 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc(F)cc1 ZINC000101100217 554587160 /nfs/dbraw/zinc/58/71/60/554587160.db2.gz QXRLGRPRXXSOIQ-YDJIHCHBSA-N -1 0 527.346 5.963 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000101124683 554644817 /nfs/dbraw/zinc/64/48/17/554644817.db2.gz FFMOCDDFFXMXNN-SGXRDAIWSA-N -1 0 513.681 6.462 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1C ZINC000101130076 554649138 /nfs/dbraw/zinc/64/91/38/554649138.db2.gz WPFZACQUOSRWRP-JJKYIXSRSA-N -1 0 617.837 8.209 50 30 KKEARM CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cc(I)cc(I)c2[O-])cc1 ZINC000101216133 554682664 /nfs/dbraw/zinc/68/26/64/554682664.db2.gz QPVMFAFZXGTRLS-LSHDLFTRSA-N -1 0 604.255 5.328 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000101276747 554702940 /nfs/dbraw/zinc/70/29/40/554702940.db2.gz BADIEQIZDFLCOX-ONQGDUAMSA-N -1 0 596.661 6.530 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276837 554703543 /nfs/dbraw/zinc/70/35/43/554703543.db2.gz LVURCVKOGLSEJK-CJJGVWJISA-N -1 0 604.681 5.617 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277300 554703564 /nfs/dbraw/zinc/70/35/64/554703564.db2.gz OUDMSEHDFGOIQX-DFXXOVSGSA-N -1 0 626.687 6.022 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000101277940 554704205 /nfs/dbraw/zinc/70/42/05/554704205.db2.gz GYSLBCUTRVVMTG-ONQGDUAMSA-N -1 0 598.652 6.447 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000101277898 554704212 /nfs/dbraw/zinc/70/42/12/554704212.db2.gz LNXHSGZEHYJOAG-JBCNATCCSA-N -1 0 539.009 5.391 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316982 554724357 /nfs/dbraw/zinc/72/43/57/554724357.db2.gz ICTCBLMTKNFPHE-CZNAVJSXSA-N -1 0 617.680 5.932 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316979 554724391 /nfs/dbraw/zinc/72/43/91/554724391.db2.gz ICTCBLMTKNFPHE-CJJGVWJISA-N -1 0 617.680 5.932 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353993 554738965 /nfs/dbraw/zinc/73/89/65/554738965.db2.gz OGHXRBKLOUSPDW-SGANQWHYSA-N -1 0 557.584 5.710 50 30 KKEARM Cc1cc(C)c(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000101390948 554754279 /nfs/dbraw/zinc/75/42/79/554754279.db2.gz CVWPELNPZDGMIA-QCWLDUFUSA-N -1 0 510.579 5.863 50 30 KKEARM C#CCOc1cc(Br)c(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc1OC ZINC000101602028 554804347 /nfs/dbraw/zinc/80/43/47/554804347.db2.gz QTKSWNLWJSHCGN-STZFKDTASA-N -1 0 531.362 5.002 50 30 KKEARM COc1cc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000102052501 554871622 /nfs/dbraw/zinc/87/16/22/554871622.db2.gz UGTTVQPTNRRVAO-YMGMXPECSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052888 554871916 /nfs/dbraw/zinc/87/19/16/554871916.db2.gz ACXNGFUTXGJQKW-SONOPUAISA-N -1 0 545.588 5.143 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000102053123 554872123 /nfs/dbraw/zinc/87/21/23/554872123.db2.gz XWVADTJDMFBOQW-QUGAMOGWSA-N -1 0 527.602 5.613 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 ZINC000102053360 554872397 /nfs/dbraw/zinc/87/23/97/554872397.db2.gz XFGQPLQBQPSOSC-CBZJRKILSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053670 554872404 /nfs/dbraw/zinc/87/24/04/554872404.db2.gz OOVVOURMNDQOJV-PUAOIOHZSA-N -1 0 549.574 6.917 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])c(S(=O)(=O)N/N=c2\sc3ccccc3n2C)c1 ZINC000102313183 554910022 /nfs/dbraw/zinc/91/00/22/554910022.db2.gz LPDFONJBIHLMHO-MVJHLKBCSA-N -1 0 603.851 7.592 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000102439330 554929238 /nfs/dbraw/zinc/92/92/38/554929238.db2.gz VPGROZQTPNLIDL-UHFFFAOYSA-N -1 0 604.798 7.195 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000102491258 554939332 /nfs/dbraw/zinc/93/93/32/554939332.db2.gz LZMDRPOVRVWVMT-GHNGSUTGSA-N -1 0 500.935 5.047 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102498305 554941496 /nfs/dbraw/zinc/94/14/96/554941496.db2.gz VSRCKFPLXJIWEU-NHFXJNLRSA-N -1 0 541.448 6.145 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102498295 554941500 /nfs/dbraw/zinc/94/15/00/554941500.db2.gz VSRCKFPLXJIWEU-YDJIHCHBSA-N -1 0 541.448 6.145 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102508119 554945182 /nfs/dbraw/zinc/94/51/82/554945182.db2.gz KZIOSIHDEGXMNA-IUKMQXEJSA-N -1 0 530.602 5.647 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102513911 554947228 /nfs/dbraw/zinc/94/72/28/554947228.db2.gz ZBYOHNMGZZENJM-JBCNATCCSA-N -1 0 508.577 5.010 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102519069 554949064 /nfs/dbraw/zinc/94/90/64/554949064.db2.gz ONOGOGKPMIJYFT-MRJHHRETSA-N -1 0 555.837 6.347 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102525769 554951921 /nfs/dbraw/zinc/95/19/21/554951921.db2.gz LTKAENCPUTVORT-LFVOPCPISA-N -1 0 501.416 6.599 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102537302 554956227 /nfs/dbraw/zinc/95/62/27/554956227.db2.gz NEZJZKSWDLJSFR-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102539309 554956859 /nfs/dbraw/zinc/95/68/59/554956859.db2.gz JPQKMYXDRMIGMI-NXLSWJSLSA-N -1 0 544.585 5.117 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102539400 554956987 /nfs/dbraw/zinc/95/69/87/554956987.db2.gz SOAYPZBZCUOISZ-ZHHPLPSFSA-N -1 0 531.546 5.238 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000102545037 554958698 /nfs/dbraw/zinc/95/86/98/554958698.db2.gz FLIHKECCZYLUMX-YDJIHCHBSA-N -1 0 531.175 5.977 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102548980 554960772 /nfs/dbraw/zinc/96/07/72/554960772.db2.gz IPAUEBUFQPGGIC-FECHNCLXSA-N -1 0 565.420 6.148 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102549523 554961132 /nfs/dbraw/zinc/96/11/32/554961132.db2.gz VINNVDSSNVRWHP-WGGXKBPPSA-N -1 0 611.075 6.926 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102550622 554961740 /nfs/dbraw/zinc/96/17/40/554961740.db2.gz JVKAKSHLHFEMRQ-NXLSWJSLSA-N -1 0 527.558 5.565 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102572648 554971013 /nfs/dbraw/zinc/97/10/13/554971013.db2.gz JIGOREQASHXBHH-SBXHHDGASA-N -1 0 591.642 5.376 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102587649 554973596 /nfs/dbraw/zinc/97/35/96/554973596.db2.gz VNRCCDVYPQAPMW-CZNAVJSXSA-N -1 0 619.696 6.156 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102596382 554977045 /nfs/dbraw/zinc/97/70/45/554977045.db2.gz YMBNXRGZZOZVNI-SBXHHDGASA-N -1 0 608.097 5.890 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102597680 554977072 /nfs/dbraw/zinc/97/70/72/554977072.db2.gz VDVWQKUZTPBCGH-CJJGVWJISA-N -1 0 603.697 6.490 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606122 554978686 /nfs/dbraw/zinc/97/86/86/554978686.db2.gz VQCABXWELQQNRA-CPJLOUKISA-N -1 0 549.649 5.386 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606082 554978745 /nfs/dbraw/zinc/97/87/45/554978745.db2.gz MDOXMGKFDWYYDC-OYLFLEFRSA-N -1 0 535.622 5.140 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102620989 554986760 /nfs/dbraw/zinc/98/67/60/554986760.db2.gz BWSBEXMACLPHON-CZNAVJSXSA-N -1 0 620.152 7.005 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102624707 554988012 /nfs/dbraw/zinc/98/80/12/554988012.db2.gz JHQYXTFUCUPEGS-FPRSLYQBSA-N -1 0 609.704 7.072 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102627166 554988263 /nfs/dbraw/zinc/98/82/63/554988263.db2.gz SQMXMQUZELFKBI-ZHHPLPSFSA-N -1 0 596.061 6.020 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102652984 554996832 /nfs/dbraw/zinc/99/68/32/554996832.db2.gz WONYJSPSLHICTQ-OTQMSCLFSA-N -1 0 599.690 5.567 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102654057 554997802 /nfs/dbraw/zinc/99/78/02/554997802.db2.gz OBDJIKCBQWKQNK-ZHHPLPSFSA-N -1 0 579.428 5.465 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102654867 554998055 /nfs/dbraw/zinc/99/80/55/554998055.db2.gz ITVQGEYQNUMPBG-PLWHFILJSA-N -1 0 585.707 6.097 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102660273 555000176 /nfs/dbraw/zinc/00/01/76/555000176.db2.gz RKHMZLNNNWTEFP-HALAOQOWSA-N -1 0 594.089 6.573 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102667636 555001950 /nfs/dbraw/zinc/00/19/50/555001950.db2.gz DKXXGKSFOXWGCC-LFVOPCPISA-N -1 0 514.719 5.032 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102675399 555003794 /nfs/dbraw/zinc/00/37/94/555003794.db2.gz QXAIZQWVOSSERS-HALAOQOWSA-N -1 0 594.089 6.573 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102700279 555012921 /nfs/dbraw/zinc/01/29/21/555012921.db2.gz LAFANJREVHAFKE-NPJIAGGLSA-N -1 0 536.422 5.405 50 30 KKEARM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102705193 555014354 /nfs/dbraw/zinc/01/43/54/555014354.db2.gz KTHWANXJBSLOAC-NPJIAGGLSA-N -1 0 530.602 5.647 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102710385 555016412 /nfs/dbraw/zinc/01/64/12/555016412.db2.gz JKOPZSSXKXJOAY-IUKMQXEJSA-N -1 0 544.629 5.819 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102715977 555018469 /nfs/dbraw/zinc/01/84/69/555018469.db2.gz GUNMZNGXYWSPOT-HOGKFDNTSA-N -1 0 537.410 6.387 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102722574 555020389 /nfs/dbraw/zinc/02/03/89/555020389.db2.gz SWGCEHWJSRNVME-HOGKFDNTSA-N -1 0 537.410 6.387 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102727591 555022279 /nfs/dbraw/zinc/02/22/79/555022279.db2.gz NRWNMUDAERHPCO-NPJIAGGLSA-N -1 0 526.416 5.949 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102733242 555024304 /nfs/dbraw/zinc/02/43/04/555024304.db2.gz WXNFOXCFSFWUFY-CZNAVJSXSA-N -1 0 544.629 5.901 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102733303 555024365 /nfs/dbraw/zinc/02/43/65/555024365.db2.gz QHVBXNRPSJNWHZ-NXLSWJSLSA-N -1 0 500.576 5.502 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102735609 555025852 /nfs/dbraw/zinc/02/58/52/555025852.db2.gz AQEXSDXEEVLINK-KYWXLPDZSA-N -1 0 504.514 5.524 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736940 555026539 /nfs/dbraw/zinc/02/65/39/555026539.db2.gz CSORDWJNGNFVGM-YMCWBSDSSA-N -1 0 531.521 5.293 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771283 555060009 /nfs/dbraw/zinc/06/00/09/555060009.db2.gz UHFASTFAGTWKTI-YMCWBSDSSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771479 555060608 /nfs/dbraw/zinc/06/06/08/555060608.db2.gz CCBGHMPPSNXIIF-LHRXRZTBSA-N -1 0 503.967 5.294 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102863427 555093256 /nfs/dbraw/zinc/09/32/56/555093256.db2.gz HAMUZUFPOMNCCY-YDJIHCHBSA-N -1 0 561.443 5.878 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1 ZINC000102867700 555096966 /nfs/dbraw/zinc/09/69/66/555096966.db2.gz CYLVDLXPKPSPMI-NXLSWJSLSA-N -1 0 500.551 5.796 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000102868219 555097598 /nfs/dbraw/zinc/09/75/98/555097598.db2.gz WGDPEFJPAZPAHW-NPJIAGGLSA-N -1 0 527.602 5.369 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870507 555100652 /nfs/dbraw/zinc/10/06/52/555100652.db2.gz UHVXCIDVHLRYIN-YJMWBXFMSA-N -1 0 627.788 7.349 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874509 555104576 /nfs/dbraw/zinc/10/45/76/555104576.db2.gz HBDCCRXFAPMWQP-WOOAAIBNSA-N -1 0 547.416 5.488 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102882863 555111063 /nfs/dbraw/zinc/11/10/63/555111063.db2.gz WSYBYPDDOWEQBK-NXLSWJSLSA-N -1 0 535.021 6.373 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102882780 555111103 /nfs/dbraw/zinc/11/11/03/555111103.db2.gz PTZNZLBNZAIQDZ-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884343 555113225 /nfs/dbraw/zinc/11/32/25/555113225.db2.gz CDONGKQZFJKPBD-FSDXSRJSSA-N -1 0 606.125 6.442 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886063 555116288 /nfs/dbraw/zinc/11/62/88/555116288.db2.gz LRAVKVKLASRJQM-HAQIDCBSSA-N -1 0 591.483 6.407 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887295 555118800 /nfs/dbraw/zinc/11/88/00/555118800.db2.gz YZPKENIGULFGEA-WNQPQFFOSA-N -1 0 620.152 6.832 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887300 555118979 /nfs/dbraw/zinc/11/89/79/555118979.db2.gz YZPKENIGULFGEA-AMKIGSDESA-N -1 0 620.152 6.832 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887307 555118986 /nfs/dbraw/zinc/11/89/86/555118986.db2.gz BBQMRYCDWAPUOX-FZIYRNTBSA-N -1 0 617.724 6.708 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102888065 555120887 /nfs/dbraw/zinc/12/08/87/555120887.db2.gz LQPONVLMFCMRNH-MOBKVPTQSA-N -1 0 522.941 5.486 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889306 555123530 /nfs/dbraw/zinc/12/35/30/555123530.db2.gz RCMYYDQKANRILW-LXIOPLLASA-N -1 0 576.602 5.411 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102890226 555125219 /nfs/dbraw/zinc/12/52/19/555125219.db2.gz HOXAEDYQXMPAGZ-NXLSWJSLSA-N -1 0 527.558 5.565 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891188 555126821 /nfs/dbraw/zinc/12/68/21/555126821.db2.gz HCGBABHEXWJFNQ-OGHRCCBNSA-N -1 0 606.125 6.442 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102891278 555126867 /nfs/dbraw/zinc/12/68/67/555126867.db2.gz SJBLOZWZIUCVCX-HOGKFDNTSA-N -1 0 539.396 6.001 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102891657 555127492 /nfs/dbraw/zinc/12/74/92/555127492.db2.gz JXCNHQWCRJHISQ-SBXHHDGASA-N -1 0 532.021 6.014 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893382 555130680 /nfs/dbraw/zinc/13/06/80/555130680.db2.gz JVMCZBMULSOTSG-CJJGVWJISA-N -1 0 604.637 5.118 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102895446 555134385 /nfs/dbraw/zinc/13/43/85/555134385.db2.gz JDLZKCFRKQXHFM-IUKMQXEJSA-N -1 0 539.613 5.563 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897065 555137163 /nfs/dbraw/zinc/13/71/63/555137163.db2.gz ZHSFQIIDEAFQJI-NEMSTITPSA-N -1 0 571.680 5.789 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102897504 555137837 /nfs/dbraw/zinc/13/78/37/555137837.db2.gz QXKVWGXGEMNDAN-AYWGPLOBSA-N -1 0 579.428 5.465 50 30 KKEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(Cl)c(Cl)c2)n1 ZINC000102910098 555142404 /nfs/dbraw/zinc/14/24/04/555142404.db2.gz BYTAKEJXYKRKLM-VTCDDQIKSA-N -1 0 562.478 7.217 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000102925072 555149431 /nfs/dbraw/zinc/14/94/31/555149431.db2.gz PLXCAGJPOADPOF-MOBKVPTQSA-N -1 0 541.398 5.378 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102926825 555151494 /nfs/dbraw/zinc/15/14/94/555151494.db2.gz NUQQCOUHJBDLPL-DFXXOVSGSA-N -1 0 628.703 6.246 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102930137 555156494 /nfs/dbraw/zinc/15/64/94/555156494.db2.gz PWUDYMRKDCWQGG-HOGKFDNTSA-N -1 0 508.958 6.114 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102937674 555165672 /nfs/dbraw/zinc/16/56/72/555165672.db2.gz GANGEFSBEGNLFZ-QHCPKHFHSA-N -1 0 612.041 5.329 50 30 KKEARM Cc1c(Br)c([O-])c(Br)cc1C(c1ccccc1S(=O)(=O)[O-])=C1C=C(Br)C(=O)C(Br)=C1C ZINC000150339366 562843140 /nfs/dbraw/zinc/84/31/40/562843140.db2.gz INBQSOALTMPZQK-LGMDPLHJSA-N -1 0 698.021 6.805 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000103928911 571369961 /nfs/dbraw/zinc/36/99/61/571369961.db2.gz IXIGOZMKYFEVSS-YDJIHCHBSA-N -1 0 561.443 5.878 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000103929038 571370110 /nfs/dbraw/zinc/37/01/10/571370110.db2.gz GYUDLXVMAZJHKC-CJJGVWJISA-N -1 0 584.650 6.364 50 30 KKEARM CC(=Nc1ccc(Cl)cc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000104274590 571378198 /nfs/dbraw/zinc/37/81/98/571378198.db2.gz RVDHJMGGHFSISX-RWPZCVJISA-N -1 0 525.486 7.927 50 30 KKEARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000105974288 571409682 /nfs/dbraw/zinc/40/96/82/571409682.db2.gz XVYVTROWLQNUBH-UHFFFAOYSA-N -1 0 520.035 6.740 50 30 KKEARM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 ZINC000108448457 571424230 /nfs/dbraw/zinc/42/42/30/571424230.db2.gz QBHFNFLBWWPGKN-NRFANRHFSA-N -1 0 560.599 6.463 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1 ZINC000108448459 571424284 /nfs/dbraw/zinc/42/42/84/571424284.db2.gz QBHFNFLBWWPGKN-OAQYLSRUSA-N -1 0 560.599 6.463 50 30 biogenic KKEARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000137571535 571450472 /nfs/dbraw/zinc/45/04/72/571450472.db2.gz WVECGOSHLCROMP-RBZQAINGSA-N -1 0 520.010 5.212 50 30 KKEARM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150339971 571457666 /nfs/dbraw/zinc/45/76/66/571457666.db2.gz ZXHJIRSEEIEAQG-UHFFFAOYSA-N -1 0 808.141 9.263 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000150351472 571462272 /nfs/dbraw/zinc/46/22/72/571462272.db2.gz XQVFYBAPSAHODE-UVHMKAGCSA-N -1 0 616.196 7.313 50 30 KKEARM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1=CC=CC=CC1=[N+](CC)c2ccc(S(=O)(=O)[O-])cc2[C@]1(C)CCCC(=O)ON1C(=O)CCC1=O ZINC000150355133 571463087 /nfs/dbraw/zinc/46/30/87/571463087.db2.gz DHPDDVGVRRSIOX-BHVANESWSA-O -1 0 740.877 5.148 50 30 KKEARM CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000150355620 571463090 /nfs/dbraw/zinc/46/30/90/571463090.db2.gz OHTDDYMYQRYOJD-VFLNYLIXSA-N -1 0 633.431 8.133 50 30 KKEARM C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)c1ccccc1 ZINC000150355596 571463094 /nfs/dbraw/zinc/46/30/94/571463094.db2.gz SVDGBSMTASESAM-FTQFDPMJSA-N -1 0 699.377 6.931 50 30 KKEARM O=C(CSc1nc2ccc(/N=C\c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000150356113 571463161 /nfs/dbraw/zinc/46/31/61/571463161.db2.gz JYODBTMERIKLBI-AAPHRLRXSA-N -1 0 667.404 8.908 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000150391814 571474101 /nfs/dbraw/zinc/47/41/01/571474101.db2.gz JSTOTQSGCXBOQK-MIOXIQPJSA-N -1 0 640.714 6.412 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000150397903 571477004 /nfs/dbraw/zinc/47/70/04/571477004.db2.gz UWPLNCJJKBJIRZ-XYGWBWBKSA-N -1 0 632.563 6.942 50 30 KKEARM O=C([O-])c1ccc(C(=O)c2c3c(=O)n(-c4ccc(C(=O)/C=C/c5ccccc5)cc4)c(=O)c3cc3c(=O)n(-c4ccc(C(=O)/C=C/c5ccccc5)cc4)c(=O)c32)cc1 ZINC000150416299 571485821 /nfs/dbraw/zinc/48/58/21/571485821.db2.gz JFDNEGGCZCJKDB-KOZSXFMUSA-N -1 0 776.757 6.612 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418394 571486537 /nfs/dbraw/zinc/48/65/37/571486537.db2.gz JCTKKPYJMAPTQD-XTUFCYCQSA-N -1 0 647.750 6.717 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422217 571488235 /nfs/dbraw/zinc/48/82/35/571488235.db2.gz VVFUEDKKESHPCC-NBXYUPGTSA-N -1 0 689.831 7.743 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422222 571488323 /nfs/dbraw/zinc/48/83/23/571488323.db2.gz VVFUEDKKESHPCC-JNYBUSFRSA-N -1 0 689.831 7.743 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424588 571489173 /nfs/dbraw/zinc/48/91/73/571489173.db2.gz XJUWVZQRZBIWQF-NBXYUPGTSA-N -1 0 689.831 7.743 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C ZINC000150432935 571494254 /nfs/dbraw/zinc/49/42/54/571494254.db2.gz JKPRQEZJPPJMGG-SSEXGKCCSA-N -1 0 662.805 7.724 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCCC)c(OC)c2)nc1C ZINC000150432941 571494289 /nfs/dbraw/zinc/49/42/89/571494289.db2.gz JKPRQEZJPPJMGG-PMERELPUSA-N -1 0 662.805 7.724 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150432507 571494346 /nfs/dbraw/zinc/49/43/46/571494346.db2.gz VJCSTSLGBRFYMI-QFIPXVFZSA-N -1 0 627.012 5.229 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433283 571494489 /nfs/dbraw/zinc/49/44/89/571494489.db2.gz LAODITYOIOZXIK-QFIPXVFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433216 571494556 /nfs/dbraw/zinc/49/45/56/571494556.db2.gz RPRIMFQWZFVAEE-QFIPXVFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435020 571495086 /nfs/dbraw/zinc/49/50/86/571495086.db2.gz FPVFTTCDKDOMTH-ZHHPLPSFSA-N -1 0 630.506 6.674 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435808 571495905 /nfs/dbraw/zinc/49/59/05/571495905.db2.gz CZRCHTXRGJGTMN-TXTDGAROSA-N -1 0 642.686 5.613 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150442524 571498953 /nfs/dbraw/zinc/49/89/53/571498953.db2.gz MNQKQHMEYBXAKP-HOGKFDNTSA-N -1 0 616.460 5.817 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445089 571500049 /nfs/dbraw/zinc/50/00/49/571500049.db2.gz YYWQOSSROGXSSI-SMZGYIOJSA-N -1 0 639.129 7.487 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445196 571500061 /nfs/dbraw/zinc/50/00/61/571500061.db2.gz SFWZOGMPTPFLIR-SZYGQJGOSA-N -1 0 660.748 7.934 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445846 571500620 /nfs/dbraw/zinc/50/06/20/571500620.db2.gz OFZMUGYCGMCRGQ-QJGFIUGVSA-N -1 0 662.233 8.003 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453840 571503779 /nfs/dbraw/zinc/50/37/79/571503779.db2.gz CODIWSAMCZRTLB-NXLSWJSLSA-N -1 0 639.480 5.569 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000150457799 571504960 /nfs/dbraw/zinc/50/49/60/571504960.db2.gz BQOSLCLEHXRQHI-MIOXIQPJSA-N -1 0 635.138 7.315 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457410 571505066 /nfs/dbraw/zinc/50/50/66/571505066.db2.gz GOTFXUMMRMZYHF-QJGFIUGVSA-N -1 0 641.771 6.744 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457915 571505184 /nfs/dbraw/zinc/50/51/84/571505184.db2.gz OYVLFCJSEYMCOG-NBXYUPGTSA-N -1 0 665.768 7.498 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458493 571505530 /nfs/dbraw/zinc/50/55/30/571505530.db2.gz NCJXTFSZHJPPNU-HUVRIODYSA-N -1 0 677.848 8.502 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150459439 571505703 /nfs/dbraw/zinc/50/57/03/571505703.db2.gz MGBFBEXJEZOLBN-CFQDGGCTSA-N -1 0 672.759 8.100 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460308 571505892 /nfs/dbraw/zinc/50/58/92/571505892.db2.gz PSQUSMYICFTOTI-UZGIXAGNSA-N -1 0 692.259 8.011 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460574 571506038 /nfs/dbraw/zinc/50/60/38/571506038.db2.gz OGZWQOFRWNQHLP-NBXYUPGTSA-N -1 0 689.831 7.887 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150460658 571506088 /nfs/dbraw/zinc/50/60/88/571506088.db2.gz IEOXKJNPQFGQCR-VEZPTTSMSA-N -1 0 641.101 6.935 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460450 571506111 /nfs/dbraw/zinc/50/61/11/571506111.db2.gz ALQKXVGNBJDBLA-LHKMDIPOSA-N -1 0 661.777 7.107 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461051 571506325 /nfs/dbraw/zinc/50/63/25/571506325.db2.gz DYYSCCKMEOSIMP-JNYBUSFRSA-N -1 0 649.794 7.722 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462767 571506770 /nfs/dbraw/zinc/50/67/70/571506770.db2.gz RXELSXPDPPZQLN-NNZNMFTDSA-N -1 0 682.223 8.013 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463874 571507435 /nfs/dbraw/zinc/50/74/35/571507435.db2.gz GHIQIZFTIAXKMO-RWMNMRIUSA-N -1 0 657.814 7.358 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463850 571507473 /nfs/dbraw/zinc/50/74/73/571507473.db2.gz FWSCFIOLGYGWHX-QCRSBAEDSA-N -1 0 693.847 8.121 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466148 571507945 /nfs/dbraw/zinc/50/79/45/571507945.db2.gz MXAJRSUWDWHJCK-VXJPNWOUSA-N -1 0 645.778 7.488 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150469949 571508981 /nfs/dbraw/zinc/50/89/81/571508981.db2.gz KQNDPJWQAGXGHK-WGGXKBPPSA-N -1 0 694.231 7.459 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471597 571509722 /nfs/dbraw/zinc/50/97/22/571509722.db2.gz ZBTBGLGJEGZDSE-GRBPGWBESA-N -1 0 710.661 8.050 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150475148 571510688 /nfs/dbraw/zinc/51/06/88/571510688.db2.gz VANUDINXPKNXCS-MIOXIQPJSA-N -1 0 657.770 6.500 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150475100 571510730 /nfs/dbraw/zinc/51/07/30/571510730.db2.gz KWDAQVVVVWFOET-TXTDGAROSA-N -1 0 645.759 6.415 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476326 571510845 /nfs/dbraw/zinc/51/08/45/571510845.db2.gz HSXAVPDVGAGPRN-LHKMDIPOSA-N -1 0 696.678 8.512 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475835 571510864 /nfs/dbraw/zinc/51/08/64/571510864.db2.gz LAOGLNRQSDBICE-LOTNQUKISA-N -1 0 740.731 9.055 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150476833 571511081 /nfs/dbraw/zinc/51/10/81/571511081.db2.gz RFWJPSNBOKFQGD-TXTDGAROSA-N -1 0 664.205 7.306 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480663 571512103 /nfs/dbraw/zinc/51/21/03/571512103.db2.gz ISIQXNWITAGHAT-TXTDGAROSA-N -1 0 698.650 7.960 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150481693 571512800 /nfs/dbraw/zinc/51/28/00/571512800.db2.gz KLRNWIFWGCGFSE-SBXHHDGASA-N -1 0 642.542 6.543 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484877 571515382 /nfs/dbraw/zinc/51/53/82/571515382.db2.gz GKZPVEVDUNHMNT-GMBUILNLSA-N -1 0 644.989 7.740 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486357 571516355 /nfs/dbraw/zinc/51/63/55/571516355.db2.gz WGGTVAGDGFMINY-IZSGBISHSA-N -1 0 726.704 8.665 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150488567 571516827 /nfs/dbraw/zinc/51/68/27/571516827.db2.gz HYLRRDGDSNMCPX-CJJGVWJISA-N -1 0 636.151 6.670 50 30 KKEARM CCCCCCCCCCCCCCCCc1ccc(C(=O)[O-])cc1S(=O)(=O)N/N=c1\sc2ccc(S(=O)(=O)C(F)F)cc2n1C ZINC000150599720 571522566 /nfs/dbraw/zinc/52/25/66/571522566.db2.gz QVCBSCKXVOVPQN-JCUPVDEDSA-N -1 0 701.924 7.752 50 30 KKEARM Cc1cccn2c(=O)c(C=NNc3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Nc3ccc(SC(F)F)cc3)nc12 ZINC000170621872 571562778 /nfs/dbraw/zinc/56/27/78/571562778.db2.gz DBIIIQCWFGNYLG-MHDJOFBISA-N -1 0 686.122 6.870 50 30 KKEARM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1OC ZINC000217617762 571601714 /nfs/dbraw/zinc/60/17/14/571601714.db2.gz LBRJLXKPXIYOQQ-SFHVURJKSA-N -1 0 530.529 5.284 50 30 biogenic KKEARM COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)C1=O ZINC000217964255 571602757 /nfs/dbraw/zinc/60/27/57/571602757.db2.gz DWTYUANUZXYXKT-DNQXCXABSA-N -1 0 720.900 8.057 50 30 biogenic KKEARM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)C(=O)C1=O ZINC000218508881 571603706 /nfs/dbraw/zinc/60/37/06/571603706.db2.gz UYJJXHXBLZICNC-QZTJIDSGSA-N -1 0 632.462 5.253 50 30 KKEARM CCCCCCCCCCCc1cc([N+](=O)[O-])cc2c1OC1=CC(=O)C(=Nc3cc([N+](=O)[O-])ccc3[O-])C[C@@H]1N2 ZINC000261491354 572109668 /nfs/dbraw/zinc/10/96/68/572109668.db2.gz SURGNZICPDHZNG-DEOSSOPVSA-N -1 0 550.612 6.917 50 30 KKEARM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)c(OC)c5)c4=O)c32)cc1OC ZINC000263586581 572124283 /nfs/dbraw/zinc/12/42/83/572124283.db2.gz VXSDFOYTDMRXFX-IBGZPJMESA-N -1 0 544.556 5.587 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CCCc4c5cc(Cl)ccc5[nH]c43)C1=O)O2 ZINC000263586570 572124350 /nfs/dbraw/zinc/12/43/50/572124350.db2.gz VVZPTPXQBLANKB-IZUCGRKOSA-N -1 0 547.007 5.371 50 30 KKEARM COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc1 ZINC000263586749 572124679 /nfs/dbraw/zinc/12/46/79/572124679.db2.gz XOKKDHGZTNUGBP-LPGPRXSPSA-N -1 0 536.492 5.489 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CCCCCC)c2=O)nc1-c1ccccc1 ZINC000299738133 572133495 /nfs/dbraw/zinc/13/34/95/572133495.db2.gz ASDSRPBRJIRWHH-UHFFFAOYSA-N -1 0 643.938 10.907 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=Nc1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000252441298 572260948 /nfs/dbraw/zinc/26/09/48/572260948.db2.gz NPHVEVGEIMGNJA-UHFFFAOYSA-N -1 0 521.212 7.136 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Br)cc4)c3=O)n2)cc1 ZINC000252460076 572261204 /nfs/dbraw/zinc/26/12/04/572261204.db2.gz BLHAJHDYTRJENM-UHFFFAOYSA-N -1 0 532.423 5.800 50 30 KKEARM COc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)cc1OC ZINC000252595042 572266893 /nfs/dbraw/zinc/26/68/93/572266893.db2.gz BXUJHMLYPZGLCZ-UHFFFAOYSA-N -1 0 522.197 5.146 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000252596568 572266997 /nfs/dbraw/zinc/26/69/97/572266997.db2.gz CKPHXPMSALWYHS-CJUPBPKFSA-N -1 0 502.592 5.974 50 30 KKEARM COc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000252601061 572267390 /nfs/dbraw/zinc/26/73/90/572267390.db2.gz DXMBJYHPVVNOKI-KFPUUVEBSA-N -1 0 516.619 6.201 50 30 KKEARM CN(C)c1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000252601281 572267397 /nfs/dbraw/zinc/26/73/97/572267397.db2.gz DZFDATRPOVMIQB-UHFFFAOYSA-N -1 0 515.205 6.542 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000252602171 572267508 /nfs/dbraw/zinc/26/75/08/572267508.db2.gz FGCQAPYCOBVCCP-UHFFFAOYSA-N -1 0 525.977 5.430 50 30 KKEARM CCc1ccc(N=C2S/C(=C/c3cc(Cl)cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252613542 572268439 /nfs/dbraw/zinc/26/84/39/572268439.db2.gz JCPPAOVPLKYLDI-ZHXICNOMSA-N -1 0 541.898 7.742 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(I)cc1 ZINC000252613924 572268546 /nfs/dbraw/zinc/26/85/46/572268546.db2.gz JEUNXFZNVVGUTN-UHFFFAOYSA-N -1 0 521.771 5.259 50 30 KKEARM [O-]c1c(I)cc(Cl)cc1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000252615588 572268639 /nfs/dbraw/zinc/26/86/39/572268639.db2.gz JTBCKPKCAPFSJS-UHFFFAOYSA-N -1 0 509.130 6.862 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=Nc1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000252620305 572269376 /nfs/dbraw/zinc/26/93/76/572269376.db2.gz MBMXBDNORUAECC-UHFFFAOYSA-N -1 0 540.042 7.289 50 30 KKEARM COc1cc(/C=C2/SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000252621738 572269593 /nfs/dbraw/zinc/26/95/93/572269593.db2.gz NFUSLVBCZPEKII-KFPUUVEBSA-N -1 0 516.619 6.201 50 30 KKEARM Cc1ccc2cc(N=Cc3cc(I)cc(I)c3[O-])ccc2n1 ZINC000252622925 572269921 /nfs/dbraw/zinc/26/99/21/572269921.db2.gz OFZSBXAPRIFEQE-UHFFFAOYSA-N -1 0 514.104 5.209 50 30 KKEARM CCc1ccc(N=C2S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252623946 572270150 /nfs/dbraw/zinc/27/01/50/572270150.db2.gz PCTXDOBXJUSXOV-LEIWJKCUSA-N -1 0 552.450 6.996 50 30 KKEARM Cc1ccc2nc(-c3ccc(N=Cc4cc(I)cc(I)c4[O-])cc3)sc2c1 ZINC000252624840 572270254 /nfs/dbraw/zinc/27/02/54/572270254.db2.gz PWGASSSKJKMEBA-UHFFFAOYSA-N -1 0 596.231 6.937 50 30 KKEARM CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000252626297 572270470 /nfs/dbraw/zinc/27/04/70/572270470.db2.gz QZXPCMHKNGIKOC-VSIQJCIHSA-N -1 0 585.465 6.438 50 30 KKEARM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\SC(=Nc4ccccc4)N(Cc4ccco4)C3=O)cc2I)cc1 ZINC000252627291 572270682 /nfs/dbraw/zinc/27/06/82/572270682.db2.gz RQVUYXLEBNHQJB-QOAWVIAOSA-N -1 0 762.363 7.570 50 30 KKEARM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252629880 572271273 /nfs/dbraw/zinc/27/12/73/572271273.db2.gz UPJWBCCGZYEWRF-MALGGUPZSA-N -1 0 509.381 5.721 50 30 KKEARM COc1cc(/C=C2\SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000252634619 572271717 /nfs/dbraw/zinc/27/17/17/572271717.db2.gz WPHNXQHKYUSFKZ-HMMYDVIOSA-N -1 0 541.629 5.875 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000252637381 572271959 /nfs/dbraw/zinc/27/19/59/572271959.db2.gz XSNSDBBXWVAUMS-UHFFFAOYSA-N -1 0 622.071 6.101 50 30 KKEARM CCOc1cc(Br)c(Br)c(C=Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000252643837 572272496 /nfs/dbraw/zinc/27/24/96/572272496.db2.gz ZXPXDCXVRXMGFJ-UHFFFAOYSA-N -1 0 544.243 7.492 50 30 KKEARM O=c1c(N=Nc2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252643525 572272549 /nfs/dbraw/zinc/27/25/49/572272549.db2.gz ZVIINCPFSWFNES-UHFFFAOYSA-N -1 0 537.388 6.244 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@H]1CC[C@H]2O ZINC000252679309 572281289 /nfs/dbraw/zinc/28/12/89/572281289.db2.gz KQGBJEZYOYEOPW-VBIKENBGSA-N -1 0 522.686 5.057 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000252679552 572281436 /nfs/dbraw/zinc/28/14/36/572281436.db2.gz OBXWBUNTESSLRU-UHFFFAOYSA-N -1 0 530.584 10.281 50 30 KKEARM COc1ccc([C@H](CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c[nH]c3ccccc32)cc1 ZINC000253400900 572285133 /nfs/dbraw/zinc/28/51/33/572285133.db2.gz FFDWFYKAHJNHCB-QVYSEMLRSA-N -1 0 592.648 5.480 50 30 KKEARM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1 ZINC000253406878 572286512 /nfs/dbraw/zinc/28/65/12/572286512.db2.gz JJSVMLBUBJEKGD-XMMPIXPASA-N -1 0 547.047 7.999 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](c3ccco3)c3ccc(C)cc3)C1=O)O2 ZINC000253412823 572288278 /nfs/dbraw/zinc/28/82/78/572288278.db2.gz SDLYPVSSERQCAJ-RDJLMJCGSA-N -1 0 541.600 5.282 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](c3c(C)[nH]c4ccccc43)c3ccccc3)C1=O)O2 ZINC000253415049 572289162 /nfs/dbraw/zinc/28/91/62/572289162.db2.gz ZLDDHSFVIDXEAG-VCORQIIBSA-N -1 0 576.649 5.780 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253499695 572293793 /nfs/dbraw/zinc/29/37/93/572293793.db2.gz MISRCEKKHJVMIX-VFWAFESASA-N -1 0 574.718 5.504 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000253500026 572294021 /nfs/dbraw/zinc/29/40/21/572294021.db2.gz UERBGZSPLHPNNH-FEPGNMSWSA-N -1 0 521.654 5.225 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253502297 572295404 /nfs/dbraw/zinc/29/54/04/572295404.db2.gz BVRXYKXINDXTNL-BUKNUSMXSA-N -1 0 564.723 5.017 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000253503397 572295957 /nfs/dbraw/zinc/29/59/57/572295957.db2.gz LTSNJOBYKAGBLS-VMTVYFIJSA-N -1 0 632.882 9.131 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534094 572299814 /nfs/dbraw/zinc/29/98/14/572299814.db2.gz YWLYGSSMGSIXLN-ZUAQVDIQSA-N -1 0 670.851 5.120 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000254764550 572303508 /nfs/dbraw/zinc/30/35/08/572303508.db2.gz MBZDNWOFYBFREC-DJRZPZLQSA-N -1 0 893.184 14.115 50 30 KKEARM C=C(C)COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)ccc1OC ZINC000217797738 1071293108 /nfs/dbraw/zinc/29/31/08/1071293108.db2.gz VXDYVOMHJKDTSM-SFHVURJKSA-N -1 0 530.529 5.284 50 30 biogenic KKEARM O=C([O-])c1cccc(-c2ccc(C=NN=c3nc(N4CCCCCC4)[nH]c(N4CCCCCC4)n3)o2)c1 ZINC000828558943 1071340032 /nfs/dbraw/zinc/34/00/32/1071340032.db2.gz OURLPIFMWXHHAZ-TURZUDJPSA-N -1 0 503.607 5.037 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000254557512 1072863957 /nfs/dbraw/zinc/86/39/57/1072863957.db2.gz CYUFCOZUFWTFOM-UHFFFAOYSA-N -1 0 533.610 5.566 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=C(Br)Cc1ccccc1 ZINC000254590697 1072865889 /nfs/dbraw/zinc/86/58/89/1072865889.db2.gz CRTWZGIDMWGYMF-VNQJEPLSSA-N -1 0 531.388 5.238 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000254749934 1072876195 /nfs/dbraw/zinc/87/61/95/1072876195.db2.gz UNSZGLILXVYAFK-UHFFFAOYSA-N -1 0 508.478 5.259 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000000631377 551505082 /nfs/dbraw/zinc/50/50/82/551505082.db2.gz ORGRCOUWMCHZCD-LJQANCHMSA-N -1 0 512.971 5.073 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000000702941 551529898 /nfs/dbraw/zinc/52/98/98/551529898.db2.gz VCGGMRRONIMNJB-NDEPHWFRSA-N -1 0 594.645 6.771 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1 ZINC000000703139 551530603 /nfs/dbraw/zinc/53/06/03/551530603.db2.gz JAVBZXOIYYCHAM-JOCHJYFZSA-N -1 0 502.573 6.286 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000000703136 551530690 /nfs/dbraw/zinc/53/06/90/551530690.db2.gz PZLLSQDSCDPDGB-DEOSSOPVSA-N -1 0 514.534 6.363 50 30 KKEARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000000718128 551535084 /nfs/dbraw/zinc/53/50/84/551535084.db2.gz RWAYGMISOWDGPF-GJBXTBEHSA-N -1 0 538.644 6.548 50 30 KKEARM N#C[C@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[n-]n(-c2ncc(-c3ccccc3)s2)c1=O)c1ccc(Br)cc1 ZINC000000827886 551545558 /nfs/dbraw/zinc/54/55/58/551545558.db2.gz WDJJNDKORIKLCU-GMAHTHKFSA-N -1 0 570.472 5.888 50 30 KKEARM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000000896717 551564263 /nfs/dbraw/zinc/56/42/63/551564263.db2.gz YEEZWCHGZNKEEK-UHFFFAOYSA-N -1 0 575.687 6.271 50 30 fda KKEARM CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077243 551604470 /nfs/dbraw/zinc/60/44/70/551604470.db2.gz YPGWWTUKKRPLAV-JYRCXFKTSA-N -1 0 531.565 5.696 50 30 KKEARM CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OCC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077419 551604905 /nfs/dbraw/zinc/60/49/05/551604905.db2.gz GLNIPDWENLHMFW-RBSBEOHCSA-N -1 0 545.592 6.086 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000001087302 551606658 /nfs/dbraw/zinc/60/66/58/551606658.db2.gz GZAIXMXJTDVSOM-RTWAWAEBSA-N -1 0 524.831 6.012 50 30 KKEARM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000001098451 551608226 /nfs/dbraw/zinc/60/82/26/551608226.db2.gz XXDSJEHWHZVECD-XDHOZWIPSA-N -1 0 508.386 5.275 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000001175424 551620726 /nfs/dbraw/zinc/62/07/26/551620726.db2.gz QJWJZTNUTYDFGW-SONOPUAISA-N -1 0 529.524 5.499 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243791 551631208 /nfs/dbraw/zinc/63/12/08/551631208.db2.gz SEZWZILQHINOLR-IIMAJNMQSA-N -1 0 542.563 5.378 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001408995 551663719 /nfs/dbraw/zinc/66/37/19/551663719.db2.gz ZWCCIAFPQROLIE-JPZYQRIQSA-N -1 0 510.590 5.769 50 30 KKEARM CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409579 551664179 /nfs/dbraw/zinc/66/41/79/551664179.db2.gz IPCJTAUIHNCYMX-CGDLVVIGSA-N -1 0 597.712 6.315 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409612 551664190 /nfs/dbraw/zinc/66/41/90/551664190.db2.gz JHHHAPPYPUVOJT-JRPXNJEYSA-N -1 0 515.009 6.414 50 30 KKEARM CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C=Nc4ccccc4C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000001434052 551670479 /nfs/dbraw/zinc/67/04/79/551670479.db2.gz WGMXUWPLROIYEX-DOSGIIKKSA-N -1 0 542.591 5.737 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001451432 551675971 /nfs/dbraw/zinc/67/59/71/551675971.db2.gz FTMBNLNDEOZMMM-NRFANRHFSA-N -1 0 523.408 6.306 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457409 551677075 /nfs/dbraw/zinc/67/70/75/551677075.db2.gz PQRIYVITRYNSCS-ROTAYESASA-N -1 0 526.589 5.469 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000001457467 551677103 /nfs/dbraw/zinc/67/71/03/551677103.db2.gz BGNYIUFAMQMHFF-FLASPHMUSA-N -1 0 552.671 6.758 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000001464739 551679972 /nfs/dbraw/zinc/67/99/72/551679972.db2.gz PDHCAPGFNALBJQ-GOSISDBHSA-N -1 0 517.390 5.718 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480158 551681562 /nfs/dbraw/zinc/68/15/62/551681562.db2.gz JRMICMNWKBFTPR-QHCPKHFHSA-N -1 0 536.993 5.758 50 30 KKEARM C=CC(C)(C)c1[nH]c2ccccc2c1C1=C([O-])C(=O)C(c2c[nH]c3c2cccc3CC=C(C)C)C(=O)C1=O ZINC000001489867 551682937 /nfs/dbraw/zinc/68/29/37/551682937.db2.gz XMGNJVXBPZAETK-UHFFFAOYSA-N -1 0 506.602 7.012 50 30 aggregator,in-vitro KKEARM CCCc1sc(/N=C/c2c3c(cc(Br)c2[O-])oc2c3CCCC2)c(C(=O)OCC)c1C ZINC000001786846 551700892 /nfs/dbraw/zinc/70/08/92/551700892.db2.gz JRHAVLGKHRIQHT-RPPGKUMJSA-N -1 0 504.446 7.029 50 30 KKEARM COc1ccc(NC(=Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)NC(=O)c2ccccc2)cc1 ZINC000001838392 551713020 /nfs/dbraw/zinc/71/30/20/551713020.db2.gz XXUDBLNALRNNHB-UHFFFAOYSA-N -1 0 542.646 5.210 50 30 KKEARM CCOc1cc(Br)c(Br)c(/C=N/c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000001955157 551735790 /nfs/dbraw/zinc/73/57/90/551735790.db2.gz XBIOMIZYUUBOQB-KBKYJPHKSA-N -1 0 546.215 6.889 50 30 KKEARM COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002071748 551747545 /nfs/dbraw/zinc/74/75/45/551747545.db2.gz BTHUGKQGXIIZRN-BHGWPJFGSA-N -1 0 502.162 6.485 50 30 KKEARM CCc1ccccc1/N=C1\S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000002081770 551751738 /nfs/dbraw/zinc/75/17/38/551751738.db2.gz LQESSZXYFUMSCO-XNLNZBGWSA-N -1 0 586.349 7.851 50 30 KKEARM CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000002162758 551781102 /nfs/dbraw/zinc/78/11/02/551781102.db2.gz BDKGXSMEJWHBQG-UHFFFAOYSA-N -1 0 544.088 6.298 50 30 KKEARM O=C([O-])COc1ccc(Br)cc1/C=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000002187985 551788197 /nfs/dbraw/zinc/78/81/97/551788197.db2.gz UPJWBCCGZYEWRF-SXVBQMOPSA-N -1 0 509.381 5.721 50 30 KKEARM CCCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002267360 551804650 /nfs/dbraw/zinc/80/46/50/551804650.db2.gz KWSVCTJKWJJLPO-WGOQTCKBSA-N -1 0 521.297 7.768 50 30 KKEARM C=CCn1c([N-]S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002311624 552090947 /nfs/dbraw/zinc/09/09/47/552090947.db2.gz ZDZYSHLGVPSOBA-UHFFFAOYSA-N -1 0 532.647 5.021 50 30 KKEARM Cc1cccc(C)c1OS(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Oc3c(C)cccc3C)ccc1-2 ZINC000002689988 552158121 /nfs/dbraw/zinc/15/81/21/552158121.db2.gz SSIHDKHUYQUUDB-UHFFFAOYSA-N -1 0 563.653 5.663 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nc(-c3ccc(OC)cc3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000002746413 552173826 /nfs/dbraw/zinc/17/38/26/552173826.db2.gz IFUTTZRCAHFVHG-IBGZPJMESA-N -1 0 552.678 5.356 50 30 KKEARM COc1cc(Br)c(Br)c(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1O ZINC000002751400 552175992 /nfs/dbraw/zinc/17/59/92/552175992.db2.gz UNIZFNZVGMYOKL-YSURURNPSA-N -1 0 518.161 6.190 50 30 KKEARM O=C([N-]c1c(F)c(F)c(Br)c(F)c1F)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002780272 552188247 /nfs/dbraw/zinc/18/82/47/552188247.db2.gz HONHFFZSLHZVTE-UHFFFAOYSA-N -1 0 523.162 5.579 50 30 KKEARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccccc2SC(F)(F)C(F)(F)C(F)(F)F)C1=O ZINC000002842041 552199445 /nfs/dbraw/zinc/19/94/45/552199445.db2.gz MQERBWLDGKAAKJ-LBPRGKRZSA-N -1 0 528.427 5.087 50 30 KKEARM COc1ccc(NC(=Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000002848125 552200667 /nfs/dbraw/zinc/20/06/67/552200667.db2.gz WMSIIUIVDXDRIX-UHFFFAOYSA-N -1 0 554.459 5.907 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 ZINC000003089547 552286324 /nfs/dbraw/zinc/28/63/24/552286324.db2.gz RAGLLWJFMQHIQK-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM Cc1ccc2sc(-c3ccc(/N=C/c4c(C)c(Br)c([O-])c(Br)c4O)cc3)nc2c1 ZINC000003090325 552286723 /nfs/dbraw/zinc/28/67/23/552286723.db2.gz CFWIPDHCGKJICO-KIBLKLHPSA-N -1 0 532.257 7.267 50 30 KKEARM O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc([O-])c(-c4nc5ccccc5s4)c3)cc2)c([N+](=O)[O-])c1 ZINC000003092144 552287009 /nfs/dbraw/zinc/28/70/09/552287009.db2.gz ITFVXVFWLCFZQX-JFLMPSFJSA-N -1 0 512.503 7.028 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000003092035 552287016 /nfs/dbraw/zinc/28/70/16/552287016.db2.gz WJTFWWVDZSVZKN-YSURURNPSA-N -1 0 553.581 6.972 50 30 KKEARM Cc1ccc2nc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3[O-])oc2c1 ZINC000003116379 552290354 /nfs/dbraw/zinc/29/03/54/552290354.db2.gz ZFOQRPVODAHQMP-OKCVXOCRSA-N -1 0 527.374 7.241 50 30 KKEARM O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(I)cc4)nc3c2)c([O-])c([N+](=O)[O-])c1 ZINC000003144745 552296922 /nfs/dbraw/zinc/29/69/22/552296922.db2.gz FJBGFIGHWNTAQO-LSHDLFTRSA-N -1 0 530.234 5.372 50 30 KKEARM Cc1cc2nc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4[O-])c3)oc2cc1C ZINC000003192681 552302407 /nfs/dbraw/zinc/30/24/07/552302407.db2.gz WOHPDLXLFHADEE-OPEKNORGSA-N -1 0 500.190 7.093 50 30 KKEARM COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1 ZINC000003669064 552410482 /nfs/dbraw/zinc/41/04/82/552410482.db2.gz LQWVRASBDXZOTP-LUOAPIJWSA-N -1 0 546.457 6.577 50 30 KKEARM Cc1cccc(N=C2C(=O)N(CCCCCC(=O)[O-])[C@H](c3ccc(F)cc3)C2C(=O)c2ccc(Cl)cc2)c1 ZINC000003671930 552412495 /nfs/dbraw/zinc/41/24/95/552412495.db2.gz XDCFFJPBQMJARW-MUUNZHRXSA-N -1 0 535.015 6.565 50 30 KKEARM O=c1sc2ccccc2c([O-])c1[C@@H](CC(=NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000004017653 552428594 /nfs/dbraw/zinc/42/85/94/552428594.db2.gz ZJRKWEFHLSKNRW-ASMUMFRNSA-N -1 0 631.595 9.435 50 30 KKEARM Cc1c(/N=C/c2cc(I)cc(I)c2[O-])cccc1-c1nc2ncccc2o1 ZINC000004046726 552431074 /nfs/dbraw/zinc/43/10/74/552431074.db2.gz YJFJMNDYQCBKLT-YSURURNPSA-N -1 0 581.151 5.864 50 30 KKEARM Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(Br)=C2)cc(Br)c1O ZINC000004256508 552452904 /nfs/dbraw/zinc/45/29/04/552452904.db2.gz HJZFRHKAXRLQSG-XMHGGMMESA-N -1 0 540.229 5.320 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C\c3cc(Br)cc(Br)c3[O-])cc2)[C@H]1c1ccccc1 ZINC000004577868 552468960 /nfs/dbraw/zinc/46/89/60/552468960.db2.gz NSSMEGKABSENDU-USSLSWMJSA-N -1 0 574.272 7.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000005355134 552498301 /nfs/dbraw/zinc/49/83/01/552498301.db2.gz HBJUQQYSRAUAOQ-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355426 552498622 /nfs/dbraw/zinc/49/86/22/552498622.db2.gz KOPJVESHNJQPNM-RUZDIDTESA-N -1 0 576.671 6.073 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357280 552499749 /nfs/dbraw/zinc/49/97/49/552499749.db2.gz JYCUKPBWJZSVNC-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000005927725 552513036 /nfs/dbraw/zinc/51/30/36/552513036.db2.gz GLTAZSUVMUFFPX-JOCHJYFZSA-N -1 0 536.581 5.423 50 30 KKEARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000006141948 552542996 /nfs/dbraw/zinc/54/29/96/552542996.db2.gz IHBBNXZEZXBEED-QGZVFWFLSA-N -1 0 546.432 5.286 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000006143492 552545221 /nfs/dbraw/zinc/54/52/21/552545221.db2.gz CLEGOJOLOWANOT-HSZRJFAPSA-N -1 0 536.631 5.947 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006150607 552551416 /nfs/dbraw/zinc/55/14/16/552551416.db2.gz ZHZRYSKJTKPGCJ-HSZRJFAPSA-N -1 0 579.587 5.115 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000006460820 552590169 /nfs/dbraw/zinc/59/01/69/552590169.db2.gz MBMXBDNORUAECC-KIBLKLHPSA-N -1 0 540.042 7.289 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000008383414 552986511 /nfs/dbraw/zinc/98/65/11/552986511.db2.gz WTDQSOGZKIBMRO-SANMLTNESA-N -1 0 634.135 7.420 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000008383410 552986578 /nfs/dbraw/zinc/98/65/78/552986578.db2.gz WTDQSOGZKIBMRO-AREMUKBSSA-N -1 0 634.135 7.420 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383407 552986595 /nfs/dbraw/zinc/98/65/95/552986595.db2.gz AFJDHUDRDUPQTC-NRFANRHFSA-N -1 0 566.085 7.074 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1O ZINC000008383464 552986791 /nfs/dbraw/zinc/98/67/91/552986791.db2.gz LFQNVNJPIDUGLU-RUZDIDTESA-N -1 0 603.653 6.603 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)cc3)s2)cc1 ZINC000008384005 552988246 /nfs/dbraw/zinc/98/82/46/552988246.db2.gz QTSGSSZGHKFXRY-WJOKGBTCSA-N -1 0 645.762 8.247 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384064 552988915 /nfs/dbraw/zinc/98/89/15/552988915.db2.gz QWFKBEYTFLQWEP-DEOSSOPVSA-N -1 0 606.081 6.727 50 30 KKEARM Cc1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])c(C)c3)nc2c1 ZINC000008386710 552992630 /nfs/dbraw/zinc/99/26/30/552992630.db2.gz VBFDHLSBVRDRGW-OPEKNORGSA-N -1 0 594.190 6.777 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000008396577 552995486 /nfs/dbraw/zinc/99/54/86/552995486.db2.gz PUESMGTUNCMNRY-JJKYIXSRSA-N -1 0 522.417 6.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000008397565 552997000 /nfs/dbraw/zinc/99/70/00/552997000.db2.gz ALVQXIDGWIDTDJ-BYNJWEBRSA-N -1 0 532.969 5.599 50 30 KKEARM O=c1c(N=Nc2ccc(I)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008397639 552997332 /nfs/dbraw/zinc/99/73/32/552997332.db2.gz NLRQISWPTBZGQZ-SLMZUGIISA-N -1 0 549.397 5.634 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc(C(F)(F)F)ccc4Cl)c3=O)n2)cc1 ZINC000008398109 552998336 /nfs/dbraw/zinc/99/83/36/552998336.db2.gz KXYOETSYNCUGBF-SNCSUOKWSA-N -1 0 555.969 6.710 50 30 KKEARM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000008398410 552998932 /nfs/dbraw/zinc/99/89/32/552998932.db2.gz YXCVSPDPSODQPU-JDCMOKTRSA-N -1 0 570.394 6.810 50 30 KKEARM COCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N\c1ccccc1 ZINC000008400649 553005272 /nfs/dbraw/zinc/00/52/72/553005272.db2.gz VAMIKXKGEJPUIE-HVSIYQNKSA-N -1 0 614.461 5.819 50 30 KKEARM COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000008406775 553007404 /nfs/dbraw/zinc/00/74/04/553007404.db2.gz NDIRVCOMABUKMR-KBKYJPHKSA-N -1 0 607.349 7.017 50 30 KKEARM CCCCc1ccc(/N=C/c2cc(I)cc(I)c2[O-])c(C)c1 ZINC000008426944 553019062 /nfs/dbraw/zinc/01/90/62/553019062.db2.gz IDCVSUPWAIENNB-SRZZPIQSSA-N -1 0 519.164 6.003 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000008427634 553020311 /nfs/dbraw/zinc/02/03/11/553020311.db2.gz BFURCHACHZIBGR-FOKLQQMPSA-N -1 0 565.152 5.895 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Br)cc4)c3=O)n2)cc1 ZINC000008430757 553021997 /nfs/dbraw/zinc/02/19/97/553021997.db2.gz BLHAJHDYTRJENM-FAJYDZGRSA-N -1 0 532.423 5.800 50 30 KKEARM Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)c1 ZINC000008435545 553030732 /nfs/dbraw/zinc/03/07/32/553030732.db2.gz CTPSRSLADGPISX-OPEKNORGSA-N -1 0 594.190 6.777 50 30 KKEARM CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000008437877 553032120 /nfs/dbraw/zinc/03/21/20/553032120.db2.gz QEEODYCPMLXXIL-UHFFFAOYSA-N -1 0 560.485 5.627 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000008437885 553032158 /nfs/dbraw/zinc/03/21/58/553032158.db2.gz GBCOEKIBDSICNL-UHFFFAOYSA-N -1 0 612.550 7.351 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000008437934 553032469 /nfs/dbraw/zinc/03/24/69/553032469.db2.gz ZFFRPJRORJAKTO-UHFFFAOYSA-N -1 0 526.416 6.070 50 30 KKEARM COc1ccccc1[C@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008439949 553036288 /nfs/dbraw/zinc/03/62/88/553036288.db2.gz KZILOVKZHBEZGJ-NRFANRHFSA-N -1 0 532.312 6.259 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441140 553039542 /nfs/dbraw/zinc/03/95/42/553039542.db2.gz HRVWJIUOTWQXAW-HSZRJFAPSA-N -1 0 532.574 5.591 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441216 553039949 /nfs/dbraw/zinc/03/99/49/553039949.db2.gz CRPJMSWAZJSHFV-HSZRJFAPSA-N -1 0 541.610 6.065 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1cc2ccccc2o1 ZINC000008441270 553040134 /nfs/dbraw/zinc/04/01/34/553040134.db2.gz XEOVDIIBNWMQMX-QHCPKHFHSA-N -1 0 543.601 6.499 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441225 553040145 /nfs/dbraw/zinc/04/01/45/553040145.db2.gz MUJFCCUJMRIPPP-GDLZYMKVSA-N -1 0 617.708 8.152 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441754 553042267 /nfs/dbraw/zinc/04/22/67/553042267.db2.gz DFPLGEHZUMTFMI-SSEXGKCCSA-N -1 0 588.641 8.016 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)o1 ZINC000008441803 553042302 /nfs/dbraw/zinc/04/23/02/553042302.db2.gz VJXQFUYZZURFSZ-AREMUKBSSA-N -1 0 579.659 7.414 50 30 KKEARM CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000008461814 553075408 /nfs/dbraw/zinc/07/54/08/553075408.db2.gz REKVUGYOZDTLSS-UHFFFAOYSA-N -1 0 516.432 5.228 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000008827793 553156983 /nfs/dbraw/zinc/15/69/83/553156983.db2.gz XULUFLHLTVOAIM-LJQANCHMSA-N -1 0 503.736 5.190 50 30 KKEARM Cc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000008872931 553174654 /nfs/dbraw/zinc/17/46/54/553174654.db2.gz RFHHIDGTVPLCNA-UXHLAJHPSA-N -1 0 583.609 5.351 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008900003 553181102 /nfs/dbraw/zinc/18/11/02/553181102.db2.gz BXUQAMPLIZSQJO-QFIPXVFZSA-N -1 0 508.502 5.375 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000008952073 553193956 /nfs/dbraw/zinc/19/39/56/553193956.db2.gz XZQMIPVTDDAICD-TXOYAAFXSA-N -1 0 502.592 5.661 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000008952316 553193995 /nfs/dbraw/zinc/19/39/95/553193995.db2.gz FTQDJVZNPJRVPG-APRYPNCWSA-N -1 0 512.731 6.983 50 30 biogenic KKEARM Cc1cc(C)c(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000008983538 553196083 /nfs/dbraw/zinc/19/60/83/553196083.db2.gz CVWPELNPZDGMIA-JVCXMKTPSA-N -1 0 510.579 5.863 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009007741 553198354 /nfs/dbraw/zinc/19/83/54/553198354.db2.gz LTGKZKZRAVRCDE-QHCPKHFHSA-N -1 0 520.563 5.397 50 30 KKEARM COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000009019170 553201025 /nfs/dbraw/zinc/20/10/25/553201025.db2.gz QOIIOCMGPOGDHM-JPZYQRIQSA-N -1 0 510.590 5.769 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009042298 553202684 /nfs/dbraw/zinc/20/26/84/553202684.db2.gz TZDHCVAYGOJTMK-FQEVSTJZSA-N -1 0 509.356 5.981 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009065487 553205887 /nfs/dbraw/zinc/20/58/87/553205887.db2.gz KTPAVFHNMSJOBP-WRGVRERRSA-N -1 0 515.009 6.414 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009065486 553205908 /nfs/dbraw/zinc/20/59/08/553205908.db2.gz KTPAVFHNMSJOBP-WENCNXQZSA-N -1 0 515.009 6.414 50 30 KKEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 ZINC000009087240 553208502 /nfs/dbraw/zinc/20/85/02/553208502.db2.gz MZDXCCPFWCDAND-JFLMPSFJSA-N -1 0 506.584 5.103 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009186503 553217647 /nfs/dbraw/zinc/21/76/47/553217647.db2.gz DCMXOJHVOCGNTO-IBGZPJMESA-N -1 0 501.416 6.756 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccnc2)C1=C([O-])c1ccc(F)cc1 ZINC000009210740 553220875 /nfs/dbraw/zinc/22/08/75/553220875.db2.gz PFBFYOSZGYUSEO-HXUWFJFHSA-N -1 0 504.568 5.147 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009235611 553225393 /nfs/dbraw/zinc/22/53/93/553225393.db2.gz NXTFVVMIBYMOJC-JOCHJYFZSA-N -1 0 501.520 5.386 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009236348 553225655 /nfs/dbraw/zinc/22/56/55/553225655.db2.gz UNCBWENEEHWTPI-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009272796 553231965 /nfs/dbraw/zinc/23/19/65/553231965.db2.gz SSYHZGGVVDVVAS-FQEVSTJZSA-N -1 0 513.384 5.305 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000009273696 553232185 /nfs/dbraw/zinc/23/21/85/553232185.db2.gz VVJGRNLRKDNXGU-HXUWFJFHSA-N -1 0 509.381 6.052 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N/c3ccc(CC)cc3)N(C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000009305826 553236812 /nfs/dbraw/zinc/23/68/12/553236812.db2.gz OYWFIVAPLIEZHA-VTNZUCANSA-N -1 0 519.417 5.107 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329485 553242412 /nfs/dbraw/zinc/24/24/12/553242412.db2.gz HNNJYIFHCVQULG-OVWNDWIMSA-N -1 0 502.379 5.260 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000009349676 553244961 /nfs/dbraw/zinc/24/49/61/553244961.db2.gz JNBCFGIUVWLQOZ-LJQANCHMSA-N -1 0 508.556 5.049 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccncc2)o1 ZINC000009356996 553246730 /nfs/dbraw/zinc/24/67/30/553246730.db2.gz DGNFYOKPGWRCKU-LJQANCHMSA-N -1 0 508.556 5.049 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009357537 553246916 /nfs/dbraw/zinc/24/69/16/553246916.db2.gz DBTLCABPVWVVCQ-BSEYFRJRSA-N -1 0 516.550 5.550 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(O)cc3)s2)cc1 ZINC000009360032 553248269 /nfs/dbraw/zinc/24/82/69/553248269.db2.gz UPTGRPJUWYYGSR-FQEVSTJZSA-N -1 0 505.577 5.220 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000009373704 553250443 /nfs/dbraw/zinc/25/04/43/553250443.db2.gz BJXZYXRYEDKUGE-NRFANRHFSA-N -1 0 501.589 5.319 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000012311287 553357161 /nfs/dbraw/zinc/35/71/61/553357161.db2.gz LSCJEUMKYIPMHH-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000012411383 553363381 /nfs/dbraw/zinc/36/33/81/553363381.db2.gz FANTWRKFOPMDJF-VOIUYBSRSA-N -1 0 526.611 5.321 50 30 KKEARM CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(OCC)c2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000012469656 553368150 /nfs/dbraw/zinc/36/81/50/553368150.db2.gz QXVMPKBHVCDYJH-DASRABTFSA-N -1 0 510.443 5.858 50 30 KKEARM COc1ccc(CON=CNC([O-])=C(c2ccc(Cl)cc2)c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000012952065 553428757 /nfs/dbraw/zinc/42/87/57/553428757.db2.gz VPBVICVEXYGEDG-QFIPXVFZSA-N -1 0 528.918 5.719 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000013550645 553470142 /nfs/dbraw/zinc/47/01/42/553470142.db2.gz IGQDBMVSZGYJAR-JOCHJYFZSA-N -1 0 509.414 6.948 50 30 KKEARM CCOc1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000013896313 553494743 /nfs/dbraw/zinc/49/47/43/553494743.db2.gz AMNGXBFZZHDJKR-OLFWJLLRSA-N -1 0 512.551 5.336 50 30 KKEARM O=C(/C=C/c1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1)c1ccc(C2CCCCC2)cc1 ZINC000014361190 553514304 /nfs/dbraw/zinc/51/43/04/553514304.db2.gz FPFGWASODAZYQR-GHRIWEEISA-N -1 0 513.619 6.481 50 30 KKEARM [O-]c1c(I)cc(Cl)cc1/C=N\c1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000015134294 553528189 /nfs/dbraw/zinc/52/81/89/553528189.db2.gz KDFCGNPQKUBLQK-RMORIDSASA-N -1 0 506.752 6.383 50 30 KKEARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C=Nc4cccc(C(=O)[O-])c4)c4ccccc4C3c3ccccc32)cc1 ZINC000015133843 553528223 /nfs/dbraw/zinc/52/82/23/553528223.db2.gz FFBCTMOFWIQYFC-OBEXZOCKSA-N -1 0 512.565 5.647 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000016730277 553576443 /nfs/dbraw/zinc/57/64/43/553576443.db2.gz QFLPQSWKAXIIMG-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016732174 553577530 /nfs/dbraw/zinc/57/75/30/553577530.db2.gz GKYKXRIQYCHILN-IBGZPJMESA-N -1 0 517.390 5.752 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccncc2)cc1 ZINC000016742003 553580014 /nfs/dbraw/zinc/58/00/14/553580014.db2.gz BSNGTCPDMQCYTL-OAQYLSRUSA-N -1 0 516.604 5.017 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000016742031 553580117 /nfs/dbraw/zinc/58/01/17/553580117.db2.gz OZTKTTMOKXUMOE-NRFANRHFSA-N -1 0 516.604 5.017 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016742283 553580140 /nfs/dbraw/zinc/58/01/40/553580140.db2.gz XXXJXWKBAOZVSS-LJQANCHMSA-N -1 0 508.939 5.421 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccs2)C1=C([O-])c1ccc(F)cc1 ZINC000016742629 553580635 /nfs/dbraw/zinc/58/06/35/553580635.db2.gz SREWBZMDRLECBN-LJQANCHMSA-N -1 0 509.609 5.814 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cccc(F)c2)nc1C ZINC000016805467 553582810 /nfs/dbraw/zinc/58/28/10/553582810.db2.gz YHERJSRYHOWWCJ-HXUWFJFHSA-N -1 0 510.518 5.164 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016805429 553582880 /nfs/dbraw/zinc/58/28/80/553582880.db2.gz AZYAVCLMOAJJQI-SFHVURJKSA-N -1 0 500.935 5.122 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000016944389 553584314 /nfs/dbraw/zinc/58/43/14/553584314.db2.gz OZTRAEDZTGSMAI-MRXNPFEDSA-N -1 0 510.196 5.995 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000017208673 553590665 /nfs/dbraw/zinc/59/06/65/553590665.db2.gz JOMQWWATBPFASO-LJQANCHMSA-N -1 0 508.556 5.049 50 30 KKEARM O=[N+]([O-])c1c(/C=N/c2ccccc2)oc(-c2c(O)ccc3ccccc32)c1-c1c([O-])ccc2ccccc21 ZINC000017223137 553590906 /nfs/dbraw/zinc/59/09/06/553590906.db2.gz WXDGLWDETSFPKY-KCSSXMTESA-N -1 0 500.510 7.990 50 30 KKEARM COc1ccc(/N=C2\S/C(=C\c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000017413632 553595370 /nfs/dbraw/zinc/59/53/70/553595370.db2.gz HPOHKGREBAHZOG-CDZYKDGZSA-N -1 0 571.655 5.884 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000017720075 553599322 /nfs/dbraw/zinc/59/93/22/553599322.db2.gz QJWJZTNUTYDFGW-XBBWARJSSA-N -1 0 529.524 5.499 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000070680935 553604694 /nfs/dbraw/zinc/60/46/94/553604694.db2.gz ZKLSMMQOZBNCNB-DUDHGSDHSA-N -1 0 556.744 5.014 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C\c6ccccc6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070697398 553612776 /nfs/dbraw/zinc/61/27/76/553612776.db2.gz QWQHLLFAUQXEKW-DWJIVRDDSA-N -1 0 572.830 9.000 50 30 biogenic KKEARM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697446 553612849 /nfs/dbraw/zinc/61/28/49/553612849.db2.gz MGUKBGMXAHYHQC-YYEHZPOSSA-N -1 0 546.708 5.061 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000070697742 553613368 /nfs/dbraw/zinc/61/33/68/553613368.db2.gz IABIDMZHVGWLMT-CWBSOKRESA-N -1 0 527.702 5.218 50 30 biogenic KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](Oc5ccccc5C(=O)[O-])CC[C@@]34C)[C@@H]2C1 ZINC000070698742 553614939 /nfs/dbraw/zinc/61/49/39/553614939.db2.gz LNZWDWPFTHLSHQ-YVUWDKTBSA-N -1 0 604.828 8.286 50 30 biogenic KKEARM COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019848109 553623310 /nfs/dbraw/zinc/62/33/10/553623310.db2.gz CXADKESHBNYKDP-IZHWHUGBSA-N -1 0 524.595 5.218 50 30 KKEARM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1OC ZINC000085875006 553688383 /nfs/dbraw/zinc/68/83/83/553688383.db2.gz GGDUBAWAUCRSTC-HXUWFJFHSA-N -1 0 514.530 5.579 50 30 biogenic KKEARM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)cc5)c4=O)c32)cc1OC ZINC000085874999 553688555 /nfs/dbraw/zinc/68/85/55/553688555.db2.gz GGDUBAWAUCRSTC-FQEVSTJZSA-N -1 0 514.530 5.579 50 30 biogenic KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000096022748 553722658 /nfs/dbraw/zinc/72/26/58/553722658.db2.gz DPKHRARJWCWJAW-UHFFFAOYSA-N -1 0 549.653 6.822 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000097466934 553758927 /nfs/dbraw/zinc/75/89/27/553758927.db2.gz YPKXLXGRHQQBIJ-JQXREPSRSA-N -1 0 504.992 5.081 50 30 KKEARM COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000097939707 553760480 /nfs/dbraw/zinc/76/04/80/553760480.db2.gz NWZXCVXQIKRQCP-DNOBIOAJSA-N -1 0 576.627 5.484 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939729 553760742 /nfs/dbraw/zinc/76/07/42/553760742.db2.gz SAIQJGHRUITONW-VKGTZQKMSA-N -1 0 590.654 5.874 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939732 553760825 /nfs/dbraw/zinc/76/08/25/553760825.db2.gz SAIQJGHRUITONW-WHLCRQNOSA-N -1 0 590.654 5.874 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939995 553763041 /nfs/dbraw/zinc/76/30/41/553763041.db2.gz RRLYUKPELBVMDM-NGOKVRLYSA-N -1 0 574.655 5.908 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939996 553763060 /nfs/dbraw/zinc/76/30/60/553763060.db2.gz RRLYUKPELBVMDM-PIIWDFAUSA-N -1 0 574.655 5.908 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000097940262 553764084 /nfs/dbraw/zinc/76/40/84/553764084.db2.gz DMCGFEMSHKFEBM-WMMMYUQOSA-N -1 0 544.980 5.793 50 30 KKEARM CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097950747 553805527 /nfs/dbraw/zinc/80/55/27/553805527.db2.gz STAJPGBUDWBVDT-HSZRJFAPSA-N -1 0 567.023 7.575 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000097951495 553809384 /nfs/dbraw/zinc/80/93/84/553809384.db2.gz HDNDIWJYHUFFHP-JOCHJYFZSA-N -1 0 528.439 5.414 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000097951779 553811523 /nfs/dbraw/zinc/81/15/23/553811523.db2.gz FKBIRFWHBOCPGF-JOCHJYFZSA-N -1 0 537.410 6.598 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000097952449 553816058 /nfs/dbraw/zinc/81/60/58/553816058.db2.gz LVLSOAWKMCFLMV-DEOSSOPVSA-N -1 0 542.573 5.425 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952981 553818412 /nfs/dbraw/zinc/81/84/12/553818412.db2.gz LWUCLIHCDPXJLS-HSZRJFAPSA-N -1 0 529.530 5.067 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000097954008 553820578 /nfs/dbraw/zinc/82/05/78/553820578.db2.gz SFEXJRAVXNOJHU-DEOSSOPVSA-N -1 0 532.549 5.388 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097955046 553828047 /nfs/dbraw/zinc/82/80/47/553828047.db2.gz IEGORPQARUCHAZ-PMERELPUSA-N -1 0 668.724 6.326 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955143 553829095 /nfs/dbraw/zinc/82/90/95/553829095.db2.gz QUUDKXHWTWMLFU-LRTDBIEQSA-N -1 0 539.009 5.388 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955639 553832586 /nfs/dbraw/zinc/83/25/86/553832586.db2.gz MFISSRQSOXHHDR-ZLOXQWCVSA-N -1 0 520.969 6.195 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097955684 553832840 /nfs/dbraw/zinc/83/28/40/553832840.db2.gz YTJKMZDZFJTGFP-MHZLTWQESA-N -1 0 607.084 6.691 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097955726 553833243 /nfs/dbraw/zinc/83/32/43/553833243.db2.gz PNNHZIQHDRPYHG-NPMABZOXSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956228 553836995 /nfs/dbraw/zinc/83/69/95/553836995.db2.gz LQCARSUPQNCQIE-ZLOXQWCVSA-N -1 0 531.521 5.450 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097956803 553841728 /nfs/dbraw/zinc/84/17/28/553841728.db2.gz SVFFIBAJYFKRML-HXUWFJFHSA-N -1 0 526.998 5.382 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956854 553842580 /nfs/dbraw/zinc/84/25/80/553842580.db2.gz JZRDQESCVFJUJN-HSZRJFAPSA-N -1 0 566.632 5.135 50 30 KKEARM C#CCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000029748120 553849547 /nfs/dbraw/zinc/84/95/47/553849547.db2.gz GZDRRJMAOIAEDB-UHFFFAOYSA-N -1 0 570.480 5.240 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000097959216 553861744 /nfs/dbraw/zinc/86/17/44/553861744.db2.gz BSLKSSCLRZQTSY-UCQKPKSFSA-N -1 0 581.850 6.925 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000097959568 553864576 /nfs/dbraw/zinc/86/45/76/553864576.db2.gz WEYSNXVXOGRTFS-XTNYINNTSA-N -1 0 553.434 5.725 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000097960858 553873693 /nfs/dbraw/zinc/87/36/93/553873693.db2.gz LPDAQCPJRFPCOC-YDZHTSKRSA-N -1 0 642.369 7.199 50 30 KKEARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000097960896 553873984 /nfs/dbraw/zinc/87/39/84/553873984.db2.gz CDWHFOZWRAGMQF-ZDLGFXPLSA-N -1 0 586.884 7.168 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000097966318 553908123 /nfs/dbraw/zinc/90/81/23/553908123.db2.gz GRFHQZLLKLMKMW-QWYSZQTESA-N -1 0 627.551 8.374 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967175 553914730 /nfs/dbraw/zinc/91/47/30/553914730.db2.gz MRGHJOHWWRPMKP-XIFFEERXSA-N -1 0 672.759 8.257 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967278 553916239 /nfs/dbraw/zinc/91/62/39/553916239.db2.gz DZQMKVZQHDQYQY-CPJLOUKISA-N -1 0 589.670 6.084 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967309 553916712 /nfs/dbraw/zinc/91/67/12/553916712.db2.gz DZENTNQWFCVRFB-JIYROHSKSA-N -1 0 661.805 7.824 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967338 553917165 /nfs/dbraw/zinc/91/71/65/553917165.db2.gz QVKCLDMCJOJDRQ-NBLPZQPVSA-N -1 0 726.276 8.568 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967374 553917775 /nfs/dbraw/zinc/91/77/75/553917775.db2.gz GTHXRJOCSSNRFL-UKPGIYTDSA-N -1 0 665.768 7.655 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967523 553919846 /nfs/dbraw/zinc/91/98/46/553919846.db2.gz UPIFVRZCAYIMPN-COOREUGTSA-N -1 0 721.901 8.914 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097967573 553920214 /nfs/dbraw/zinc/92/02/14/553920214.db2.gz KYMXAYAMQGUYGC-NDEPHWFRSA-N -1 0 648.734 6.172 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967734 553922202 /nfs/dbraw/zinc/92/22/02/553922202.db2.gz DSYRIIJYHPDRLC-VTLMBFNKSA-N -1 0 760.721 9.221 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967784 553923023 /nfs/dbraw/zinc/92/30/23/553923023.db2.gz JEASGVFSLTVXFZ-BSEYFRJRSA-N -1 0 577.456 6.174 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967794 553923199 /nfs/dbraw/zinc/92/31/99/553923199.db2.gz JVOMOFAFLLPYSH-UVDDSOTQSA-N -1 0 671.841 7.904 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967808 553923558 /nfs/dbraw/zinc/92/35/58/553923558.db2.gz XMVWXBCFYBTIFF-PRAQEBQASA-N -1 0 675.804 7.653 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967879 553924419 /nfs/dbraw/zinc/92/44/19/553924419.db2.gz HOFFWJVFEFIQKB-YTTGMZPUSA-N -1 0 695.819 7.725 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967886 553924643 /nfs/dbraw/zinc/92/46/43/553924643.db2.gz BDZGZRFQZVAHME-OYLFLEFRSA-N -1 0 594.089 6.729 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967916 553924886 /nfs/dbraw/zinc/92/48/86/553924886.db2.gz STXNBRHCVVNRGX-VWLOTQADSA-N -1 0 576.627 5.172 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967913 553924943 /nfs/dbraw/zinc/92/49/43/553924943.db2.gz MJACMWCNKSALDP-AREMUKBSSA-N -1 0 654.597 7.815 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967915 553924974 /nfs/dbraw/zinc/92/49/74/553924974.db2.gz STXNBRHCVVNRGX-RUZDIDTESA-N -1 0 576.627 5.172 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967936 553925301 /nfs/dbraw/zinc/92/53/01/553925301.db2.gz AFOXEIVBKBJSFA-PUAOIOHZSA-N -1 0 589.670 6.084 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967934 553925369 /nfs/dbraw/zinc/92/53/69/553925369.db2.gz AFOXEIVBKBJSFA-CPJLOUKISA-N -1 0 589.670 6.084 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967966 553925742 /nfs/dbraw/zinc/92/57/42/553925742.db2.gz WODLKXMAWUSWBT-QHCPKHFHSA-N -1 0 596.061 6.177 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967991 553926248 /nfs/dbraw/zinc/92/62/48/553926248.db2.gz YFIHGCMNHFEBSH-MHZLTWQESA-N -1 0 585.638 5.378 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968033 553926557 /nfs/dbraw/zinc/92/65/57/553926557.db2.gz UHPYSDSZCSBSAF-HHHXNRCGSA-N -1 0 666.177 6.835 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968023 553926655 /nfs/dbraw/zinc/92/66/55/553926655.db2.gz JZMCWDYZGCHOLG-MUUNZHRXSA-N -1 0 645.759 6.572 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968112 553927920 /nfs/dbraw/zinc/92/79/20/553927920.db2.gz ZDDHKJGHTFTGIT-VWLOTQADSA-N -1 0 587.679 5.702 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968106 553927986 /nfs/dbraw/zinc/92/79/86/553927986.db2.gz AULUGEMZVSFNTB-OWJWWREXSA-N -1 0 594.089 6.729 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968108 553928026 /nfs/dbraw/zinc/92/80/26/553928026.db2.gz AULUGEMZVSFNTB-IZHWHUGBSA-N -1 0 594.089 6.729 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968173 553928612 /nfs/dbraw/zinc/92/86/12/553928612.db2.gz ROFNPUQUWZLHPA-PMERELPUSA-N -1 0 684.195 7.617 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097968191 553928743 /nfs/dbraw/zinc/92/87/43/553928743.db2.gz GBXTXCSLZRAKCL-YTTGMZPUSA-N -1 0 711.793 7.501 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968194 553929210 /nfs/dbraw/zinc/92/92/10/553929210.db2.gz VRPMESVZMZDYCU-MUUNZHRXSA-N -1 0 698.650 8.116 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968243 553929558 /nfs/dbraw/zinc/92/95/58/553929558.db2.gz SMPVWOZICPOMDL-SANMLTNESA-N -1 0 617.680 6.088 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968323 553930325 /nfs/dbraw/zinc/93/03/25/553930325.db2.gz STUACRWXCGLULW-WHLCRQNOSA-N -1 0 634.751 6.702 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968360 553931380 /nfs/dbraw/zinc/93/13/80/553931380.db2.gz ADZCMIUICHMHCQ-NDEPHWFRSA-N -1 0 629.760 6.872 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968356 553931435 /nfs/dbraw/zinc/93/14/35/553931435.db2.gz CXBQUBBSCRVODO-SANMLTNESA-N -1 0 620.152 7.161 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968394 553931978 /nfs/dbraw/zinc/93/19/78/553931978.db2.gz ZFDHVNXXVPOGMI-XDBZFTIUSA-N -1 0 609.704 7.229 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968436 553932354 /nfs/dbraw/zinc/93/23/54/553932354.db2.gz CHDCRFVMAUAFHG-MUUNZHRXSA-N -1 0 663.749 6.711 50 30 KKEARM CCCCCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000033355053 553932917 /nfs/dbraw/zinc/93/29/17/553932917.db2.gz GRLVPGZGJRDFTA-UHFFFAOYSA-N -1 0 633.839 8.912 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969174 553937525 /nfs/dbraw/zinc/93/75/25/553937525.db2.gz SKRMMPJOKWQXRQ-JCQPUDPBSA-N -1 0 581.875 6.819 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969272 553938692 /nfs/dbraw/zinc/93/86/92/553938692.db2.gz QWXFTZGHMPHVBT-AFJIDDCJSA-N -1 0 662.233 8.159 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097969269 553938846 /nfs/dbraw/zinc/93/88/46/553938846.db2.gz DHZHZEHZXHOIBO-MHZLTWQESA-N -1 0 598.652 6.604 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969340 553939760 /nfs/dbraw/zinc/93/97/60/553939760.db2.gz RVFBZUUSSBOFIF-ODCWNRFASA-N -1 0 591.483 6.564 50 30 KKEARM COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@@H](C)C5)c3n2)cc1OC ZINC000033356518 553942082 /nfs/dbraw/zinc/94/20/82/553942082.db2.gz FXOOZPMWRLJYRQ-CYBMUJFWSA-N -1 0 541.555 5.743 50 30 KKEARM COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)c3n2)cc1OC ZINC000033356516 553942098 /nfs/dbraw/zinc/94/20/98/553942098.db2.gz FXOOZPMWRLJYRQ-ZDUSSCGKSA-N -1 0 541.555 5.743 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969553 553942171 /nfs/dbraw/zinc/94/21/71/553942171.db2.gz WKSKMCOHIDHKRF-QHCPKHFHSA-N -1 0 566.632 5.135 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097969577 553942495 /nfs/dbraw/zinc/94/24/95/553942495.db2.gz VSJXUWWXBUDXBC-VOIUYBSRSA-N -1 0 559.644 6.076 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969571 553942532 /nfs/dbraw/zinc/94/25/32/553942532.db2.gz IBAIQAWMZWEAJZ-CGDLVVIGSA-N -1 0 697.838 8.669 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000097969718 553944192 /nfs/dbraw/zinc/94/41/92/553944192.db2.gz NHBWAXIXIVDWAL-RUZDIDTESA-N -1 0 590.654 5.527 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969777 553944733 /nfs/dbraw/zinc/94/47/33/553944733.db2.gz DTZRQOHKMWMERM-QLXKLKPCSA-N -1 0 603.697 6.475 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969779 553944888 /nfs/dbraw/zinc/94/48/88/553944888.db2.gz DTZRQOHKMWMERM-QUGAMOGWSA-N -1 0 603.697 6.475 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097969804 553944983 /nfs/dbraw/zinc/94/49/83/553944983.db2.gz UCCKLFPPYMMVCR-RUZDIDTESA-N -1 0 572.614 6.048 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969823 553945484 /nfs/dbraw/zinc/94/54/84/553945484.db2.gz OWHLHBIBEKTIQW-MRDQGFSESA-N -1 0 620.152 6.989 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969867 553945812 /nfs/dbraw/zinc/94/58/12/553945812.db2.gz AAQJLPQMKWAFSB-QHCPKHFHSA-N -1 0 565.445 6.167 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969875 553946310 /nfs/dbraw/zinc/94/63/10/553946310.db2.gz KXDXKEJYRGLENW-QLXKLKPCSA-N -1 0 606.697 5.922 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969876 553946473 /nfs/dbraw/zinc/94/64/73/553946473.db2.gz KXDXKEJYRGLENW-WGDIFIGCSA-N -1 0 606.697 5.922 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969957 553947355 /nfs/dbraw/zinc/94/73/55/553947355.db2.gz MVASUSTXHAGVKS-AFJIDDCJSA-N -1 0 643.787 7.124 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970058 553949051 /nfs/dbraw/zinc/94/90/51/553949051.db2.gz NNCXIDOEKGINQL-HFJWLAOPSA-N -1 0 613.717 6.032 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970097 553949659 /nfs/dbraw/zinc/94/96/59/553949659.db2.gz RHAHLGYFQJIMPY-PBUKZNKTSA-N -1 0 705.858 8.223 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970147 553949882 /nfs/dbraw/zinc/94/98/82/553949882.db2.gz HAFMANOOEOBYDS-CPJLOUKISA-N -1 0 592.670 5.532 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970145 553950144 /nfs/dbraw/zinc/95/01/44/553950144.db2.gz HAFMANOOEOBYDS-LMKMVOKYSA-N -1 0 592.670 5.532 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970167 553950488 /nfs/dbraw/zinc/95/04/88/553950488.db2.gz YISZKSHSNAKION-XBBWARJSSA-N -1 0 661.777 7.263 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970203 553950890 /nfs/dbraw/zinc/95/08/90/553950890.db2.gz BEQZGUPZGZIKEH-NBLPZQPVSA-N -1 0 709.821 8.054 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970227 553951258 /nfs/dbraw/zinc/95/12/58/553951258.db2.gz KUJPFCDOETZZLO-LGGPFLRQSA-N -1 0 627.788 7.362 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970244 553951673 /nfs/dbraw/zinc/95/16/73/553951673.db2.gz QJODPTZUVUUFST-JCOAXYOVSA-N -1 0 649.794 7.879 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097970243 553951735 /nfs/dbraw/zinc/95/17/35/553951735.db2.gz SRSOCJZMIDHXPZ-DEOSSOPVSA-N -1 0 593.455 6.012 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097970242 553951756 /nfs/dbraw/zinc/95/17/56/553951756.db2.gz SRSOCJZMIDHXPZ-XMMPIXPASA-N -1 0 593.455 6.012 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970297 553952025 /nfs/dbraw/zinc/95/20/25/553952025.db2.gz CYHPWIIOKUJGLE-PVAZPRTOSA-N -1 0 691.831 7.914 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970295 553952053 /nfs/dbraw/zinc/95/20/53/553952053.db2.gz CYHPWIIOKUJGLE-FLASPHMUSA-N -1 0 691.831 7.914 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970293 553952116 /nfs/dbraw/zinc/95/21/16/553952116.db2.gz CBWHGNCIVAOMEX-PRAQEBQASA-N -1 0 654.741 6.712 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970345 553952822 /nfs/dbraw/zinc/95/28/22/553952822.db2.gz OSIXMIRGXPJXFD-XRHLQHRESA-N -1 0 634.179 7.379 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970364 553952975 /nfs/dbraw/zinc/95/29/75/553952975.db2.gz YBMLNDVEDOUVEM-DNOBIOAJSA-N -1 0 615.708 6.641 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970408 553953690 /nfs/dbraw/zinc/95/36/90/553953690.db2.gz KZIHFEIHDFKNLJ-IIMAJNMQSA-N -1 0 657.814 7.514 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970455 553954139 /nfs/dbraw/zinc/95/41/39/553954139.db2.gz ZBRAWKBUSFEZJG-KCEHZKJRSA-N -1 0 663.821 8.269 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000033358348 553954795 /nfs/dbraw/zinc/95/47/95/553954795.db2.gz HNFXYVMHUFZJFP-TTWZNGTNSA-N -1 0 571.533 5.293 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970503 553954991 /nfs/dbraw/zinc/95/49/91/553954991.db2.gz WICDEVOXFPZIPD-LMKMVOKYSA-N -1 0 634.135 6.377 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970542 553955561 /nfs/dbraw/zinc/95/55/61/553955561.db2.gz NEXGSQATWVFRKW-OLILMLBXSA-N -1 0 643.787 7.043 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(I)cc4)c3=O)n2)cc1 ZINC000097997102 554039469 /nfs/dbraw/zinc/03/94/69/554039469.db2.gz SZTBIROZXISOAZ-BYNJWEBRSA-N -1 0 579.423 5.642 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4Cl)c3=O)n2)cc1 ZINC000097997148 554040253 /nfs/dbraw/zinc/04/02/53/554040253.db2.gz CQAVBFUJJQGNTM-FAJYDZGRSA-N -1 0 532.969 5.599 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Br)c1 ZINC000097997713 554040299 /nfs/dbraw/zinc/04/02/99/554040299.db2.gz PBKQLVSKNRJXCD-ULJHMMPZSA-N -1 0 519.222 5.526 50 30 KKEARM O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1[O-])C1=C(CCCC1=O)N2c1cccc(Br)c1 ZINC000035352880 554043847 /nfs/dbraw/zinc/04/38/47/554043847.db2.gz OXHPAFNHWPSMDH-UHFFFAOYSA-N -1 0 509.356 5.681 50 30 KKEARM CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999858 554046493 /nfs/dbraw/zinc/04/64/93/554046493.db2.gz PVDPLAQFKGFUOT-FEJAXNNGSA-N -1 0 665.186 8.392 50 30 KKEARM CCOc1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(OCC)c(OCC)cc3C#N)ccc2OC)cc1OCC ZINC000098005908 554059655 /nfs/dbraw/zinc/05/96/55/554059655.db2.gz DELVCDFUSRACBL-UHFFFAOYSA-N -1 0 608.673 5.086 50 30 KKEARM Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000098007297 554063262 /nfs/dbraw/zinc/06/32/62/554063262.db2.gz NPESRZFXLLBXHU-HNNXBMFYSA-N -1 0 516.269 6.582 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098045754 554133481 /nfs/dbraw/zinc/13/34/81/554133481.db2.gz PYHXBXJDNGJBOX-PEBXRYMYSA-N -1 0 534.565 5.040 50 30 KKEARM CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000098046026 554135183 /nfs/dbraw/zinc/13/51/83/554135183.db2.gz XCWQBYPGBWDIQW-OZZMDNJMSA-N -1 0 598.696 6.647 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098046330 554137908 /nfs/dbraw/zinc/13/79/08/554137908.db2.gz CMVJBPCETGTBFN-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098046329 554138019 /nfs/dbraw/zinc/13/80/19/554138019.db2.gz SUZQTMMMZVIVMU-QFIPXVFZSA-N -1 0 536.581 5.423 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046450 554138917 /nfs/dbraw/zinc/13/89/17/554138917.db2.gz YPGXVEDZKGBQSS-HHHXNRCGSA-N -1 0 652.194 7.463 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098046427 554138931 /nfs/dbraw/zinc/13/89/31/554138931.db2.gz VQZFPVPHVPKXRV-VWLOTQADSA-N -1 0 654.583 7.694 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046471 554139292 /nfs/dbraw/zinc/13/92/92/554139292.db2.gz MILBGRCOJNHZMF-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046473 554139330 /nfs/dbraw/zinc/13/93/30/554139330.db2.gz DGSGJVJWOITAGE-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046479 554139487 /nfs/dbraw/zinc/13/94/87/554139487.db2.gz LETZFHMPSWVESY-VWLOTQADSA-N -1 0 671.038 8.208 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046503 554139713 /nfs/dbraw/zinc/13/97/13/554139713.db2.gz RDTJIOIAHWASKN-QHCPKHFHSA-N -1 0 626.087 6.201 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046497 554139747 /nfs/dbraw/zinc/13/97/47/554139747.db2.gz LGRCGNCESCMUBJ-PMERELPUSA-N -1 0 687.746 7.488 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046513 554139904 /nfs/dbraw/zinc/13/99/04/554139904.db2.gz UBERUCBECIRDFP-UMSFTDKQSA-N -1 0 719.816 8.502 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046531 554140227 /nfs/dbraw/zinc/14/02/27/554140227.db2.gz MZXSUSFPRGBNBG-AREMUKBSSA-N -1 0 602.137 8.136 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046530 554140387 /nfs/dbraw/zinc/14/03/87/554140387.db2.gz CAYMKLVWFMEVCS-SANMLTNESA-N -1 0 616.120 7.578 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)o1 ZINC000098046545 554140590 /nfs/dbraw/zinc/14/05/90/554140590.db2.gz VIQFMLCLVMIXTG-JOCHJYFZSA-N -1 0 547.589 6.400 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046544 554140690 /nfs/dbraw/zinc/14/06/90/554140690.db2.gz YQSWMJVEXHMOSJ-LJAQVGFWSA-N -1 0 659.761 8.076 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098046607 554141622 /nfs/dbraw/zinc/14/16/22/554141622.db2.gz LDIRBSHYRDEFTB-HKBQPEDESA-N -1 0 665.793 7.717 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046659 554141976 /nfs/dbraw/zinc/14/19/76/554141976.db2.gz BKZJNMFXCPNIIW-OAQYLSRUSA-N -1 0 551.577 5.108 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C ZINC000098046689 554142338 /nfs/dbraw/zinc/14/23/38/554142338.db2.gz RCOGPTVTOVZDRR-HSZRJFAPSA-N -1 0 560.653 5.970 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046685 554142479 /nfs/dbraw/zinc/14/24/79/554142479.db2.gz WWNGGSCPPQLHRM-XMMPIXPASA-N -1 0 561.457 6.576 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046851 554144474 /nfs/dbraw/zinc/14/44/74/554144474.db2.gz OLPWMGBUFYDSNA-QFIPXVFZSA-N -1 0 568.051 6.414 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098047114 554146672 /nfs/dbraw/zinc/14/66/72/554146672.db2.gz CJBXLGJUVNFBIR-QHCPKHFHSA-N -1 0 640.493 5.738 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047265 554148398 /nfs/dbraw/zinc/14/83/98/554148398.db2.gz XMFGJGIGZDTHCX-MUUNZHRXSA-N -1 0 643.718 7.019 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047258 554148507 /nfs/dbraw/zinc/14/85/07/554148507.db2.gz GJEWFBCFACPSOQ-LJAQVGFWSA-N -1 0 657.745 7.322 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047304 554149166 /nfs/dbraw/zinc/14/91/66/554149166.db2.gz XAUWZAGFBMSTPL-NDEPHWFRSA-N -1 0 641.727 6.498 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047351 554149524 /nfs/dbraw/zinc/14/95/24/554149524.db2.gz UDQJCYCNAVAISA-MHZLTWQESA-N -1 0 636.195 7.844 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047385 554150039 /nfs/dbraw/zinc/15/00/39/554150039.db2.gz XNGYQYNJDFGEEB-QHCPKHFHSA-N -1 0 537.638 5.641 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047383 554150159 /nfs/dbraw/zinc/15/01/59/554150159.db2.gz JUYURUQXLLORPE-SANMLTNESA-N -1 0 587.723 6.801 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047399 554150334 /nfs/dbraw/zinc/15/03/34/554150334.db2.gz HMQYIVFYDHCTCZ-QHCPKHFHSA-N -1 0 644.533 7.154 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)c(F)c4)[C@H]3c3cccc(Oc4ccccc4)c3)s2)cc1 ZINC000098047396 554150347 /nfs/dbraw/zinc/15/03/47/554150347.db2.gz SYMIRQCZWJODRL-GDLZYMKVSA-N -1 0 623.731 8.162 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000098047408 554150514 /nfs/dbraw/zinc/15/05/14/554150514.db2.gz HAWOPXIWATYVCJ-GDLZYMKVSA-N -1 0 634.795 7.795 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098047440 554150956 /nfs/dbraw/zinc/15/09/56/554150956.db2.gz OBTMVPDFRIXTLA-JOCHJYFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047434 554150989 /nfs/dbraw/zinc/15/09/89/554150989.db2.gz HSEDCKQSNYZDQV-HHHXNRCGSA-N -1 0 606.741 7.015 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098047479 554151485 /nfs/dbraw/zinc/15/14/85/554151485.db2.gz MNRSOSLQGVAGQK-DEOSSOPVSA-N -1 0 590.654 5.543 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047531 554152301 /nfs/dbraw/zinc/15/23/01/554152301.db2.gz OJPYWIPEXOFVHF-PMERELPUSA-N -1 0 664.821 7.660 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098047512 554152338 /nfs/dbraw/zinc/15/23/38/554152338.db2.gz ZPNFMSSIUYOSHU-YTTGMZPUSA-N -1 0 722.329 9.413 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000098047543 554152682 /nfs/dbraw/zinc/15/26/82/554152682.db2.gz AQLDCGUHBRATAE-SSEXGKCCSA-N -1 0 662.805 7.724 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047599 554153023 /nfs/dbraw/zinc/15/30/23/554153023.db2.gz VXAZJMSZEPHZIU-AREMUKBSSA-N -1 0 589.714 7.240 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000098047573 554153051 /nfs/dbraw/zinc/15/30/51/554153051.db2.gz SCKZASBDWDHFBZ-JGCGQSQUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047586 554153094 /nfs/dbraw/zinc/15/30/94/554153094.db2.gz ZHGHUAJGSKIUHN-HKBQPEDESA-N -1 0 708.302 8.879 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047600 554153373 /nfs/dbraw/zinc/15/33/73/554153373.db2.gz VXAZJMSZEPHZIU-SANMLTNESA-N -1 0 589.714 7.240 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047629 554153538 /nfs/dbraw/zinc/15/35/38/554153538.db2.gz DREFRSCOSXTRFW-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047607 554153654 /nfs/dbraw/zinc/15/36/54/554153654.db2.gz VHLMYHHSQSQALX-SSEXGKCCSA-N -1 0 657.814 7.674 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000098047615 554153684 /nfs/dbraw/zinc/15/36/84/554153684.db2.gz YVIVCGZVCFXDEV-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)o2)cc1F ZINC000098047718 554154808 /nfs/dbraw/zinc/15/48/08/554154808.db2.gz PXGHBJUDCRVUJI-VWLOTQADSA-N -1 0 587.654 6.816 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047705 554154997 /nfs/dbraw/zinc/15/49/97/554154997.db2.gz JQHJBZHTIVELQH-GDLZYMKVSA-N -1 0 625.747 8.038 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047739 554155365 /nfs/dbraw/zinc/15/53/65/554155365.db2.gz KSNLTBZYVNLWNU-GDLZYMKVSA-N -1 0 641.746 7.621 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047750 554155465 /nfs/dbraw/zinc/15/54/65/554155465.db2.gz GSPSTEKGDGUNIO-MHZLTWQESA-N -1 0 597.693 7.223 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047785 554155723 /nfs/dbraw/zinc/15/57/23/554155723.db2.gz BAULOLQFZLULCL-GDLZYMKVSA-N -1 0 639.755 7.182 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047775 554155739 /nfs/dbraw/zinc/15/57/39/554155739.db2.gz QKAVHUGJQHPMSD-GDLZYMKVSA-N -1 0 623.731 7.779 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047814 554156428 /nfs/dbraw/zinc/15/64/28/554156428.db2.gz ZVHASPGPYQWUHF-NDEPHWFRSA-N -1 0 625.728 6.792 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047834 554156747 /nfs/dbraw/zinc/15/67/47/554156747.db2.gz BGWSNXTXSKBUSJ-NDEPHWFRSA-N -1 0 678.594 9.160 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000098047904 554157372 /nfs/dbraw/zinc/15/73/72/554157372.db2.gz XJQSANLZXQUXJS-SANMLTNESA-N -1 0 602.112 7.867 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047916 554157602 /nfs/dbraw/zinc/15/76/02/554157602.db2.gz FJPYVJJYGLDPQW-NDEPHWFRSA-N -1 0 627.719 7.231 50 30 KKEARM CO[C@@H]1CC([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047979 554158022 /nfs/dbraw/zinc/15/80/22/554158022.db2.gz SNHNMELEUNXBRP-YLJYHZDGSA-N -1 0 539.660 5.089 50 30 KKEARM COc1ccc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OCCC(C)C)c3)nc2c1 ZINC000098047996 554158383 /nfs/dbraw/zinc/15/83/83/554158383.db2.gz GKEGCXVKOPRTQW-DEOSSOPVSA-N -1 0 534.659 6.574 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(I)cc4)c3=O)n2)cc1 ZINC000100006033 554178305 /nfs/dbraw/zinc/17/83/05/554178305.db2.gz SZTBIROZXISOAZ-FAJYDZGRSA-N -1 0 579.423 5.642 50 30 KKEARM O=C(C=CNc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000100055090 554195885 /nfs/dbraw/zinc/19/58/85/554195885.db2.gz LPUIOETWUZRZRA-YPKPFQOOSA-N -1 0 509.385 5.002 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000036180234 554200384 /nfs/dbraw/zinc/20/03/84/554200384.db2.gz CLNQPWHYWNUSIN-GZFRWTSMSA-N -1 0 505.552 5.512 50 30 KKEARM CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3cc(Cc4ccccc4Cl)cc([N+](=O)[O-])c3[O-])c2)cc1 ZINC000100073710 554203146 /nfs/dbraw/zinc/20/31/46/554203146.db2.gz REQJJKFXOHXWBN-HNSNBQBZSA-N -1 0 542.035 7.845 50 30 KKEARM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000100233493 554257846 /nfs/dbraw/zinc/25/78/46/554257846.db2.gz WQLRKOBPAFFREH-QLFQYMLZSA-N -1 0 540.233 5.328 50 30 KKEARM CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000100236226 554258333 /nfs/dbraw/zinc/25/83/33/554258333.db2.gz IKXFYHFSGBCBOC-YPRVEJFFSA-N -1 0 536.451 6.018 50 30 KKEARM CCOC(=O)COc1c(Cl)cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Cl ZINC000100236266 554258362 /nfs/dbraw/zinc/25/83/62/554258362.db2.gz QZXPCMHKNGIKOC-GOVOZOGTSA-N -1 0 585.465 6.438 50 30 KKEARM N#Cc1c(=O)[n-]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000100249579 554262016 /nfs/dbraw/zinc/26/20/16/554262016.db2.gz HXBGROAHTBANCR-UHFFFAOYSA-N -1 0 550.462 7.910 50 30 KKEARM C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000100270777 554269348 /nfs/dbraw/zinc/26/93/48/554269348.db2.gz HLIFJTJBTGVJDA-KQWNVCNZSA-N -1 0 607.457 5.319 50 30 KKEARM COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)S/C1=N\c1ccccc1 ZINC000100275284 554271639 /nfs/dbraw/zinc/27/16/39/554271639.db2.gz VAMIKXKGEJPUIE-ZQUZUHTASA-N -1 0 614.461 5.819 50 30 KKEARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1c2c(cc([N+](=O)[O-])c1[O-])oc1c2CCCC1 ZINC000038178064 554274007 /nfs/dbraw/zinc/27/40/07/554274007.db2.gz HERYFMYVFXONNG-XODNFHPESA-N -1 0 504.564 6.890 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000100312376 554301287 /nfs/dbraw/zinc/30/12/87/554301287.db2.gz CWKWWGOKSLASHN-UHFFFAOYSA-N -1 0 582.524 7.343 50 30 KKEARM [O-]c1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br ZINC000049803244 554326179 /nfs/dbraw/zinc/32/61/79/554326179.db2.gz QCDFQKAUBBJLHU-DHRITJCHSA-N -1 0 555.234 6.035 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053290478 554331141 /nfs/dbraw/zinc/33/11/41/554331141.db2.gz FDVZPINBCPTXSE-NRFANRHFSA-N -1 0 521.392 5.850 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053292288 554332226 /nfs/dbraw/zinc/33/22/26/554332226.db2.gz JOFGGFIZXJNGRG-DEOSSOPVSA-N -1 0 535.021 6.530 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053307275 554335122 /nfs/dbraw/zinc/33/51/22/554335122.db2.gz QOGBBBLDPOVOHI-FQEVSTJZSA-N -1 0 571.449 5.491 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053307655 554335144 /nfs/dbraw/zinc/33/51/44/554335144.db2.gz GLAKJDHFEJCFEJ-QFIPXVFZSA-N -1 0 525.413 6.785 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053307350 554335177 /nfs/dbraw/zinc/33/51/77/554335177.db2.gz MUYPMJYNIYKQHK-JOCHJYFZSA-N -1 0 569.864 6.894 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053307435 554335198 /nfs/dbraw/zinc/33/51/98/554335198.db2.gz GSSSLPAJOUZHEC-XMMPIXPASA-N -1 0 551.020 6.149 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307222 554335219 /nfs/dbraw/zinc/33/52/19/554335219.db2.gz UTRQWVNLSCHDMU-FQEVSTJZSA-N -1 0 561.443 6.035 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000053307668 554335399 /nfs/dbraw/zinc/33/53/99/554335399.db2.gz YYSYCORRHYWJPR-JOCHJYFZSA-N -1 0 541.398 5.535 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319190 554336692 /nfs/dbraw/zinc/33/66/92/554336692.db2.gz ORZVNHLWWSGQBV-QHCPKHFHSA-N -1 0 567.019 5.767 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319224 554336977 /nfs/dbraw/zinc/33/69/77/554336977.db2.gz QVQNVIBWAAIUFD-NRFANRHFSA-N -1 0 523.383 6.289 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319279 554337173 /nfs/dbraw/zinc/33/71/73/554337173.db2.gz ZHJBYYWQNTUAPA-LJQANCHMSA-N -1 0 527.421 5.912 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000053319313 554337318 /nfs/dbraw/zinc/33/73/18/554337318.db2.gz WENUAHDVPLDGDW-HXUWFJFHSA-N -1 0 551.231 5.435 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000053319511 554338693 /nfs/dbraw/zinc/33/86/93/554338693.db2.gz RXNVSTXCMGPQIQ-FQEVSTJZSA-N -1 0 525.811 6.495 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000053333055 554339469 /nfs/dbraw/zinc/33/94/69/554339469.db2.gz CQVJWPJZRJXPRD-JCQPUDPBSA-N -1 0 531.521 5.450 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000053333519 554339525 /nfs/dbraw/zinc/33/95/25/554339525.db2.gz DJXHQYVHANNUIN-OWJWWREXSA-N -1 0 594.089 6.729 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000053333125 554339512 /nfs/dbraw/zinc/33/95/12/554339512.db2.gz SKRMMPJOKWQXRQ-ZLOXQWCVSA-N -1 0 581.875 6.819 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053335294 554340727 /nfs/dbraw/zinc/34/07/27/554340727.db2.gz LZQZQHHAMVRXQN-HSZRJFAPSA-N -1 0 529.530 5.067 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053335462 554341083 /nfs/dbraw/zinc/34/10/83/554341083.db2.gz OKVZXFYPVNGTDX-QFIPXVFZSA-N -1 0 549.948 5.412 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000053336176 554341411 /nfs/dbraw/zinc/34/14/11/554341411.db2.gz LNQZNUDMBPKCKD-XMMPIXPASA-N -1 0 567.450 6.774 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053339250 554343200 /nfs/dbraw/zinc/34/32/00/554343200.db2.gz GIKRHMXIUYKMKJ-MHZLTWQESA-N -1 0 591.085 7.073 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053340276 554344201 /nfs/dbraw/zinc/34/42/01/554344201.db2.gz MIDOXYGFHLEFGM-QFIPXVFZSA-N -1 0 539.396 6.157 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053340586 554344337 /nfs/dbraw/zinc/34/43/37/554344337.db2.gz KUFJBIDMYSJUHU-HSZRJFAPSA-N -1 0 531.546 5.395 50 30 KKEARM COc1cc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc(Br)c1OCc1ccccc1 ZINC000100383866 554364358 /nfs/dbraw/zinc/36/43/58/554364358.db2.gz QWPGZBYBKODMFH-OKCVXOCRSA-N -1 0 529.390 7.301 50 30 KKEARM COC(=O)Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000058993267 554371556 /nfs/dbraw/zinc/37/15/56/554371556.db2.gz QODHFZIUIDDOLL-LAFZTMSTSA-N -1 0 525.586 5.317 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000100439716 554393407 /nfs/dbraw/zinc/39/34/07/554393407.db2.gz KRLFDPVMZRCLBS-YDJIHCHBSA-N -1 0 531.175 5.977 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C(F)(F)F ZINC000100527790 554410184 /nfs/dbraw/zinc/41/01/84/554410184.db2.gz SDIJICQGCRNIQF-WPWMEQJKSA-N -1 0 508.323 5.782 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4cc(Cc5ccccc5Cl)cc(Br)c4O)ccc3[O-])nc2c1 ZINC000100539830 554412801 /nfs/dbraw/zinc/41/28/01/554412801.db2.gz IVUTZXKXTSUOFI-IBBHUPRXSA-N -1 0 547.836 7.972 50 30 KKEARM Cc1cc(N=NC(C)c2cccc([N+](=O)[O-])c2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000059640887 554416546 /nfs/dbraw/zinc/41/65/46/554416546.db2.gz JYXVUQARGKGDNQ-BHGWPJFGSA-N -1 0 521.169 5.427 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059835550 554437269 /nfs/dbraw/zinc/43/72/69/554437269.db2.gz WDINUCGUCYAZPN-UULLZXFKSA-N -1 0 531.565 5.696 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=[NH+]n2c3ccc(S(=O)(=O)[O-])cc3nc2[C@@H]1S(=O)(=O)[O-] ZINC000100664378 554439707 /nfs/dbraw/zinc/43/97/07/554439707.db2.gz ODSWOIJCXMWVDD-RUZDIDTESA-N -1 0 555.763 6.691 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2F)cc1 ZINC000100674865 554443251 /nfs/dbraw/zinc/44/32/51/554443251.db2.gz MOIUDXVUGIWLIV-DEOSSOPVSA-N -1 0 566.651 6.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100675306 554443654 /nfs/dbraw/zinc/44/36/54/554443654.db2.gz FKESLAUHPHKFAJ-VWLOTQADSA-N -1 0 578.687 6.235 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000100677206 554444259 /nfs/dbraw/zinc/44/42/59/554444259.db2.gz MMHQBFWGURWTBX-LJQANCHMSA-N -1 0 559.413 5.621 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677685 554444711 /nfs/dbraw/zinc/44/47/11/554444711.db2.gz UAFZEYCMIXSGRI-HSZRJFAPSA-N -1 0 552.624 6.038 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100679709 554445671 /nfs/dbraw/zinc/44/56/71/554445671.db2.gz NGELUPZQTKTZKM-JOCHJYFZSA-N -1 0 555.052 6.243 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100679912 554445689 /nfs/dbraw/zinc/44/56/89/554445689.db2.gz XBGZXHBSSUTPJL-RUZDIDTESA-N -1 0 594.686 5.997 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000100679953 554446019 /nfs/dbraw/zinc/44/60/19/554446019.db2.gz BRUPHSIGBGSIMR-HSZRJFAPSA-N -1 0 548.617 5.462 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100680341 554446280 /nfs/dbraw/zinc/44/62/80/554446280.db2.gz LINODXZUMKVKKP-HSZRJFAPSA-N -1 0 601.508 7.063 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000100680328 554446385 /nfs/dbraw/zinc/44/63/85/554446385.db2.gz TZECJJGUMJKJPK-VWLOTQADSA-N -1 0 576.671 6.155 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OC)c2)nc1C ZINC000100680272 554446406 /nfs/dbraw/zinc/44/64/06/554446406.db2.gz HPHDYTUGASZSDQ-NDEPHWFRSA-N -1 0 634.751 6.944 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100680334 554446507 /nfs/dbraw/zinc/44/65/07/554446507.db2.gz YVHQXGPNUXSLDG-AREMUKBSSA-N -1 0 606.697 6.163 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100680702 554446720 /nfs/dbraw/zinc/44/67/20/554446720.db2.gz XOTKHTWPLMAYDV-NRFANRHFSA-N -1 0 541.025 5.853 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccnc2)nc1C ZINC000100680413 554446835 /nfs/dbraw/zinc/44/68/35/554446835.db2.gz HFYHAWNUDVCLJX-QFIPXVFZSA-N -1 0 533.606 5.151 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100681080 554447176 /nfs/dbraw/zinc/44/71/76/554447176.db2.gz QRWWLVXVVJSXHA-NRFANRHFSA-N -1 0 541.025 5.853 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100681056 554447193 /nfs/dbraw/zinc/44/71/93/554447193.db2.gz FSMFLUVKEULLDW-OAQYLSRUSA-N -1 0 585.476 5.962 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100681077 554447214 /nfs/dbraw/zinc/44/72/14/554447214.db2.gz CNXJNVFZKQZUSS-NDEPHWFRSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCCCCCCCCCCCCCCCNC(=O)c1cc(Br)c2ccccc2c1[O-] ZINC000100725393 554456658 /nfs/dbraw/zinc/45/66/58/554456658.db2.gz MREJAXPGNOJWDP-UHFFFAOYSA-N -1 0 518.580 9.299 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736813 554461223 /nfs/dbraw/zinc/46/12/23/554461223.db2.gz ONXRNDKJBBSVJI-QFIPXVFZSA-N -1 0 555.052 6.162 50 30 KKEARM C=CCN1C(=O)/C(=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c2cc(Br)ccc21 ZINC000100836480 554483793 /nfs/dbraw/zinc/48/37/93/554483793.db2.gz TWXGOZBLTPWWMQ-DQRAZIAOSA-N -1 0 565.555 6.149 50 30 KKEARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F ZINC000100913912 554519349 /nfs/dbraw/zinc/51/93/49/554519349.db2.gz PWBUHPOPVPNAIK-UHFFFAOYSA-N -1 0 556.838 5.361 50 30 KKEARM Cc1ccc2nc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)oc2c1 ZINC000100957575 554540431 /nfs/dbraw/zinc/54/04/31/554540431.db2.gz IPTPAEWDTXTWNB-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000101069820 554574278 /nfs/dbraw/zinc/57/42/78/554574278.db2.gz POZKHLZQVTVRCU-YDJIHCHBSA-N -1 0 536.731 6.748 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000101069861 554574360 /nfs/dbraw/zinc/57/43/60/554574360.db2.gz SMIIQULQUUOUTA-WOOAAIBNSA-N -1 0 513.344 5.726 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000101069854 554574376 /nfs/dbraw/zinc/57/43/76/554574376.db2.gz PKYYTVTWCMHJJF-PGVNHDJNSA-N -1 0 523.408 6.203 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069836 554574384 /nfs/dbraw/zinc/57/43/84/554574384.db2.gz FDYIUEAGIPLPJR-HFEWCJDKSA-N -1 0 537.410 6.441 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069787 554574393 /nfs/dbraw/zinc/57/43/93/554574393.db2.gz IOFPYUIMNHASGV-JBCNATCCSA-N -1 0 523.383 6.133 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069824 554574466 /nfs/dbraw/zinc/57/44/66/554574466.db2.gz SKFQXADIGGLKHZ-HFEWCJDKSA-N -1 0 553.865 6.955 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101071372 554575669 /nfs/dbraw/zinc/57/56/69/554575669.db2.gz ZAARJYDKVBUCRY-NSYGIPOTSA-N -1 0 560.473 6.661 50 30 KKEARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000101172193 554661910 /nfs/dbraw/zinc/66/19/10/554661910.db2.gz FTQDJVZNPJRVPG-DXIXRGHPSA-N -1 0 512.731 6.983 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276836 554703587 /nfs/dbraw/zinc/70/35/87/554703587.db2.gz SPFVGAOJEUVWQT-CZNAVJSXSA-N -1 0 618.664 5.155 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000101277373 554703994 /nfs/dbraw/zinc/70/39/94/554703994.db2.gz DMHIXOCMQRRWGH-NXLSWJSLSA-N -1 0 578.643 5.145 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000101278008 554704549 /nfs/dbraw/zinc/70/45/49/554704549.db2.gz KRZZUAHBOWTEEX-ONQGDUAMSA-N -1 0 625.659 6.216 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000101278207 554704833 /nfs/dbraw/zinc/70/48/33/554704833.db2.gz SVXBLDUZODXGHK-JBCNATCCSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000101278526 554705097 /nfs/dbraw/zinc/70/50/97/554705097.db2.gz BKDWXQNIUHFJOO-CZNAVJSXSA-N -1 0 581.650 5.703 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294536 554711180 /nfs/dbraw/zinc/71/11/80/554711180.db2.gz RGNUDEGGICXRNL-MOBKVPTQSA-N -1 0 504.589 5.558 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294335 554711306 /nfs/dbraw/zinc/71/13/06/554711306.db2.gz QNCYSROSRFPRFL-NPJIAGGLSA-N -1 0 561.015 5.912 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316862 554724139 /nfs/dbraw/zinc/72/41/39/554724139.db2.gz PPUMWZZHRBONIC-NSOCNUKWSA-N -1 0 615.708 6.484 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316975 554724332 /nfs/dbraw/zinc/72/43/32/554724332.db2.gz XPIZKVVEMNGGDW-ROBPHKHBSA-N -1 0 615.708 6.484 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000101347439 554737558 /nfs/dbraw/zinc/73/75/58/554737558.db2.gz LVLWDQYQRYTGAH-SGANQWHYSA-N -1 0 557.584 5.710 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000101479511 554783249 /nfs/dbraw/zinc/78/32/49/554783249.db2.gz OYIRDJGPKCKKBM-JTHRFTPNSA-N -1 0 592.080 6.922 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)CC(=O)c1ccc(O)cc1 ZINC000101812546 554839989 /nfs/dbraw/zinc/83/99/89/554839989.db2.gz XPKWVKAFFLOITI-UHFFFAOYSA-N -1 0 580.810 9.000 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101975101 554862851 /nfs/dbraw/zinc/86/28/51/554862851.db2.gz QZUXAACEWRERPR-AREMUKBSSA-N -1 0 613.648 6.207 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000102051216 554871202 /nfs/dbraw/zinc/87/12/02/554871202.db2.gz XFFURAPCAIKUNR-MNNSJKJDSA-N -1 0 535.600 5.854 50 30 KKEARM COc1cc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000102052526 554871673 /nfs/dbraw/zinc/87/16/73/554871673.db2.gz YFHKWXPFSVTGQS-SOKVYYICSA-N -1 0 571.655 5.924 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OCc1ccccc1 ZINC000102052758 554871854 /nfs/dbraw/zinc/87/18/54/554871854.db2.gz JXOFRPYAQSGCHU-IANOAQMISA-N -1 0 617.727 7.486 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OCc1ccccc1 ZINC000102052752 554871866 /nfs/dbraw/zinc/87/18/66/554871866.db2.gz JXOFRPYAQSGCHU-GJBXTBEHSA-N -1 0 617.727 7.486 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053185 554872095 /nfs/dbraw/zinc/87/20/95/554872095.db2.gz ZUGWXNOQJHYNCI-XJFCNFDWSA-N -1 0 557.675 7.566 50 30 KKEARM COc1cccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000102053443 554872392 /nfs/dbraw/zinc/87/23/92/554872392.db2.gz YOLZAQSNKCHMEN-WGDIFIGCSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053680 554872438 /nfs/dbraw/zinc/87/24/38/554872438.db2.gz OOVVOURMNDQOJV-IVCQMTBJSA-N -1 0 549.574 6.917 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)CC(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccc(OC)cc1 ZINC000102055949 554872814 /nfs/dbraw/zinc/87/28/14/554872814.db2.gz GMVFOTNMCDMIQY-UHFFFAOYSA-N -1 0 567.767 9.345 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2cc(=O)n(-c3ccccc3)[n-]2)C1=O ZINC000102055665 554872939 /nfs/dbraw/zinc/87/29/39/554872939.db2.gz FSGHLHYYNXAXFF-SANMLTNESA-N -1 0 509.735 7.764 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1 ZINC000102165938 554890404 /nfs/dbraw/zinc/89/04/04/554890404.db2.gz QCXUFOUWYUJIHY-HKBQPEDESA-N -1 0 617.864 7.861 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102488928 554938874 /nfs/dbraw/zinc/93/88/74/554938874.db2.gz VIPDPBREHCPCFI-MOBKVPTQSA-N -1 0 551.418 5.702 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102489799 554939108 /nfs/dbraw/zinc/93/91/08/554939108.db2.gz NUFAWBAQGHYERI-IUKMQXEJSA-N -1 0 526.416 5.949 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102489812 554939152 /nfs/dbraw/zinc/93/91/52/554939152.db2.gz NUFAWBAQGHYERI-NPJIAGGLSA-N -1 0 526.416 5.949 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102493141 554939717 /nfs/dbraw/zinc/93/97/17/554939717.db2.gz DWJDUUBPIUACRA-AHPONGEQSA-N -1 0 549.623 6.434 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102493629 554940120 /nfs/dbraw/zinc/94/01/20/554940120.db2.gz GAPRIEXLSQFQNH-MRJHHRETSA-N -1 0 541.025 5.613 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102506329 554944585 /nfs/dbraw/zinc/94/45/85/554944585.db2.gz QYHLOJQWZMACMS-HOGKFDNTSA-N -1 0 506.605 5.782 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102508113 554945187 /nfs/dbraw/zinc/94/51/87/554945187.db2.gz KZIOSIHDEGXMNA-NPJIAGGLSA-N -1 0 530.602 5.647 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102520484 554949626 /nfs/dbraw/zinc/94/96/26/554949626.db2.gz BVMBPVKAIIZGMI-HFEWCJDKSA-N -1 0 503.511 5.587 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102527147 554952483 /nfs/dbraw/zinc/95/24/83/554952483.db2.gz PZGXVMIXPXZZJZ-MOBKVPTQSA-N -1 0 535.419 6.084 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102527142 554952537 /nfs/dbraw/zinc/95/25/37/554952537.db2.gz PZGXVMIXPXZZJZ-HOGKFDNTSA-N -1 0 535.419 6.084 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102529317 554953032 /nfs/dbraw/zinc/95/30/32/554953032.db2.gz YNJPPDKWZFQVTF-MRJHHRETSA-N -1 0 539.382 5.833 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102529323 554953084 /nfs/dbraw/zinc/95/30/84/554953084.db2.gz YNJPPDKWZFQVTF-JBCNATCCSA-N -1 0 539.382 5.833 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102529795 554953425 /nfs/dbraw/zinc/95/34/25/554953425.db2.gz JGRLGPOEBKOMGG-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102529954 554953491 /nfs/dbraw/zinc/95/34/91/554953491.db2.gz SDRHGBNICKOYJR-SBXHHDGASA-N -1 0 534.565 5.478 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102536318 554955652 /nfs/dbraw/zinc/95/56/52/554955652.db2.gz CMSIITJRWWGINW-ONQGDUAMSA-N -1 0 614.676 5.856 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102537587 554956323 /nfs/dbraw/zinc/95/63/23/554956323.db2.gz ZGZORVXKWOMSQM-AYWGPLOBSA-N -1 0 596.042 5.472 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102544046 554958433 /nfs/dbraw/zinc/95/84/33/554958433.db2.gz WXXYVJMEFMACKJ-HOGKFDNTSA-N -1 0 520.563 5.240 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102547600 554959964 /nfs/dbraw/zinc/95/99/64/554959964.db2.gz IZPONIVBIWBCRU-CJJGVWJISA-N -1 0 613.648 6.050 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102549532 554961058 /nfs/dbraw/zinc/96/10/58/554961058.db2.gz VINNVDSSNVRWHP-MIOXIQPJSA-N -1 0 611.075 6.926 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102558059 554965599 /nfs/dbraw/zinc/96/55/99/554965599.db2.gz WBYWHIBBVMKTGF-XYGUOAIHSA-N -1 0 571.869 7.206 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102561322 554968346 /nfs/dbraw/zinc/96/83/46/554968346.db2.gz GKFCYGSISOMEGX-IKZPYDRGSA-N -1 0 569.639 5.384 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102580511 554972205 /nfs/dbraw/zinc/97/22/05/554972205.db2.gz VBBPRKBXZBXELW-UUALVTFQSA-N -1 0 606.697 6.019 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102584194 554972748 /nfs/dbraw/zinc/97/27/48/554972748.db2.gz QHRHEBQCXVHLQN-HSZRJFAPSA-N -1 0 566.632 5.223 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102590442 554973779 /nfs/dbraw/zinc/97/37/79/554973779.db2.gz CDTDKIKXMVTYGJ-CJJGVWJISA-N -1 0 603.697 6.490 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102599023 554977490 /nfs/dbraw/zinc/97/74/90/554977490.db2.gz ZDHNJQJDHCTYJO-IUKMQXEJSA-N -1 0 587.679 5.545 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102601681 554977973 /nfs/dbraw/zinc/97/79/73/554977973.db2.gz SBDFHBPLNOGZTP-MIOXIQPJSA-N -1 0 626.687 6.029 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102610333 554980776 /nfs/dbraw/zinc/98/07/76/554980776.db2.gz VSMFVBKBTCOUAA-NXLSWJSLSA-N -1 0 573.652 5.237 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102609264 554980846 /nfs/dbraw/zinc/98/08/46/554980846.db2.gz YJDFTQYKTFCXTP-IUKMQXEJSA-N -1 0 605.669 5.766 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000102614251 554984044 /nfs/dbraw/zinc/98/40/44/554984044.db2.gz AYCJFSPMBOYRJO-MRJHHRETSA-N -1 0 500.605 5.160 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102614566 554984057 /nfs/dbraw/zinc/98/40/57/554984057.db2.gz AZKVQXXTGDGOGP-NHFXJNLRSA-N -1 0 502.832 5.893 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102615340 554984275 /nfs/dbraw/zinc/98/42/75/554984275.db2.gz JRTLDRGVCWHUEN-CZNAVJSXSA-N -1 0 620.152 7.005 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102615848 554984339 /nfs/dbraw/zinc/98/43/39/554984339.db2.gz DWBZJNOTACKMTQ-UUALVTFQSA-N -1 0 582.634 5.631 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102624239 554987745 /nfs/dbraw/zinc/98/77/45/554987745.db2.gz YWBSVIGSQZSVEN-NHFXJNLRSA-N -1 0 513.384 5.148 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102624120 554987758 /nfs/dbraw/zinc/98/77/58/554987758.db2.gz LBMAEEKTBSEYBT-ZHHPLPSFSA-N -1 0 612.516 6.535 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102623331 554987764 /nfs/dbraw/zinc/98/77/64/554987764.db2.gz AEYJXOUBPIMJEN-NPJIAGGLSA-N -1 0 562.644 5.621 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102651006 554995911 /nfs/dbraw/zinc/99/59/11/554995911.db2.gz ZMAUQISYADBSRA-XLNMUAQOSA-N -1 0 547.976 5.808 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102651652 554996260 /nfs/dbraw/zinc/99/62/60/554996260.db2.gz LVOZOFLAAJFTJN-WBMUNJTESA-N -1 0 589.670 5.928 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102652223 554996508 /nfs/dbraw/zinc/99/65/08/554996508.db2.gz IPAUEBUFQPGGIC-YMCWBSDSSA-N -1 0 565.420 6.148 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102652055 554996574 /nfs/dbraw/zinc/99/65/74/554996574.db2.gz ABRLQZFVXMEBCH-YMCWBSDSSA-N -1 0 565.420 6.148 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102653737 554997408 /nfs/dbraw/zinc/99/74/08/554997408.db2.gz KCGQOJOZVAIBLA-HALAOQOWSA-N -1 0 610.544 7.087 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102656164 554999137 /nfs/dbraw/zinc/99/91/37/554999137.db2.gz SZNBQTUBQVICCR-CZNAVJSXSA-N -1 0 620.680 5.379 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102664024 555001147 /nfs/dbraw/zinc/00/11/47/555001147.db2.gz GITBJUKPICBQOH-ZHHPLPSFSA-N -1 0 534.977 5.356 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102663326 555001245 /nfs/dbraw/zinc/00/12/45/555001245.db2.gz KZFVDRUJXYUOAJ-XLNMUAQOSA-N -1 0 531.521 5.293 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102664028 555001255 /nfs/dbraw/zinc/00/12/55/555001255.db2.gz GITBJUKPICBQOH-AYWGPLOBSA-N -1 0 534.977 5.356 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102665795 555001628 /nfs/dbraw/zinc/00/16/28/555001628.db2.gz OKBVGDJVMRLNSO-BJDFWYCCSA-N -1 0 502.379 5.103 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102677687 555004338 /nfs/dbraw/zinc/00/43/38/555004338.db2.gz OCIPVPXTHYZOLQ-LOOKCOSASA-N -1 0 634.751 6.546 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102710380 555016449 /nfs/dbraw/zinc/01/64/49/555016449.db2.gz JKOPZSSXKXJOAY-NPJIAGGLSA-N -1 0 544.629 5.819 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102716237 555018917 /nfs/dbraw/zinc/01/89/17/555018917.db2.gz SQHIGWBEZBTIAS-ZHHPLPSFSA-N -1 0 533.005 5.925 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733464 555024482 /nfs/dbraw/zinc/02/44/82/555024482.db2.gz CVXZFCNSWDNFPD-AYWGPLOBSA-N -1 0 504.995 6.147 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770803 555058145 /nfs/dbraw/zinc/05/81/45/555058145.db2.gz MYNPSRVRPGBLNR-WTPDXTQDSA-N -1 0 555.414 6.692 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771275 555060061 /nfs/dbraw/zinc/06/00/61/555060061.db2.gz LMIYFPDDGYERDB-XLNMUAQOSA-N -1 0 537.424 6.553 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102865413 555094883 /nfs/dbraw/zinc/09/48/83/555094883.db2.gz ZRBLHKZAHHQHET-KQAPWQHSSA-N -1 0 514.603 5.865 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102869558 555099194 /nfs/dbraw/zinc/09/91/94/555099194.db2.gz XPCBWLLEHBDHQP-NXLSWJSLSA-N -1 0 510.974 5.696 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102873548 555104065 /nfs/dbraw/zinc/10/40/65/555104065.db2.gz FNFNLZXDQDVGCR-NPJIAGGLSA-N -1 0 543.601 5.074 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102873546 555104071 /nfs/dbraw/zinc/10/40/71/555104071.db2.gz FNFNLZXDQDVGCR-IUKMQXEJSA-N -1 0 543.601 5.074 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874625 555104945 /nfs/dbraw/zinc/10/49/45/555104945.db2.gz GPOSVMFWDRDRDI-YDJIHCHBSA-N -1 0 561.443 5.878 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102877090 555106720 /nfs/dbraw/zinc/10/67/20/555106720.db2.gz SCWVRJULSSSSQR-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102881456 555110195 /nfs/dbraw/zinc/11/01/95/555110195.db2.gz CIOLPXJGDCJMBR-ZHHPLPSFSA-N -1 0 550.564 5.096 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000102882460 555110752 /nfs/dbraw/zinc/11/07/52/555110752.db2.gz OGJKMBVYOSHSCJ-NPJIAGGLSA-N -1 0 536.422 5.405 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883969 555112658 /nfs/dbraw/zinc/11/26/58/555112658.db2.gz CVMXMKXZPBYRQR-AYWGPLOBSA-N -1 0 569.422 6.009 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102885045 555115109 /nfs/dbraw/zinc/11/51/09/555115109.db2.gz GTBDSYMWLLANMR-CZNAVJSXSA-N -1 0 577.058 6.526 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102886091 555116420 /nfs/dbraw/zinc/11/64/20/555116420.db2.gz LDMFZYRTXJWMSN-UUALVTFQSA-N -1 0 570.623 5.518 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887297 555118828 /nfs/dbraw/zinc/11/88/28/555118828.db2.gz YZPKENIGULFGEA-XVTRYDTASA-N -1 0 620.152 6.832 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887301 555118844 /nfs/dbraw/zinc/11/88/44/555118844.db2.gz BBQMRYCDWAPUOX-NSOCNUKWSA-N -1 0 617.724 6.708 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887800 555120141 /nfs/dbraw/zinc/12/01/41/555120141.db2.gz JLYOKVIJEMEGHU-KXDYMIPJSA-N -1 0 599.734 6.569 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888259 555121165 /nfs/dbraw/zinc/12/11/65/555121165.db2.gz FWTOIUXJIIMMQG-BFLOGMOSSA-N -1 0 613.717 5.875 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102888910 555122528 /nfs/dbraw/zinc/12/25/28/555122528.db2.gz XRYOYJSRAFUQJC-CJJGVWJISA-N -1 0 556.596 5.128 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889568 555123729 /nfs/dbraw/zinc/12/37/29/555123729.db2.gz MOEWHYVMYSZBCK-OGHRCCBNSA-N -1 0 592.670 5.375 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102890604 555125855 /nfs/dbraw/zinc/12/58/55/555125855.db2.gz QAPIOLNGDNHQKY-NXLSWJSLSA-N -1 0 593.455 5.855 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893695 555131449 /nfs/dbraw/zinc/13/14/49/555131449.db2.gz GNOXBHNFHVRHAE-ONQGDUAMSA-N -1 0 612.660 5.605 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccs2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102894082 555131966 /nfs/dbraw/zinc/13/19/66/555131966.db2.gz GOYOUIDHQDFOHK-NHFXJNLRSA-N -1 0 510.980 5.409 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895424 555134338 /nfs/dbraw/zinc/13/43/38/555134338.db2.gz FQQGDAFKVHBLNE-FZIYRNTBSA-N -1 0 620.724 6.156 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895727 555134847 /nfs/dbraw/zinc/13/48/47/555134847.db2.gz ICFCGXWZFNCMMB-FLJNSMSWSA-N -1 0 619.139 7.477 50 30 KKEARM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102896786 555136803 /nfs/dbraw/zinc/13/68/03/555136803.db2.gz OXADDQXORPTXFI-XXASTYAFSA-N -1 0 572.639 5.718 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897429 555137865 /nfs/dbraw/zinc/13/78/65/555137865.db2.gz HUHSWABZFOOHEP-MEDZALOKSA-N -1 0 549.004 5.614 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898254 555138373 /nfs/dbraw/zinc/13/83/73/555138373.db2.gz HWYPPSNSBGXLNK-WGQAXHKASA-N -1 0 533.005 5.908 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899474 555139348 /nfs/dbraw/zinc/13/93/48/555139348.db2.gz SAEVUAAUPQMQLK-LODGOHBISA-N -1 0 613.761 6.877 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102926125 555150298 /nfs/dbraw/zinc/15/02/98/555150298.db2.gz IAEGKQNLYNUREC-AYWGPLOBSA-N -1 0 536.631 5.790 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000102926170 555150677 /nfs/dbraw/zinc/15/06/77/555150677.db2.gz VUTVBDFXVIPBKM-WOOAAIBNSA-N -1 0 512.609 5.105 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102929722 555155783 /nfs/dbraw/zinc/15/57/83/555155783.db2.gz XNTVMBNJIBPMDK-MOBKVPTQSA-N -1 0 508.958 6.114 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102931901 555159364 /nfs/dbraw/zinc/15/93/64/555159364.db2.gz WYWCMNNQTJTMKN-MOBKVPTQSA-N -1 0 569.864 6.737 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1N1CCCCC1 ZINC000102934300 555161506 /nfs/dbraw/zinc/16/15/06/555161506.db2.gz PXDGHZMTSPIQPY-UHFFFAOYSA-N -1 0 618.781 6.042 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccc(Oc3ccccc3)cc2S(=O)(=O)[O-])[nH]1 ZINC000103001435 555201278 /nfs/dbraw/zinc/20/12/78/555201278.db2.gz BJVDVHHCUBDLGX-UHFFFAOYSA-N -1 0 613.821 8.154 50 30 KKEARM CCCc1sc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c(C#N)c1C ZINC000103681542 555462226 /nfs/dbraw/zinc/46/22/26/555462226.db2.gz BIOKXSMWQVWHGY-ZDLGFXPLSA-N -1 0 557.528 6.426 50 30 KKEARM CCOc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(I)c1OC(=O)c1ccccc1 ZINC000103786764 555477658 /nfs/dbraw/zinc/47/76/58/555477658.db2.gz HZDDUFIXSVNPKW-QFEZKATASA-N -1 0 530.318 5.053 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735756 571361140 /nfs/dbraw/zinc/36/11/40/571361140.db2.gz FGAKELFPMCSZEV-QHCPKHFHSA-N -1 0 566.632 5.135 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000103929024 571370077 /nfs/dbraw/zinc/37/00/77/571370077.db2.gz GCMOQPFZYQVVGK-NHFXJNLRSA-N -1 0 571.449 5.334 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000103928974 571370145 /nfs/dbraw/zinc/37/01/45/571370145.db2.gz ZFISHYDAVKQXPJ-NHFXJNLRSA-N -1 0 526.998 5.225 50 30 KKEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)cc1OC ZINC000108451032 571425484 /nfs/dbraw/zinc/42/54/84/571425484.db2.gz OOILVXIFJPWHBA-LJQANCHMSA-N -1 0 532.545 5.235 50 30 biogenic KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CCC)c2=O)nc1-c1ccccc1 ZINC000109060405 571428263 /nfs/dbraw/zinc/42/82/63/571428263.db2.gz GKLSCTBGLJZNKJ-UHFFFAOYSA-N -1 0 601.857 9.737 50 30 KKEARM CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1/N=C/c1cc(I)cc(I)c1[O-] ZINC000150339427 571457420 /nfs/dbraw/zinc/45/74/20/571457420.db2.gz ADPGEVSETMJAFY-KPGMTVGESA-N -1 0 730.365 8.472 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344384 571459316 /nfs/dbraw/zinc/45/93/16/571459316.db2.gz WGZYEJQZCIIECH-RMXLIXJLSA-N -1 0 662.089 6.781 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000150352382 571462418 /nfs/dbraw/zinc/46/24/18/571462418.db2.gz ZYBQIKQEJQSZGR-YCPBAFNGSA-N -1 0 635.026 7.467 50 30 KKEARM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1=CC=CC=CC1=[N+](CC)c2ccc(S(=O)(=O)[O-])cc2[C@@]1(C)CCCC(=O)ON1C(=O)CCC1=O ZINC000150355130 571463081 /nfs/dbraw/zinc/46/30/81/571463081.db2.gz DHPDDVGVRRSIOX-PSXMRANNSA-O -1 0 740.877 5.148 50 30 KKEARM COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000150357360 571463355 /nfs/dbraw/zinc/46/33/55/571463355.db2.gz UPXBKAKGSYOUQC-LUOAPIJWSA-N -1 0 635.359 6.795 50 30 KKEARM CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)[C@H]3CCC[C@H]3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)[O-])SC1=S ZINC000150369905 571465696 /nfs/dbraw/zinc/46/56/96/571465696.db2.gz WZGXSNHXTGGEGJ-JWIOXNRGSA-N -1 0 826.122 9.529 50 30 KKEARM CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)[C@@H]3CCC[C@H]3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)[O-])SC1=S ZINC000150369903 571465759 /nfs/dbraw/zinc/46/57/59/571465759.db2.gz WZGXSNHXTGGEGJ-IDYLGLMNSA-N -1 0 826.122 9.529 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150387091 571469804 /nfs/dbraw/zinc/46/98/04/571469804.db2.gz WQMWNXHUUDIZBP-TXTDGAROSA-N -1 0 663.749 6.555 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418203 571486386 /nfs/dbraw/zinc/48/63/86/571486386.db2.gz IECSAWRQOZEICZ-WKUSSTJHSA-N -1 0 664.205 7.231 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422188 571488056 /nfs/dbraw/zinc/48/80/56/571488056.db2.gz PCXGNBGMNYVOGS-QZDFLZESSA-N -1 0 671.841 7.604 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426375 571490586 /nfs/dbraw/zinc/49/05/86/571490586.db2.gz RSWKTUBHJPCSQE-NXLSWJSLSA-N -1 0 636.107 5.668 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426644 571490977 /nfs/dbraw/zinc/49/09/77/571490977.db2.gz MWQIIKDOJYSFOA-QMDVFYPZSA-N -1 0 649.750 6.720 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OC)c2)nc1C ZINC000150432182 571494140 /nfs/dbraw/zinc/49/41/40/571494140.db2.gz GSRAPVXZKJQMRM-LJAQVGFWSA-N -1 0 648.778 7.334 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435495 571495497 /nfs/dbraw/zinc/49/54/97/571495497.db2.gz DAGLJGLTWUUADW-HTDBSKDNSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435533 571495511 /nfs/dbraw/zinc/49/55/11/571495511.db2.gz LOSQQCCTQRVVIX-DNPZSINUSA-N -1 0 709.821 7.897 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439712 571497520 /nfs/dbraw/zinc/49/75/20/571497520.db2.gz UCYRZWYTLNYIBE-UGQRDJPYSA-N -1 0 691.831 7.758 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439916 571497581 /nfs/dbraw/zinc/49/75/81/571497581.db2.gz VYFRXGUGTUNNRV-QCRSBAEDSA-N -1 0 726.276 8.411 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445307 571500494 /nfs/dbraw/zinc/50/04/94/571500494.db2.gz XQWYNSVFGAVIIY-WGGXKBPPSA-N -1 0 656.713 6.003 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445616 571500628 /nfs/dbraw/zinc/50/06/28/571500628.db2.gz NOTAMKLKMUQBEA-UUALVTFQSA-N -1 0 644.702 5.778 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445843 571500777 /nfs/dbraw/zinc/50/07/77/571500777.db2.gz OFZMUGYCGMCRGQ-QBCYBHDASA-N -1 0 662.233 8.003 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454001 571503757 /nfs/dbraw/zinc/50/37/57/571503757.db2.gz HISKGDICXHCIRS-CJNZMNDESA-N -1 0 697.838 8.512 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457088 571504692 /nfs/dbraw/zinc/50/46/92/571504692.db2.gz LWZQMYQLJRPHKJ-HWTUVFLMSA-N -1 0 659.761 6.883 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457680 571504892 /nfs/dbraw/zinc/50/48/92/571504892.db2.gz HIBLOLNHIVPKHV-FPRSLYQBSA-N -1 0 682.651 8.266 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457685 571504977 /nfs/dbraw/zinc/50/49/77/571504977.db2.gz HIBLOLNHIVPKHV-XKNZNLGKSA-N -1 0 682.651 8.266 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457537 571505040 /nfs/dbraw/zinc/50/50/40/571505040.db2.gz ZXSIOKUULPFQPW-VGZNNGDKSA-N -1 0 675.804 7.497 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457825 571505356 /nfs/dbraw/zinc/50/53/56/571505356.db2.gz NGDBHKLVKGCDLV-LHKMDIPOSA-N -1 0 678.232 7.621 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458714 571505538 /nfs/dbraw/zinc/50/55/38/571505538.db2.gz CSMVLPGZCSFUOR-WENCHWOGSA-N -1 0 655.798 7.052 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459180 571505711 /nfs/dbraw/zinc/50/57/11/571505711.db2.gz HGKKTZNKTYTPJK-JVJOXMINSA-N -1 0 634.179 7.222 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461135 571506388 /nfs/dbraw/zinc/50/63/88/571506388.db2.gz FEIIJYJUZCVHIQ-RIEKNRFYSA-N -1 0 689.831 7.887 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463357 571507244 /nfs/dbraw/zinc/50/72/44/571507244.db2.gz ZZKHMJFNQCFEHC-JNYBUSFRSA-N -1 0 647.778 7.498 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463845 571507427 /nfs/dbraw/zinc/50/74/27/571507427.db2.gz FWSCFIOLGYGWHX-HTDBSKDNSA-N -1 0 693.847 8.121 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463847 571507529 /nfs/dbraw/zinc/50/75/29/571507529.db2.gz FWSCFIOLGYGWHX-JOZOHXTNSA-N -1 0 693.847 8.121 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150467211 571508067 /nfs/dbraw/zinc/50/80/67/571508067.db2.gz UAMJXCQTGNPPDF-SZYGQJGOSA-N -1 0 695.819 7.569 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471603 571509656 /nfs/dbraw/zinc/50/96/56/571509656.db2.gz ZBTBGLGJEGZDSE-GBIFRDBCSA-N -1 0 710.661 8.050 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000150472711 571510142 /nfs/dbraw/zinc/51/01/42/571510142.db2.gz JVGWSARPEKHLOS-GMBUILNLSA-N -1 0 628.534 7.226 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475832 571510901 /nfs/dbraw/zinc/51/09/01/571510901.db2.gz LAOGLNRQSDBICE-XXAHXYPMSA-N -1 0 740.731 9.055 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476324 571510910 /nfs/dbraw/zinc/51/09/10/571510910.db2.gz HSXAVPDVGAGPRN-HWTUVFLMSA-N -1 0 696.678 8.512 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150477249 571511248 /nfs/dbraw/zinc/51/12/48/571511248.db2.gz QNALETOPSUWILV-QMMFTLRZSA-N -1 0 651.766 7.170 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150478127 571511423 /nfs/dbraw/zinc/51/14/23/571511423.db2.gz RKCLOGHTGKCVHK-DFXXOVSGSA-N -1 0 680.204 7.069 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150479741 571511953 /nfs/dbraw/zinc/51/19/53/571511953.db2.gz AWMGHMIZEHUAPM-TXTDGAROSA-N -1 0 647.750 6.936 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150481334 571512561 /nfs/dbraw/zinc/51/25/61/571512561.db2.gz ZUPKBPIDNWZANI-DFXXOVSGSA-N -1 0 664.205 7.450 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150482345 571513132 /nfs/dbraw/zinc/51/31/32/571513132.db2.gz ZJSODRHOELEOHJ-DFXXOVSGSA-N -1 0 680.204 7.069 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150482350 571513141 /nfs/dbraw/zinc/51/31/41/571513141.db2.gz ZJSODRHOELEOHJ-TXTDGAROSA-N -1 0 680.204 7.069 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150482758 571513425 /nfs/dbraw/zinc/51/34/25/571513425.db2.gz KUBGYVYEIYHQKD-MUUNZHRXSA-N -1 0 644.149 8.507 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150484749 571515119 /nfs/dbraw/zinc/51/51/19/571515119.db2.gz BXDWTPNMTWWBIQ-CJJGVWJISA-N -1 0 634.135 6.446 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484878 571515484 /nfs/dbraw/zinc/51/54/84/571515484.db2.gz GKZPVEVDUNHMNT-WGQAXHKASA-N -1 0 644.989 7.740 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485501 571515877 /nfs/dbraw/zinc/51/58/77/571515877.db2.gz VCUUNFCHLULILX-WJOKGBTCSA-N -1 0 704.899 9.377 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486759 571516440 /nfs/dbraw/zinc/51/64/40/571516440.db2.gz OFJQFMSNVJIRTN-XXAHXYPMSA-N -1 0 716.668 8.666 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795615 571560682 /nfs/dbraw/zinc/56/06/82/571560682.db2.gz WGZYEJQZCIIECH-SMYKQSBYSA-N -1 0 662.089 6.781 50 30 KKEARM COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OC(C)C)c(OC)c2)C(=O)C1=O ZINC000217967939 571602842 /nfs/dbraw/zinc/60/28/42/571602842.db2.gz ILMZEIMERQQJLQ-FGZHOGPDSA-N -1 0 640.682 5.048 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1 ZINC000263585940 572121059 /nfs/dbraw/zinc/12/10/59/572121059.db2.gz OBOSRLXSIHLKNW-RUZDIDTESA-N -1 0 507.026 7.457 50 30 KKEARM CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000227163580 572151000 /nfs/dbraw/zinc/15/10/00/572151000.db2.gz HNYGVFNSMCPWFM-ZGIBFIJWSA-N -1 0 543.620 6.385 50 30 KKEARM CC1(C)c2ccccc2N(CCCS(=O)(=O)[O-])/C1=C/C=C1C=C(I)C(=O)C(I)=C1 ZINC000334160120 572153802 /nfs/dbraw/zinc/15/38/02/572153802.db2.gz SFPKEYWHHIHKEO-DJKKODMXSA-N -1 0 637.277 5.093 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000239302889 572193295 /nfs/dbraw/zinc/19/32/95/572193295.db2.gz FTQDJVZNPJRVPG-RCWJEKSOSA-N -1 0 512.731 6.983 50 30 KKEARM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000242473327 572197396 /nfs/dbraw/zinc/19/73/96/572197396.db2.gz FGNSJITXQYOLGG-FXPXAECDSA-N -1 0 707.927 7.294 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242522147 572197865 /nfs/dbraw/zinc/19/78/65/572197865.db2.gz IJDRCJGYWUCJTR-BFYUJEOXSA-N -1 0 828.109 8.619 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(Nc3cc(C)cc(C)c3)C4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245226418 572203963 /nfs/dbraw/zinc/20/39/63/572203963.db2.gz WFDCRXTVWPJJAQ-OIUJQXAFSA-N -1 0 814.929 5.687 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Br)c1 ZINC000252462002 572261279 /nfs/dbraw/zinc/26/12/79/572261279.db2.gz PBKQLVSKNRJXCD-UHFFFAOYSA-N -1 0 519.222 5.526 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000252504392 572261803 /nfs/dbraw/zinc/26/18/03/572261803.db2.gz ANKSFLDOVZNXOJ-RRMOYXFJSA-N -1 0 994.129 10.456 50 30 KKEARM O=C1NC(=NN=Cc2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000252606670 572267930 /nfs/dbraw/zinc/26/79/30/572267930.db2.gz GUHNGVPLBILIEP-DSRWTINISA-N -1 0 515.614 5.165 50 30 KKEARM CCOc1cc(-c2nc3ccccn3c2N=Cc2cc(Br)cc(Br)c2[O-])ccc1O ZINC000252595363 572266895 /nfs/dbraw/zinc/26/68/95/572266895.db2.gz CAJHXOCCVUZDGL-UHFFFAOYSA-N -1 0 531.204 6.087 50 30 KKEARM Cc1cccc(C)c1N=C1S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1c(C)cccc1C ZINC000252597001 572267029 /nfs/dbraw/zinc/26/70/29/572267029.db2.gz CNKQRYJQNOUDLX-MABSDVAJSA-N -1 0 541.898 7.850 50 30 KKEARM N#Cc1c(N=Cc2cc(I)cc(I)c2[O-])oc(-c2ccccc2)c1-c1ccccc1 ZINC000252601414 572267406 /nfs/dbraw/zinc/26/74/06/572267406.db2.gz FAFIAPJBANAHHW-UHFFFAOYSA-N -1 0 616.196 7.151 50 30 KKEARM COc1ccc(N=C2S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2CC(C)C)cc1 ZINC000252601929 572267512 /nfs/dbraw/zinc/26/75/12/572267512.db2.gz FEEGWZWYYWVSDT-VQIHVGMLSA-N -1 0 519.417 5.181 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252609037 572268097 /nfs/dbraw/zinc/26/80/97/572268097.db2.gz HPOHKGREBAHZOG-CHCPKVMWSA-N -1 0 571.655 5.884 50 30 KKEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1[O-] ZINC000252609567 572268196 /nfs/dbraw/zinc/26/81/96/572268196.db2.gz HUXCEDKRGOSADU-UHFFFAOYSA-N -1 0 518.356 7.757 50 30 KKEARM CSc1nc2ccc(NC(=O)CSc3nc4ccc(N=Cc5cc(Br)c([O-])c(Br)c5)cc4s3)cc2s1 ZINC000252612450 572268327 /nfs/dbraw/zinc/26/83/27/572268327.db2.gz ITNKXJLNRQBBIL-UHFFFAOYSA-N -1 0 680.494 8.340 50 30 KKEARM CCCCN(CCCC)c1nc(N=NCc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252616608 572268746 /nfs/dbraw/zinc/26/87/46/572268746.db2.gz KBQOVAPEXBWKTR-UHFFFAOYSA-N -1 0 636.349 6.607 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000252622829 572269866 /nfs/dbraw/zinc/26/98/66/572269866.db2.gz ODRRAVGGZDOGIU-FSZDPDSPSA-N -1 0 557.455 6.903 50 30 KKEARM O=C([O-])c1ccc(-c2ccc(C=NN=c3nc(Nc4ccc([N+](=O)[O-])cc4)[nH]c(N4CCCCCC4)n3)o2)cc1 ZINC000252623240 572269953 /nfs/dbraw/zinc/26/99/53/572269953.db2.gz ONALEAWQQAEGPY-UHFFFAOYSA-N -1 0 542.556 5.308 50 30 KKEARM C=CCOc1c(Br)cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Br ZINC000252625211 572270356 /nfs/dbraw/zinc/27/03/56/572270356.db2.gz QFISKEZMTVDBAZ-NRMLNOAJSA-N -1 0 552.244 5.708 50 30 KKEARM O=C1c2ccccc2C(=Nc2ccc(N=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)[C@@H]1c1ccccc1 ZINC000252630308 572271270 /nfs/dbraw/zinc/27/12/70/572271270.db2.gz UZAYYQAXMWJCPB-VWLOTQADSA-N -1 0 540.373 6.914 50 30 KKEARM CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2[O-])SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252634677 572271705 /nfs/dbraw/zinc/27/17/05/572271705.db2.gz WQLRKOBPAFFREH-IJTBWSOMSA-N -1 0 540.233 5.328 50 30 KKEARM COc1cc(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000252634620 572271710 /nfs/dbraw/zinc/27/17/10/572271710.db2.gz WPHNXQHKYUSFKZ-KINVMZOISA-N -1 0 541.629 5.875 50 30 KKEARM CCc1ccc(N=C2S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252638114 572272133 /nfs/dbraw/zinc/27/21/33/572272133.db2.gz XZNBSXNCWDOYKX-DFZXFXTASA-N -1 0 565.489 6.846 50 30 KKEARM O=c1sc2ccccc2c([O-])c1[C@H](CC(=NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000252642180 572272480 /nfs/dbraw/zinc/27/24/80/572272480.db2.gz ZJRKWEFHLSKNRW-WJOKGBTCSA-N -1 0 631.595 9.435 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](Cc3ccccc3)c3ccco3)C1=O)O2 ZINC000253402663 572285567 /nfs/dbraw/zinc/28/55/67/572285567.db2.gz GOGAFENJKBEXJM-RUEZCYJKSA-N -1 0 541.600 5.168 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](Cc3ccccc3)c3ccco3)C1=O)O2 ZINC000253402656 572285570 /nfs/dbraw/zinc/28/55/70/572285570.db2.gz GOGAFENJKBEXJM-RDJLMJCGSA-N -1 0 541.600 5.168 50 30 KKEARM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1 ZINC000253406876 572286362 /nfs/dbraw/zinc/28/63/62/572286362.db2.gz JJSVMLBUBJEKGD-DEOSSOPVSA-N -1 0 547.047 7.999 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC3(Cc4nc5ccccc5[nH]4)CCCCC3)C1=O)O2 ZINC000253409323 572287237 /nfs/dbraw/zinc/28/72/37/572287237.db2.gz LQXFHRCJTTYMMX-CWYWUFEUSA-N -1 0 569.658 5.228 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253501603 572294770 /nfs/dbraw/zinc/29/47/70/572294770.db2.gz MGUKBGMXAHYHQC-LPRIBCDHSA-N -1 0 546.708 5.061 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000253502079 572295335 /nfs/dbraw/zinc/29/53/35/572295335.db2.gz ZXUPZKALWACUFH-PRMNLLCQSA-N -1 0 720.904 5.193 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503096 572295833 /nfs/dbraw/zinc/29/58/33/572295833.db2.gz DUFLDRKJKWPJLH-DUQASTOESA-N -1 0 570.771 5.692 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253503513 572296072 /nfs/dbraw/zinc/29/60/72/572296072.db2.gz QLSKKZPCPDCUDT-MNJPFAMGSA-N -1 0 573.734 5.820 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253504283 572296552 /nfs/dbraw/zinc/29/65/52/572296552.db2.gz BCBXQCAEFQEDQZ-NOAJANCGSA-N -1 0 584.838 7.984 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)c2c1 ZINC000253504807 572296762 /nfs/dbraw/zinc/29/67/62/572296762.db2.gz DWMYNKHBZJVIJZ-MUEVYTTASA-N -1 0 604.744 5.757 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253529387 572297864 /nfs/dbraw/zinc/29/78/64/572297864.db2.gz YWLYGSSMGSIXLN-CVYCQIIJSA-N -1 0 670.851 5.120 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533242 572299306 /nfs/dbraw/zinc/29/93/06/572299306.db2.gz DUFLDRKJKWPJLH-AAXZVQRCSA-N -1 0 570.771 5.692 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534110 572299782 /nfs/dbraw/zinc/29/97/82/572299782.db2.gz ZKLSMMQOZBNCNB-FORQZISESA-N -1 0 556.744 5.014 50 30 KKEARM Cc1c2c(c(C)c(C)c1S(=O)(=O)N=C(N)NCCC[C@@H](C(=O)[O-])N(C)C(=O)OCC1c3ccccc3-c3ccccc31)OC(C)(C)C2 ZINC000097950262 1069689888 /nfs/dbraw/zinc/68/98/88/1069689888.db2.gz MEGKXARLCPKZHJ-LJAQVGFWSA-N -1 0 662.809 5.033 50 30 KKEARM CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCC ZINC000102191134 1069701236 /nfs/dbraw/zinc/70/12/36/1069701236.db2.gz IOLZSQRFJBMYSU-BJKOFHAPSA-N -1 0 554.658 5.210 50 30 KKEARM COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@H](C)C2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000524731196 1069833275 /nfs/dbraw/zinc/83/32/75/1069833275.db2.gz NHNYXPOIGBNLCH-MZTGSHDUSA-N -1 0 634.037 5.326 50 30 KKEARM COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(-c4ccc(C(=O)[O-])cc4)o2)CC(=O)O3)C1=O ZINC000524730303 1069832596 /nfs/dbraw/zinc/83/25/96/1069832596.db2.gz DWOMQHOSLLZCBB-APEOTNBRSA-N -1 0 568.534 5.728 50 30 KKEARM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731133 1069832787 /nfs/dbraw/zinc/83/27/87/1069832787.db2.gz LETQSQZIEJHVCB-GPLMECSSSA-N -1 0 610.999 5.397 50 30 KKEARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@](C#N)(c2ccc(Cl)cc2F)[C@@H]1c1cccc(Cl)c1F ZINC000213349582 1071202663 /nfs/dbraw/zinc/20/26/63/1071202663.db2.gz TVTXCJFHQKSQQM-VLVHCFGSSA-N -1 0 616.492 6.939 50 30 KKEARM Cc1c(Br)c(O)c(C(C)C)cc1C(c1ccccc1S(=O)(=O)[O-])=C1C=C(C(C)C)C(=O)C(Br)=C1C ZINC000072099786 1071207690 /nfs/dbraw/zinc/20/76/90/1071207690.db2.gz WXPNWDZVBHQEAA-LNVKXUELSA-N -1 0 624.391 7.469 50 30 KKEARM CC/C(C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010130466 1071207724 /nfs/dbraw/zinc/20/77/24/1071207724.db2.gz BJZWKDAJSWNBLM-KKMLCIJBSA-N -1 0 502.483 5.715 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(-c3coc4cc([O-])ccc4c3=O)cc2)C[C@H]1C ZINC000604404467 1071269943 /nfs/dbraw/zinc/26/99/43/1071269943.db2.gz ODJYWOOPWOVEDR-QLCIJSRNSA-N -1 0 573.985 5.755 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3cccc(-c4csc(C)n4)c3)C1=O)O2 ZINC000825317993 1071287495 /nfs/dbraw/zinc/28/74/95/1071287495.db2.gz FTCSUSNUJMLHQM-PPOGSYTESA-N -1 0 516.575 5.113 50 30 KKEARM COC(=O)C[C@H](c1ccc(C(C)C)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(C(C)C)cc2)C(=O)C1=O ZINC000217946905 1071293680 /nfs/dbraw/zinc/29/36/80/1071293680.db2.gz HMWHXBUCCWOTRB-DNQXCXABSA-N -1 0 548.632 5.703 50 30 biogenic KKEARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(OC(C)C)cc2)=C([O-])C1=O ZINC000218045985 1071294879 /nfs/dbraw/zinc/29/48/79/1071294879.db2.gz IVRGCYVTBVNKGS-ZEQRLZLVSA-N -1 0 580.630 5.031 50 30 biogenic KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=CC1N(C)c2ccccc2C1(C)C ZINC000886005350 1071314646 /nfs/dbraw/zinc/31/46/46/1071314646.db2.gz YHAOTYSETHQLGD-JPKAJJCKSA-N -1 0 521.599 5.113 50 30 KKEARM O=[N+]([O-])c1ccc(N=NC=CCc2ccccc2[N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000886005346 1071314832 /nfs/dbraw/zinc/31/48/32/1071314832.db2.gz VPTIROPITLOWSE-GFXYALIASA-N -1 0 501.908 5.068 50 30 KKEARM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000254291776 1072844396 /nfs/dbraw/zinc/84/43/96/1072844396.db2.gz PKUIJOONGSOFID-UHFFFAOYSA-N -1 0 559.648 5.877 50 30 KKEARM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C)c1ccc(OC(F)F)cc1 ZINC000254743694 1072874833 /nfs/dbraw/zinc/87/48/33/1072874833.db2.gz CZLFIGDNDXAETC-UHFFFAOYSA-N -1 0 518.542 5.840 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N=C3N=C4C=CC=CN4Cc4ccccc43)ccc2Cl)cc1 ZINC000254857527 1072885349 /nfs/dbraw/zinc/88/53/49/1072885349.db2.gz CPSOMQNBGQRYOW-UHFFFAOYSA-N -1 0 533.009 5.034 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC001500976991 1072920117 /nfs/dbraw/zinc/92/01/17/1072920117.db2.gz FTQDJVZNPJRVPG-FPLJWKQTSA-N -1 0 512.731 6.983 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000000631106 551505017 /nfs/dbraw/zinc/50/50/17/551505017.db2.gz FNQCZVSDSCBUES-QFIPXVFZSA-N -1 0 536.606 5.127 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000000631368 551505121 /nfs/dbraw/zinc/50/51/21/551505121.db2.gz ORGRCOUWMCHZCD-IBGZPJMESA-N -1 0 512.971 5.073 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000633325 551505623 /nfs/dbraw/zinc/50/56/23/551505623.db2.gz UUQDUTKUWVNSJG-XMMPIXPASA-N -1 0 513.575 5.820 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000000702931 551529792 /nfs/dbraw/zinc/52/97/92/551529792.db2.gz QMQFVLSPXSPSLS-FQEVSTJZSA-N -1 0 527.385 6.490 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000000702934 551529918 /nfs/dbraw/zinc/52/99/18/551529918.db2.gz VXLQDMURVMMGME-HXUWFJFHSA-N -1 0 537.391 5.946 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719694 551536099 /nfs/dbraw/zinc/53/60/99/551536099.db2.gz QOIZUQJWQPVTTG-WRGVRERRSA-N -1 0 514.553 5.600 50 30 KKEARM COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)cc(Br)c2[O-])ccc1O ZINC000000805813 551543426 /nfs/dbraw/zinc/54/34/26/551543426.db2.gz VCAYMHVHJNBQOD-BHGWPJFGSA-N -1 0 517.177 5.697 50 30 KKEARM N#C[C@@H](C(N)=O)[C@@H](c1c(-c2ccccc2)[n-]n(-c2ncc(-c3ccccc3)s2)c1=O)c1ccc(Br)cc1 ZINC000000827884 551545502 /nfs/dbraw/zinc/54/55/02/551545502.db2.gz WDJJNDKORIKLCU-GGAORHGYSA-N -1 0 570.472 5.888 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000000893659 551563457 /nfs/dbraw/zinc/56/34/57/551563457.db2.gz FOKFABPMITUVQY-RKOGDMNLSA-N -1 0 519.485 5.092 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000001055452 551600067 /nfs/dbraw/zinc/60/00/67/551600067.db2.gz UZUHWNUJOCJPJO-IBGZPJMESA-N -1 0 514.719 5.189 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243789 551631235 /nfs/dbraw/zinc/63/12/35/551631235.db2.gz SEZWZILQHINOLR-URAOTHONSA-N -1 0 542.563 5.378 50 30 KKEARM CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3)C2)cc1 ZINC000001248369 551631992 /nfs/dbraw/zinc/63/19/92/551631992.db2.gz WKMLAVZSZNFSEK-CAQRMWTPSA-N -1 0 537.660 6.298 50 30 KKEARM CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409189 551663923 /nfs/dbraw/zinc/66/39/23/551663923.db2.gz GGRGZKDCSWLXFQ-BGOLNKOXSA-N -1 0 527.596 5.657 50 30 KKEARM COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437520 551671377 /nfs/dbraw/zinc/67/13/77/551671377.db2.gz DJYXDWKMHGDAOI-YVORESIASA-N -1 0 547.564 5.314 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000001451081 551675681 /nfs/dbraw/zinc/67/56/81/551675681.db2.gz QQBIHKWFXHYNHC-DEOSSOPVSA-N -1 0 518.591 5.950 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001458644 551677361 /nfs/dbraw/zinc/67/73/61/551677361.db2.gz FZVWIXXDDKNVIQ-QGZVFWFLSA-N -1 0 547.814 5.437 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480152 551681530 /nfs/dbraw/zinc/68/15/30/551681530.db2.gz LBIORWHJBGRFHL-QHCPKHFHSA-N -1 0 536.993 5.758 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000001479966 551681588 /nfs/dbraw/zinc/68/15/88/551681588.db2.gz NOHBGVSDNYXYFL-OAQYLSRUSA-N -1 0 523.408 6.360 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480877 551682205 /nfs/dbraw/zinc/68/22/05/551682205.db2.gz HOMBCLAVUIDHNW-HSZRJFAPSA-N -1 0 534.565 5.634 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000001481236 551682319 /nfs/dbraw/zinc/68/23/19/551682319.db2.gz PTAYNRRUSPDBLB-INIZCTEOSA-N -1 0 520.202 5.451 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)[C@@](O)(CC(=O)c3ccccc3)N2c2ccc(OC)cc2)cc1 ZINC000001656808 551688308 /nfs/dbraw/zinc/68/83/08/551688308.db2.gz IMKRISCWILHDNH-DITALETJSA-N -1 0 535.596 5.922 50 30 KKEARM C=CCN(CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000001770945 551696283 /nfs/dbraw/zinc/69/62/83/551696283.db2.gz FDPCRJUCHIXQDS-UHFFFAOYSA-N -1 0 507.508 7.151 50 30 KKEARM CCOc1ccccc1N=C(C)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000001822215 551708936 /nfs/dbraw/zinc/70/89/36/551708936.db2.gz GUWJXOFYAAVUME-STBIYBPSSA-N -1 0 535.094 7.673 50 30 KKEARM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000001882795 551724620 /nfs/dbraw/zinc/72/46/20/551724620.db2.gz ZLFDHJKLQSYCPC-AUEPDCJTSA-N -1 0 519.682 6.117 50 30 KKEARM O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)cc(Br)c2[O-])c1 ZINC000001950874 551735134 /nfs/dbraw/zinc/73/51/34/551735134.db2.gz XSLBTOJNYIJBCL-BNWAJVQHSA-N -1 0 569.213 6.322 50 30 KKEARM O=[N+]([O-])c1ccc(/C=C/c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)cc1 ZINC000001952326 551735398 /nfs/dbraw/zinc/73/53/98/551735398.db2.gz MQMXYJUNASTDQB-JRXOJCEHSA-N -1 0 502.162 6.746 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000002113762 551768699 /nfs/dbraw/zinc/76/86/99/551768699.db2.gz NFUSLVBCZPEKII-LJOBNOHESA-N -1 0 516.619 6.201 50 30 KKEARM Cc1ccc(S(=O)(=O)Oc2ccc(C3C4=C(CCCC4=O)N(CCC(=O)[O-])C4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000002115429 551769295 /nfs/dbraw/zinc/76/92/95/551769295.db2.gz UWVGIRKZUFFCOL-UHFFFAOYSA-N -1 0 570.063 5.304 50 30 KKEARM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000002123939 551771483 /nfs/dbraw/zinc/77/14/83/551771483.db2.gz ZCJKNGZYKOXAFF-UHFFFAOYSA-N -1 0 560.485 5.245 50 30 KKEARM N#Cc1c2c(sc1/N=C/c1cc(Br)cc(Br)c1[O-])CN(Cc1ccccc1)CC2 ZINC000002186928 551788000 /nfs/dbraw/zinc/78/80/00/551788000.db2.gz QVBRHRLFFRLVFW-KBKYJPHKSA-N -1 0 531.273 6.159 50 30 KKEARM CCCCCCCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000002597789 552134674 /nfs/dbraw/zinc/13/46/74/552134674.db2.gz ZBHSWLQVOGLLRC-UHFFFAOYSA-N -1 0 546.520 8.017 50 30 KKEARM C=CCn1c([N-]S(=O)(=O)c2ccc3ccccc3c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002604339 552135182 /nfs/dbraw/zinc/13/51/82/552135182.db2.gz FVTKWFRJURDYOL-UHFFFAOYSA-N -1 0 568.680 5.866 50 30 KKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c([O-])c1Br ZINC000003114166 552290157 /nfs/dbraw/zinc/29/01/57/552290157.db2.gz UGBAQNMXQXYYND-OXUBWTJQSA-N -1 0 524.629 8.291 50 30 KKEARM C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003364194 552372694 /nfs/dbraw/zinc/37/26/94/552372694.db2.gz CAJKSNTUIZHDNL-UHFFFAOYSA-N -1 0 568.750 5.417 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000004209081 552449318 /nfs/dbraw/zinc/44/93/18/552449318.db2.gz UVXQJMZGNXQJPT-MFKUBSTISA-N -1 0 531.008 6.780 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000004405004 552459528 /nfs/dbraw/zinc/45/95/28/552459528.db2.gz ZDIIYOJEXWCIFY-MHZLTWQESA-N -1 0 591.670 7.218 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004618743 552469217 /nfs/dbraw/zinc/46/92/17/552469217.db2.gz VRQJMAFWZJYLJT-GHRAFVERSA-N -1 0 567.642 6.658 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000005355767 552498876 /nfs/dbraw/zinc/49/88/76/552498876.db2.gz PQNKSDPCPCKJGW-IBGZPJMESA-N -1 0 531.417 6.026 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005918999 552511968 /nfs/dbraw/zinc/51/19/68/552511968.db2.gz PDAYZJYLJWAXEU-HSZRJFAPSA-N -1 0 566.632 5.135 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005919032 552511973 /nfs/dbraw/zinc/51/19/73/552511973.db2.gz NDRQCXFLXLLRHD-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000005919120 552512276 /nfs/dbraw/zinc/51/22/76/552512276.db2.gz NFYUGKOCLDNTME-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005919094 552512300 /nfs/dbraw/zinc/51/23/00/552512300.db2.gz NDRQCXFLXLLRHD-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000005919752 552512447 /nfs/dbraw/zinc/51/24/47/552512447.db2.gz PULSUVPUEGLVNU-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000006146297 552548021 /nfs/dbraw/zinc/54/80/21/552548021.db2.gz PXMXLEFDGDFALP-UHFFFAOYSA-N -1 0 586.464 5.313 50 30 KKEARM COc1ccc(NC(=O)c2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000006146407 552548059 /nfs/dbraw/zinc/54/80/59/552548059.db2.gz WLFHQRIMRQCBNR-UHFFFAOYSA-N -1 0 570.587 5.727 50 30 KKEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146947 552548671 /nfs/dbraw/zinc/54/86/71/552548671.db2.gz SAZITVLTWRCPNO-UHFFFAOYSA-N -1 0 506.399 5.916 50 30 KKEARM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1OC ZINC000006906494 552978344 /nfs/dbraw/zinc/97/83/44/552978344.db2.gz GNZCPDIXWHWTFC-OVCLIPMQSA-N -1 0 536.176 5.292 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383393 552986478 /nfs/dbraw/zinc/98/64/78/552986478.db2.gz DJMZFFHPMDLWAK-MHZLTWQESA-N -1 0 610.116 8.166 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000008383939 552987996 /nfs/dbraw/zinc/98/79/96/552987996.db2.gz ZLAXZDUJHDQWKF-HMBFJWTHSA-N -1 0 619.493 7.132 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1O ZINC000008383977 552988265 /nfs/dbraw/zinc/98/82/65/552988265.db2.gz MXHGOAZWYOSURR-AREMUKBSSA-N -1 0 599.690 6.772 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccs3)s2)cc1 ZINC000008383967 552988272 /nfs/dbraw/zinc/98/82/72/552988272.db2.gz OEDOEQHUEWENLO-QFIPXVFZSA-N -1 0 545.667 6.729 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(N(C)C)cc3)s2)cc1 ZINC000008384023 552988709 /nfs/dbraw/zinc/98/87/09/552988709.db2.gz LOHKNIYOWYKEOM-AREMUKBSSA-N -1 0 582.707 6.734 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccccc3F)s2)cc1 ZINC000008384028 552988757 /nfs/dbraw/zinc/98/87/57/552988757.db2.gz YYJHFDVMNJONQW-XMMPIXPASA-N -1 0 557.628 6.807 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000008396379 552995378 /nfs/dbraw/zinc/99/53/78/552995378.db2.gz UNSUUDXGOSMJHH-UHFFFAOYSA-N -1 0 503.389 5.313 50 30 KKEARM O=c1c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008397532 552996890 /nfs/dbraw/zinc/99/68/90/552996890.db2.gz VELQTEBILFDDQX-XAYXJRQQSA-N -1 0 502.943 5.591 50 30 in-vitro KKEARM CCOC(=O)c1ccc(N=Nc2c(=O)n(-c3nc(-c4ccc(OC)cc4)cs3)[n-]c2-c2ccccc2)cc1 ZINC000008397672 552997359 /nfs/dbraw/zinc/99/73/59/552997359.db2.gz GGUAPNQVDXQDES-QCKNELIISA-N -1 0 525.590 5.214 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1 ZINC000008398456 552999194 /nfs/dbraw/zinc/99/91/94/552999194.db2.gz YWBSQZVHGIMFDY-SJIPCVTESA-N -1 0 505.525 6.356 50 30 KKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)sc2c1 ZINC000008398617 552999425 /nfs/dbraw/zinc/99/94/25/552999425.db2.gz PWGASSSKJKMEBA-BHGWPJFGSA-N -1 0 596.231 6.937 50 30 KKEARM COc1ccc(-c2cc(-c3ccc(C)cc3)c(C#N)c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)n2)cc1 ZINC000008416919 553012516 /nfs/dbraw/zinc/01/25/16/553012516.db2.gz JHTCDFKJOKMMJM-UHFFFAOYSA-N -1 0 622.732 5.926 50 30 KKEARM COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)cc1 ZINC000008416923 553012520 /nfs/dbraw/zinc/01/25/20/553012520.db2.gz XJTALLRFMBFZJO-UHFFFAOYSA-N -1 0 628.658 5.586 50 30 KKEARM CC(=Nc1ccc(Oc2ccc(Br)cc2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000008431289 553022728 /nfs/dbraw/zinc/02/27/28/553022728.db2.gz VBOPIFPTBWRUKK-AMVVHIIESA-N -1 0 573.394 7.490 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008440516 553037838 /nfs/dbraw/zinc/03/78/38/553037838.db2.gz ZTXAKGRTQNUERN-FQEVSTJZSA-N -1 0 528.428 5.571 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441169 553039744 /nfs/dbraw/zinc/03/97/44/553039744.db2.gz LWLPAUIRAUZKMA-QHCPKHFHSA-N -1 0 514.559 5.748 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441208 553039767 /nfs/dbraw/zinc/03/97/67/553039767.db2.gz MBNCAZUTZUXXGG-HSZRJFAPSA-N -1 0 604.507 7.122 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441157 553039776 /nfs/dbraw/zinc/03/97/76/553039776.db2.gz SXIYPSFKPVARNS-XMMPIXPASA-N -1 0 530.602 6.362 50 30 KKEARM CN(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441261 553040010 /nfs/dbraw/zinc/04/00/10/553040010.db2.gz ARVSIJGXLAEKBO-VWLOTQADSA-N -1 0 568.680 6.426 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441247 553040158 /nfs/dbraw/zinc/04/01/58/553040158.db2.gz ORCUAOFUEWDEEQ-SANMLTNESA-N -1 0 581.675 6.924 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O ZINC000008441228 553040190 /nfs/dbraw/zinc/04/01/90/553040190.db2.gz CEWZOBCUOPCKPA-RUZDIDTESA-N -1 0 585.663 6.464 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000008441652 553041465 /nfs/dbraw/zinc/04/14/65/553041465.db2.gz RIJJXMAWOOXCEI-HSZRJFAPSA-N -1 0 535.408 7.441 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441771 553042159 /nfs/dbraw/zinc/04/21/59/553042159.db2.gz NZLIELVKFCBAIA-HHHXNRCGSA-N -1 0 644.561 8.820 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441767 553042226 /nfs/dbraw/zinc/04/22/26/553042226.db2.gz GCZRIENQFRUBEI-MUUNZHRXSA-N -1 0 589.698 7.821 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000008441812 553042361 /nfs/dbraw/zinc/04/23/61/553042361.db2.gz OZHJIONCIYXNFC-DEOSSOPVSA-N -1 0 509.543 6.168 50 30 KKEARM COc1ccc(CN=Nc2cc(C)nc(-c3cc(Br)cc(Br)c3[O-])n2)cc1OC ZINC000008444956 553052702 /nfs/dbraw/zinc/05/27/02/553052702.db2.gz BXUJHMLYPZGLCZ-AUEPDCJTSA-N -1 0 522.197 5.146 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000008694693 553120445 /nfs/dbraw/zinc/12/04/45/553120445.db2.gz AZMDRZOIKIKHJG-FQEVSTJZSA-N -1 0 570.262 6.604 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836074 553162787 /nfs/dbraw/zinc/16/27/87/553162787.db2.gz YNVLOYNXWUTHNM-OAQYLSRUSA-N -1 0 508.571 5.674 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008836979 553163514 /nfs/dbraw/zinc/16/35/14/553163514.db2.gz ZTILVJQIJIKHJB-JOCHJYFZSA-N -1 0 518.547 5.166 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4C(F)(F)F)c3=O)n2)cc1 ZINC000008861114 553170244 /nfs/dbraw/zinc/17/02/44/553170244.db2.gz GXZRWPNMGIKABW-SJIPCVTESA-N -1 0 505.525 6.356 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934726 553192924 /nfs/dbraw/zinc/19/29/24/553192924.db2.gz FVUHTURHNCUVEY-JOCHJYFZSA-N -1 0 503.511 5.689 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973297 553195250 /nfs/dbraw/zinc/19/52/50/553195250.db2.gz VHJBLIGRVCVMDD-OAQYLSRUSA-N -1 0 511.386 6.395 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008973891 553195550 /nfs/dbraw/zinc/19/55/50/553195550.db2.gz MNJZZMLMSKRKET-JOCHJYFZSA-N -1 0 508.958 6.270 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009007609 553198102 /nfs/dbraw/zinc/19/81/02/553198102.db2.gz VOXLSTWCAFWPMI-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009007836 553198269 /nfs/dbraw/zinc/19/82/69/553198269.db2.gz QMYNPBTWXPFPNE-JOCHJYFZSA-N -1 0 506.967 5.750 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009040942 553202082 /nfs/dbraw/zinc/20/20/82/553202082.db2.gz GQHJIPYBIVURRG-QFIPXVFZSA-N -1 0 504.589 5.714 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009046050 553203515 /nfs/dbraw/zinc/20/35/15/553203515.db2.gz YMZZXLVYBKPAKQ-QFIPXVFZSA-N -1 0 508.958 6.270 50 30 KKEARM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009110856 553210102 /nfs/dbraw/zinc/21/01/02/553210102.db2.gz HDOFHGKQMCCXGV-OAQYLSRUSA-N -1 0 509.312 5.149 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009123126 553212370 /nfs/dbraw/zinc/21/23/70/553212370.db2.gz HHEKDULBEZRVQK-JOCHJYFZSA-N -1 0 517.519 5.005 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009123689 553212575 /nfs/dbraw/zinc/21/25/75/553212575.db2.gz SLGPIHUOXWEWRG-OAQYLSRUSA-N -1 0 511.386 6.395 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009173991 553215897 /nfs/dbraw/zinc/21/58/97/553215897.db2.gz UTLWXBHSWBFLEU-JOCHJYFZSA-N -1 0 506.898 5.208 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009173999 553216051 /nfs/dbraw/zinc/21/60/51/553216051.db2.gz UTLWXBHSWBFLEU-QFIPXVFZSA-N -1 0 506.898 5.208 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009185131 553216991 /nfs/dbraw/zinc/21/69/91/553216991.db2.gz MAWVTPXXPIUPOD-QFIPXVFZSA-N -1 0 502.523 5.313 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009234531 553224924 /nfs/dbraw/zinc/22/49/24/553224924.db2.gz HYCCZEJCHMLZRF-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccnc2)C1=C([O-])c1ccccc1 ZINC000009243815 553227124 /nfs/dbraw/zinc/22/71/24/553227124.db2.gz PXUUPWJANFPSLX-HXUWFJFHSA-N -1 0 504.568 5.147 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009302185 553236432 /nfs/dbraw/zinc/23/64/32/553236432.db2.gz KBMWURUEDLTKHI-OAQYLSRUSA-N -1 0 505.483 5.135 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009302129 553236436 /nfs/dbraw/zinc/23/64/36/553236436.db2.gz REFBCNZLLMWWFR-HSZRJFAPSA-N -1 0 504.514 5.922 50 30 KKEARM C=CCN1C(=O)S/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C1=O ZINC000009322172 553241490 /nfs/dbraw/zinc/24/14/90/553241490.db2.gz SWRPALBNCKVAGD-XDHOZWIPSA-N -1 0 518.385 5.347 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000009339558 553243472 /nfs/dbraw/zinc/24/34/72/553243472.db2.gz FKWFYUWAFAVQOD-SFHVURJKSA-N -1 0 500.935 5.204 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccco1 ZINC000009373749 553250501 /nfs/dbraw/zinc/25/05/01/553250501.db2.gz OCVSHOGNUFZFGR-LJQANCHMSA-N -1 0 509.540 5.051 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000009374326 553250665 /nfs/dbraw/zinc/25/06/65/553250665.db2.gz JOMQWWATBPFASO-IBGZPJMESA-N -1 0 508.556 5.049 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009374259 553250696 /nfs/dbraw/zinc/25/06/96/553250696.db2.gz CTBCQTAEALPDIT-YDJIHCHBSA-N -1 0 512.743 5.427 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1cccs1 ZINC000009373841 553250749 /nfs/dbraw/zinc/25/07/49/553250749.db2.gz YHIDIAMJVYLXOV-IBGZPJMESA-N -1 0 507.618 5.380 50 30 KKEARM COc1ccc(Cn2c([N-]S(=O)(=O)c3ccc4ccccc4c3)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000009403421 553255338 /nfs/dbraw/zinc/25/53/38/553255338.db2.gz SYAASIYZULWTCG-UHFFFAOYSA-N -1 0 519.586 5.467 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463626 553269130 /nfs/dbraw/zinc/26/91/30/553269130.db2.gz WXNXDQNVKMUPCX-DEOSSOPVSA-N -1 0 500.551 5.953 50 30 KKEARM CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009777544 553306768 /nfs/dbraw/zinc/30/67/68/553306768.db2.gz LOHXNRBXGGMCRL-MKNVGELUSA-N -1 0 510.443 5.858 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000012403919 553362969 /nfs/dbraw/zinc/36/29/69/553362969.db2.gz WCFPFJPBLIWEDS-JLPGSUDCSA-N -1 0 509.762 5.869 50 30 KKEARM COc1cccc(CON=CNC([O-])=C(c2ccc(Cl)cc2)c2nc3ccccc3nc2C(F)(F)F)c1 ZINC000012952914 553428961 /nfs/dbraw/zinc/42/89/61/553428961.db2.gz QOQIJQMCFZBHNM-JOCHJYFZSA-N -1 0 528.918 5.719 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccccc3Cl)C(=O)C(=O)N2c2ccc(C#N)c(Cl)c2)cc1 ZINC000013129387 553450591 /nfs/dbraw/zinc/45/05/91/553450591.db2.gz AXJJRCXAHWKWRN-QFIPXVFZSA-N -1 0 507.329 5.435 50 30 KKEARM Cc1ccc2c(c1)N[C@@H](c1cc(Br)c([O-])c(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000014007715 553499051 /nfs/dbraw/zinc/49/90/51/553499051.db2.gz VKFWVFPKJFLPAJ-FQEVSTJZSA-N -1 0 506.238 6.448 50 30 KKEARM CC(C)c1ccc(Nc2nc([N-]N=C3c4ccccc4NC3=O)nc(Nc3ccc(C(C)C)cc3)n2)cc1 ZINC000014257380 553506684 /nfs/dbraw/zinc/50/66/84/553506684.db2.gz CWXQMFYVPLAJLK-UHFFFAOYSA-N -1 0 506.614 6.374 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016729875 553575956 /nfs/dbraw/zinc/57/59/56/553575956.db2.gz LYIQGLQVQNPWEY-NRFANRHFSA-N -1 0 524.570 5.339 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000016730269 553576479 /nfs/dbraw/zinc/57/64/79/553576479.db2.gz BMQCETMJVAMGAN-NRFANRHFSA-N -1 0 524.570 5.339 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016741270 553579717 /nfs/dbraw/zinc/57/97/17/553579717.db2.gz MCHLAJUFQGKVPJ-XMMPIXPASA-N -1 0 500.551 5.953 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccncc3)s2)cc1 ZINC000016749907 553580710 /nfs/dbraw/zinc/58/07/10/553580710.db2.gz KPCHFQAKDVFUQS-OAQYLSRUSA-N -1 0 518.595 5.456 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000016805387 553582825 /nfs/dbraw/zinc/58/28/25/553582825.db2.gz LBZQONRAOMYBRJ-FQEVSTJZSA-N -1 0 510.518 5.164 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198762 553609650 /nfs/dbraw/zinc/60/96/50/553609650.db2.gz QACWRDZMSWBERK-CRICUBBOSA-N -1 0 516.022 6.552 50 30 KKEARM CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018198594 553609652 /nfs/dbraw/zinc/60/96/52/553609652.db2.gz MVFXBVXXJBGAOF-XHCCPWGMSA-N -1 0 525.630 6.297 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccc(C(=O)[O-])cc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000018198633 553609674 /nfs/dbraw/zinc/60/96/74/553609674.db2.gz XRRATVUXOKDZQE-XHCCPWGMSA-N -1 0 515.562 5.377 50 30 KKEARM Cc1ccsc1[C@H]1c2c(C)nn(-c3ccccc3C(=O)[O-])c2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018198847 553609677 /nfs/dbraw/zinc/60/96/77/553609677.db2.gz OXBLUTFLCWGJFT-GYCJOSAFSA-N -1 0 501.633 6.269 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070697635 553613039 /nfs/dbraw/zinc/61/30/39/553613039.db2.gz CHMTXOPXGPSBSU-BRAGAWASSA-N -1 0 542.804 8.991 50 30 biogenic KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](Oc5ccccc5C(=O)[O-])CC[C@]43C)[C@@H]2C1 ZINC000070698745 553614962 /nfs/dbraw/zinc/61/49/62/553614962.db2.gz LNZWDWPFTHLSHQ-JSJHVWCISA-N -1 0 604.828 8.286 50 30 biogenic KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000072188215 553645580 /nfs/dbraw/zinc/64/55/80/553645580.db2.gz XZDPHIGQWQWYRC-GHRAFVERSA-N -1 0 590.642 7.768 50 30 KKEARM CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](O[C@@H](C)C(=O)[O-])[C@@H]1OC(C)=O ZINC000085867429 553687943 /nfs/dbraw/zinc/68/79/43/553687943.db2.gz PDZXTOLVIHFLGP-PHINISEZSA-N -1 0 690.919 6.601 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201998 553700786 /nfs/dbraw/zinc/70/07/86/553700786.db2.gz AHEYHUBOBSDHSD-XMMPIXPASA-N -1 0 512.603 5.569 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097940008 553763312 /nfs/dbraw/zinc/76/33/12/553763312.db2.gz NDCFZRYTJPPKGU-VKGTZQKMSA-N -1 0 590.654 5.744 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000097947145 553784183 /nfs/dbraw/zinc/78/41/83/553784183.db2.gz MHRDFAOOZDADJR-MOHJPFBDSA-N -1 0 533.675 5.950 50 30 KKEARM CC(C)(C)c1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000097947951 553790004 /nfs/dbraw/zinc/79/00/04/553790004.db2.gz PNNVCVLIIPERJT-LJAQVGFWSA-N -1 0 546.708 6.995 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000097951675 553810576 /nfs/dbraw/zinc/81/05/76/553810576.db2.gz WQQFUUGCAOKPIB-HXUWFJFHSA-N -1 0 536.731 6.904 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952210 553813868 /nfs/dbraw/zinc/81/38/68/553813868.db2.gz BCQHHVRTVGSKDP-DEOSSOPVSA-N -1 0 527.558 5.722 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097952992 553818452 /nfs/dbraw/zinc/81/84/52/553818452.db2.gz XKAMXTAFKOLHOE-QHCPKHFHSA-N -1 0 534.977 5.512 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955058 553827829 /nfs/dbraw/zinc/82/78/29/553827829.db2.gz COHFWDCMQFYUEK-JCQPUDPBSA-N -1 0 537.424 6.709 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955054 553827858 /nfs/dbraw/zinc/82/78/58/553827858.db2.gz OUFQQDVSJKWBMO-YEBMWUKDSA-N -1 0 549.004 5.770 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955055 553828056 /nfs/dbraw/zinc/82/80/56/553828056.db2.gz OUFQQDVSJKWBMO-RKNYENMMSA-N -1 0 549.004 5.770 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097955144 553829102 /nfs/dbraw/zinc/82/91/02/553829102.db2.gz QUUDKXHWTWMLFU-ASSNKEHSSA-N -1 0 539.009 5.388 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000027522639 553829337 /nfs/dbraw/zinc/82/93/37/553829337.db2.gz GVGKTGGIMJBGKV-ZKLRHWBXSA-N -1 0 511.962 5.338 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955188 553829370 /nfs/dbraw/zinc/82/93/70/553829370.db2.gz BLHXTJOJBYSLCF-PWECECGKSA-N -1 0 576.602 5.568 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955582 553831707 /nfs/dbraw/zinc/83/17/07/553831707.db2.gz HDNDGWQOVSGFGA-SHACYNPGSA-N -1 0 544.560 5.328 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000097955739 553833574 /nfs/dbraw/zinc/83/35/74/553833574.db2.gz UPOYRDYLGPRMFH-FPTDNZKUSA-N -1 0 534.565 5.040 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc(C)ccc3C)C(=O)C(=O)N2c2nccs2)cc(Br)c1O ZINC000027662440 553836178 /nfs/dbraw/zinc/83/61/78/553836178.db2.gz IERPDQFZFPZHBQ-SFHVURJKSA-N -1 0 515.385 5.020 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956684 553840736 /nfs/dbraw/zinc/84/07/36/553840736.db2.gz SRKJITHEVDWILF-JBEBIEQOSA-N -1 0 543.557 5.319 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956782 553841881 /nfs/dbraw/zinc/84/18/81/553841881.db2.gz NTXBNJNJSYHNIM-RUZDIDTESA-N -1 0 570.623 6.130 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097956825 553842116 /nfs/dbraw/zinc/84/21/16/553842116.db2.gz VETQKCVQEQHDMR-FQEVSTJZSA-N -1 0 526.998 5.382 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000097957275 553845200 /nfs/dbraw/zinc/84/52/00/553845200.db2.gz DQZCUQJUXKWZEE-UUWRZZSWSA-N -1 0 606.848 8.746 50 30 KKEARM Cc1[n-]n(-c2ncc(-c3ccc(Cl)cc3)s2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000097958691 553856835 /nfs/dbraw/zinc/85/68/35/553856835.db2.gz GSVVBFLNMKPVQP-XYGWBWBKSA-N -1 0 632.563 6.942 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000097959557 553864594 /nfs/dbraw/zinc/86/45/94/553864594.db2.gz OATGOSSUJAIXQQ-QITZVISUSA-N -1 0 567.461 6.034 50 30 KKEARM CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097959633 553865191 /nfs/dbraw/zinc/86/51/91/553865191.db2.gz UQUABZFOFDQRJW-BIYZXWMOSA-N -1 0 603.550 5.278 50 30 KKEARM N#Cc1ccccc1COc1c(Br)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000097960517 553871970 /nfs/dbraw/zinc/87/19/70/553871970.db2.gz OSDRZUUHJAFEAB-OCKHKDLRSA-N -1 0 660.116 6.931 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000097960918 553874378 /nfs/dbraw/zinc/87/43/78/553874378.db2.gz AZCKAXLTSWFKAM-WSDLNYQXSA-N -1 0 571.457 7.120 50 30 KKEARM O=C(Nc1ccccc1)C(=O)Nc1c(Cl)ncnc1Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000097965397 553904518 /nfs/dbraw/zinc/90/45/18/553904518.db2.gz DLCJJXSTEKHYSJ-XKJRVUDJSA-N -1 0 555.809 6.214 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966911 553911955 /nfs/dbraw/zinc/91/19/55/553911955.db2.gz KKOGUFSYQHZRAV-OAQYLSRUSA-N -1 0 555.837 6.504 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097967244 553915850 /nfs/dbraw/zinc/91/58/50/553915850.db2.gz NKPWOKYVJKSXCO-NDEPHWFRSA-N -1 0 628.703 6.316 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967277 553916349 /nfs/dbraw/zinc/91/63/49/553916349.db2.gz UGGMAUWYQQHSKB-PWECECGKSA-N -1 0 581.477 7.108 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967275 553916415 /nfs/dbraw/zinc/91/64/15/553916415.db2.gz UGGMAUWYQQHSKB-HWRSSNJWSA-N -1 0 581.477 7.108 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967445 553918400 /nfs/dbraw/zinc/91/84/00/553918400.db2.gz GAAUQLCHNSTAKL-CRICUBBOSA-N -1 0 599.690 5.723 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967541 553919823 /nfs/dbraw/zinc/91/98/23/553919823.db2.gz HISILXPXQOTWLV-PRAQEBQASA-N -1 0 692.259 8.168 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967557 553920112 /nfs/dbraw/zinc/92/01/12/553920112.db2.gz OTNJAPKMFWJVKA-OYLFLEFRSA-N -1 0 610.544 7.244 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967579 553920618 /nfs/dbraw/zinc/92/06/18/553920618.db2.gz XQHJSVUEZFVOCF-HSZRJFAPSA-N -1 0 579.428 5.622 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967656 553921458 /nfs/dbraw/zinc/92/14/58/553921458.db2.gz LDSHWEMHPXUUEP-MUUNZHRXSA-N -1 0 597.048 7.296 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967688 553921756 /nfs/dbraw/zinc/92/17/56/553921756.db2.gz DHPUARWSFKWTAH-GELPCWRISA-N -1 0 741.891 9.068 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967714 553922186 /nfs/dbraw/zinc/92/21/86/553922186.db2.gz IVAWWMRPLKQKHB-CBZJRKILSA-N -1 0 569.639 5.540 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967723 553922258 /nfs/dbraw/zinc/92/22/58/553922258.db2.gz SEAMEGNRXCRTEQ-BGOLNKOXSA-N -1 0 682.223 8.169 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967785 553922976 /nfs/dbraw/zinc/92/29/76/553922976.db2.gz JEASGVFSLTVXFZ-JBEBIEQOSA-N -1 0 577.456 6.174 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000097967768 553923187 /nfs/dbraw/zinc/92/31/87/553923187.db2.gz FTASXGOZOJOBOQ-DEOSSOPVSA-N -1 0 555.612 5.303 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967810 553923549 /nfs/dbraw/zinc/92/35/49/553923549.db2.gz NJEQMFHQUVQSEO-LBEKAKSKSA-N -1 0 619.139 7.490 50 30 KKEARM O=C([N-]C1CCCCC1)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000033353313 553924349 /nfs/dbraw/zinc/92/43/49/553924349.db2.gz ISCZNBWWHGRPCR-WPRPVWTQSA-N -1 0 577.231 6.308 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967885 553924404 /nfs/dbraw/zinc/92/44/04/553924404.db2.gz BDZGZRFQZVAHME-OWJWWREXSA-N -1 0 594.089 6.729 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097967861 553924513 /nfs/dbraw/zinc/92/45/13/553924513.db2.gz YZHRGZGIQPSKNI-SSEXGKCCSA-N -1 0 691.803 7.347 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097967935 553925397 /nfs/dbraw/zinc/92/53/97/553925397.db2.gz AFOXEIVBKBJSFA-LMKMVOKYSA-N -1 0 589.670 6.084 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967956 553925642 /nfs/dbraw/zinc/92/56/42/553925642.db2.gz WNGCIBPDCBYSNF-YRVHBCJASA-N -1 0 710.661 8.207 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968005 553926088 /nfs/dbraw/zinc/92/60/88/553926088.db2.gz HZWRYUDSHZSEDL-HHHXNRCGSA-N -1 0 633.723 6.703 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968031 553926628 /nfs/dbraw/zinc/92/66/28/553926628.db2.gz GBTDCAFMQJHMCW-AREMUKBSSA-N -1 0 601.706 6.092 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968017 553926681 /nfs/dbraw/zinc/92/66/81/553926681.db2.gz RGPSHWFMFVTCSE-HHHXNRCGSA-N -1 0 650.178 7.217 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097968043 553926687 /nfs/dbraw/zinc/92/66/87/553926687.db2.gz QGCRIZAFTMFGDU-PMERELPUSA-N -1 0 673.813 7.208 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968084 553927329 /nfs/dbraw/zinc/92/73/29/553927329.db2.gz GXUYAEXIFBNZOC-XMMPIXPASA-N -1 0 619.652 5.310 50 30 KKEARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc1 ZINC000033353943 553927554 /nfs/dbraw/zinc/92/75/54/553927554.db2.gz ZTGIFHQWVOURTF-UHFFFAOYSA-N -1 0 619.438 5.149 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968113 553927936 /nfs/dbraw/zinc/92/79/36/553927936.db2.gz HXHSDIFZHHDOHX-HSZRJFAPSA-N -1 0 596.061 6.177 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968141 553928494 /nfs/dbraw/zinc/92/84/94/553928494.db2.gz MYZDVXFCBJTFIY-IZHWHUGBSA-N -1 0 592.098 6.296 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097968178 553928774 /nfs/dbraw/zinc/92/87/74/553928774.db2.gz HIZSXTNZVKOJRJ-JGCGQSQUSA-N -1 0 728.248 8.016 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968182 553928875 /nfs/dbraw/zinc/92/88/75/553928875.db2.gz DBDHCLCTCOWZAG-HHHXNRCGSA-N -1 0 684.623 7.870 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968215 553929074 /nfs/dbraw/zinc/92/90/74/553929074.db2.gz WOMQDJRIBDVRQM-QHCPKHFHSA-N -1 0 596.061 6.177 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097968209 553929080 /nfs/dbraw/zinc/92/90/80/553929080.db2.gz ZKVPKAHBVFMIKX-XIFFEERXSA-N -1 0 709.846 8.115 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968222 553929101 /nfs/dbraw/zinc/92/91/01/553929101.db2.gz RCAYTNWITBUXLI-MUUNZHRXSA-N -1 0 645.759 6.490 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968207 553929151 /nfs/dbraw/zinc/92/91/51/553929151.db2.gz XQNQBDHOGDXKDD-LJAQVGFWSA-N -1 0 659.786 6.962 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968249 553929487 /nfs/dbraw/zinc/92/94/87/553929487.db2.gz AFARTXWHXQXXBD-VWLOTQADSA-N -1 0 605.669 5.922 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968252 553929672 /nfs/dbraw/zinc/92/96/72/553929672.db2.gz CLDHMVNPAOCHKK-RUZDIDTESA-N -1 0 656.569 7.090 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097968329 553930758 /nfs/dbraw/zinc/93/07/58/553930758.db2.gz GFBSCROUDFEXJT-RUZDIDTESA-N -1 0 562.644 5.633 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968375 553931269 /nfs/dbraw/zinc/93/12/69/553931269.db2.gz WJOFJUSIWLHHAV-HZAQMHFWSA-N -1 0 726.704 8.821 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968378 553931293 /nfs/dbraw/zinc/93/12/93/553931293.db2.gz NMRUTGQHEPNSQZ-VWLOTQADSA-N -1 0 562.644 5.777 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968372 553931326 /nfs/dbraw/zinc/93/13/26/553931326.db2.gz MQEBWPUPNLLRBK-MHZLTWQESA-N -1 0 611.676 6.677 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968425 553932389 /nfs/dbraw/zinc/93/23/89/553932389.db2.gz PNPNKUAJISYFDB-QHCPKHFHSA-N -1 0 596.061 6.177 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968433 553932489 /nfs/dbraw/zinc/93/24/89/553932489.db2.gz GINNWSRVJHVZAN-MHZLTWQESA-N -1 0 613.717 6.258 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968429 553932497 /nfs/dbraw/zinc/93/24/97/553932497.db2.gz YYZRVLLJEAUDTB-LJAQVGFWSA-N -1 0 643.787 7.262 50 30 KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000097968814 553934577 /nfs/dbraw/zinc/93/45/77/553934577.db2.gz YEDTXANEJQRYDX-UHFFFAOYSA-N -1 0 504.656 6.914 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969136 553936852 /nfs/dbraw/zinc/93/68/52/553936852.db2.gz DJXHQYVHANNUIN-IZHWHUGBSA-N -1 0 594.089 6.729 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969158 553937427 /nfs/dbraw/zinc/93/74/27/553937427.db2.gz VHZWXNNUDXQQAB-BSEYFRJRSA-N -1 0 551.451 7.018 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969171 553937501 /nfs/dbraw/zinc/93/75/01/553937501.db2.gz IRKSMRLZNNHUNP-IIMAJNMQSA-N -1 0 657.814 7.433 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969265 553938667 /nfs/dbraw/zinc/93/86/67/553938667.db2.gz FLXMOMVRKGMXGF-PBBNMVCDSA-N -1 0 627.788 7.506 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969249 553938769 /nfs/dbraw/zinc/93/87/69/553938769.db2.gz ZBUKCLLNIIMZIB-VOIUYBSRSA-N -1 0 576.099 6.590 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969258 553938790 /nfs/dbraw/zinc/93/87/90/553938790.db2.gz MNGCOQPBUCRPPY-DHYKOVJISA-N -1 0 709.821 8.054 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969257 553938796 /nfs/dbraw/zinc/93/87/96/553938796.db2.gz MNGCOQPBUCRPPY-KATKFWMUSA-N -1 0 709.821 8.054 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969294 553939423 /nfs/dbraw/zinc/93/94/23/553939423.db2.gz WUUBQBIYFDFACY-MMTVBGGISA-N -1 0 613.761 7.116 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969320 553939601 /nfs/dbraw/zinc/93/96/01/553939601.db2.gz UFPNYWSDGXRUHU-JGCGQSQUSA-N -1 0 660.748 8.091 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969374 553940456 /nfs/dbraw/zinc/94/04/56/553940456.db2.gz MRZKAZSVTBFZQT-WHLCRQNOSA-N -1 0 648.206 7.769 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969569 553942629 /nfs/dbraw/zinc/94/26/29/553942629.db2.gz IBAIQAWMZWEAJZ-COOREUGTSA-N -1 0 697.838 8.669 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969570 553942693 /nfs/dbraw/zinc/94/26/93/553942693.db2.gz IBAIQAWMZWEAJZ-AOXBRHMESA-N -1 0 697.838 8.669 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969611 553942976 /nfs/dbraw/zinc/94/29/76/553942976.db2.gz GHLYONRGFSKFJU-MHZLTWQESA-N -1 0 634.707 5.926 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC)c2)nc1C ZINC000097969640 553943387 /nfs/dbraw/zinc/94/33/87/553943387.db2.gz BSCVITUIORJHOX-DEOSSOPVSA-N -1 0 576.627 5.137 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000097969719 553944077 /nfs/dbraw/zinc/94/40/77/553944077.db2.gz NHBWAXIXIVDWAL-VWLOTQADSA-N -1 0 590.654 5.527 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097969803 553944997 /nfs/dbraw/zinc/94/49/97/553944997.db2.gz UCCKLFPPYMMVCR-VWLOTQADSA-N -1 0 572.614 6.048 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969799 553945027 /nfs/dbraw/zinc/94/50/27/553945027.db2.gz AMHBIEZHIKSDKD-WENCNXQZSA-N -1 0 675.804 7.653 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969782 553945075 /nfs/dbraw/zinc/94/50/75/553945075.db2.gz MURYTZLSDOZNHE-PVAZPRTOSA-N -1 0 677.848 8.515 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969825 553945471 /nfs/dbraw/zinc/94/54/71/553945471.db2.gz OWHLHBIBEKTIQW-WGDIFIGCSA-N -1 0 620.152 6.989 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969829 553945594 /nfs/dbraw/zinc/94/55/94/553945594.db2.gz DXDSHLHFSQDNSQ-XRHLQHRESA-N -1 0 617.724 6.865 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969925 553946913 /nfs/dbraw/zinc/94/69/13/553946913.db2.gz FGLZXLOMFNFYIO-HKBQPEDESA-N -1 0 655.128 7.482 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969950 553947386 /nfs/dbraw/zinc/94/73/86/553947386.db2.gz WAMPXBLPDXESLM-GDLZYMKVSA-N -1 0 592.629 6.651 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970018 553948168 /nfs/dbraw/zinc/94/81/68/553948168.db2.gz WVGIFWNHSUAYPB-GDLZYMKVSA-N -1 0 640.714 6.482 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970070 553949012 /nfs/dbraw/zinc/94/90/12/553949012.db2.gz SBZKPZYBOOEQJZ-VWLOTQADSA-N -1 0 592.670 5.751 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970089 553949565 /nfs/dbraw/zinc/94/95/65/553949565.db2.gz ZNGDINUGIZESKQ-ADXZGYQBSA-N -1 0 649.750 6.877 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970086 553949639 /nfs/dbraw/zinc/94/96/39/553949639.db2.gz ZNGDINUGIZESKQ-XBBWARJSSA-N -1 0 649.750 6.877 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970113 553949648 /nfs/dbraw/zinc/94/96/48/553949648.db2.gz XTZZZZDKMWQPDM-XRHLQHRESA-N -1 0 617.724 6.865 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970124 553949912 /nfs/dbraw/zinc/94/99/12/553949912.db2.gz DEDRDSFMKAOMOW-XHCCPWGMSA-N -1 0 599.734 6.644 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970162 553950394 /nfs/dbraw/zinc/95/03/94/553950394.db2.gz VKGAEKLAXDFNPT-ROTAYESASA-N -1 0 689.831 7.899 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970151 553950469 /nfs/dbraw/zinc/95/04/69/553950469.db2.gz MTKXQTKARLKASV-JMQGSBJISA-N -1 0 647.750 6.873 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970296 553952036 /nfs/dbraw/zinc/95/20/36/553952036.db2.gz CYHPWIIOKUJGLE-WYOOIXGGSA-N -1 0 691.831 7.914 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970407 553953654 /nfs/dbraw/zinc/95/36/54/553953654.db2.gz KZIHFEIHDFKNLJ-JRPXNJEYSA-N -1 0 657.814 7.514 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970406 553953756 /nfs/dbraw/zinc/95/37/56/553953756.db2.gz KZIHFEIHDFKNLJ-URAOTHONSA-N -1 0 657.814 7.514 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097970506 553954969 /nfs/dbraw/zinc/95/49/69/553954969.db2.gz KMFMJBVZHCWPCZ-MUUNZHRXSA-N -1 0 642.686 5.770 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970541 553955593 /nfs/dbraw/zinc/95/55/93/553955593.db2.gz NEXGSQATWVFRKW-ACSYHNTCSA-N -1 0 643.787 7.043 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970547 553955642 /nfs/dbraw/zinc/95/56/42/553955642.db2.gz PLFISMGMIUOJHY-AREMUKBSSA-N -1 0 574.611 5.266 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970564 553955834 /nfs/dbraw/zinc/95/58/34/553955834.db2.gz GZRSESOBCJBNCF-ROTAYESASA-N -1 0 706.286 8.558 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970614 553956417 /nfs/dbraw/zinc/95/64/17/553956417.db2.gz QOUZDBZMIDPHES-MYUZEXMDSA-N -1 0 620.724 6.312 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970667 553957246 /nfs/dbraw/zinc/95/72/46/553957246.db2.gz AAKXMQAMMXKXDO-LJAQVGFWSA-N -1 0 616.692 6.437 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970679 553957520 /nfs/dbraw/zinc/95/75/20/553957520.db2.gz NXRVYOJURONNTG-CLYVBNDRSA-N -1 0 615.708 6.641 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970716 553957802 /nfs/dbraw/zinc/95/78/02/553957802.db2.gz SIVQTGCMDKITIU-NGOKVRLYSA-N -1 0 613.761 7.034 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970720 553958040 /nfs/dbraw/zinc/95/80/40/553958040.db2.gz IETXFNQHGFZMEB-ROTAYESASA-N -1 0 706.286 8.414 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970931 553959622 /nfs/dbraw/zinc/95/96/22/553959622.db2.gz KHMSAIUTQMDMLV-NDEPHWFRSA-N -1 0 628.703 6.403 50 30 KKEARM CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(=O)cc([O-])c3c(O)c(O)c(-c4ccc(O)c(O)c4)oc2-3)cc1 ZINC000097972080 553965556 /nfs/dbraw/zinc/96/55/56/553965556.db2.gz QBADFSSFGJPFOP-JOCHJYFZSA-N -1 0 592.641 6.422 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(=O)cc([O-])c3c(O)c(O)c(-c4ccc(O)c(O)c4)oc2-3)cc1 ZINC000097972081 553965680 /nfs/dbraw/zinc/96/56/80/553965680.db2.gz QBADFSSFGJPFOP-QFIPXVFZSA-N -1 0 592.641 6.422 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1 ZINC000097972103 553966088 /nfs/dbraw/zinc/96/60/88/553966088.db2.gz WJWXFUULJQRTHL-LJAQVGFWSA-N -1 0 612.767 6.907 50 30 biogenic KKEARM COc1ccc(C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000097977028 553973662 /nfs/dbraw/zinc/97/36/62/553973662.db2.gz BCZXJCUWBBTIAH-UHFFFAOYSA-N -1 0 533.231 6.526 50 30 KKEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccc(OCC)cc2)cc1 ZINC000097990097 554028154 /nfs/dbraw/zinc/02/81/54/554028154.db2.gz WSXUUFNOOYYNNH-UHFFFAOYSA-N -1 0 614.775 5.118 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000097997100 554039488 /nfs/dbraw/zinc/03/94/88/554039488.db2.gz JWVDEHSKXUWDJJ-JJKYIXSRSA-N -1 0 522.417 6.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000097997087 554039495 /nfs/dbraw/zinc/03/94/95/554039495.db2.gz DLPHXYJBMGRPSA-WMMMYUQOSA-N -1 0 567.414 6.253 50 30 KKEARM O=c1c(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000097997147 554039942 /nfs/dbraw/zinc/03/99/42/554039942.db2.gz CRBRDMDQLHCDEW-QUPMIFSKSA-N -1 0 537.388 6.244 50 30 KKEARM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=Nc3ccc(C)cc3)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000098005853 554059168 /nfs/dbraw/zinc/05/91/68/554059168.db2.gz UXOAJFOTIQOIJS-GDLZYMKVSA-N -1 0 557.603 5.689 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000035958487 554108072 /nfs/dbraw/zinc/10/80/72/554108072.db2.gz ORPNVZUSOCPRDW-SHPJIYQWSA-N -1 0 609.542 7.528 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098046349 554137890 /nfs/dbraw/zinc/13/78/90/554137890.db2.gz ORGHLBVVKYEQGC-HSZRJFAPSA-N -1 0 565.047 6.104 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046442 554139029 /nfs/dbraw/zinc/13/90/29/554139029.db2.gz CHSCVLUOOCISRL-RUZDIDTESA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098046456 554139302 /nfs/dbraw/zinc/13/93/02/554139302.db2.gz UOWCWSBBVQFKHP-RUZDIDTESA-N -1 0 636.593 7.555 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046458 554139493 /nfs/dbraw/zinc/13/94/93/554139493.db2.gz ZRBUZNOTBQPFLT-RUZDIDTESA-N -1 0 626.587 8.099 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046493 554139809 /nfs/dbraw/zinc/13/98/09/554139809.db2.gz UXTFAYKPPMMVNU-PMERELPUSA-N -1 0 669.756 7.349 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000098046511 554139825 /nfs/dbraw/zinc/13/98/25/554139825.db2.gz HFQVYDGFSMIGAH-SANMLTNESA-N -1 0 708.587 7.391 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046491 554139992 /nfs/dbraw/zinc/13/99/92/554139992.db2.gz PYEFWAUTOVLGCH-DEOSSOPVSA-N -1 0 612.104 6.813 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046543 554140275 /nfs/dbraw/zinc/14/02/75/554140275.db2.gz YQSWMJVEXHMOSJ-GDLZYMKVSA-N -1 0 659.761 8.076 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046529 554140319 /nfs/dbraw/zinc/14/03/19/554140319.db2.gz CAYMKLVWFMEVCS-AREMUKBSSA-N -1 0 616.120 7.578 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Br)c2)s1 ZINC000098046677 554142401 /nfs/dbraw/zinc/14/24/01/554142401.db2.gz XRRNHWWTPCOJSK-XMMPIXPASA-N -1 0 576.472 6.279 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046848 554144385 /nfs/dbraw/zinc/14/43/85/554144385.db2.gz XCOOUSFNTAVADR-HSZRJFAPSA-N -1 0 563.632 5.770 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098046849 554144456 /nfs/dbraw/zinc/14/44/56/554144456.db2.gz XCOOUSFNTAVADR-QHCPKHFHSA-N -1 0 563.632 5.770 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000098047050 554145978 /nfs/dbraw/zinc/14/59/78/554145978.db2.gz XOTCKXSCVGPBTK-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098047049 554146170 /nfs/dbraw/zinc/14/61/70/554146170.db2.gz FVFLRWUYBGXMDM-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccco2)cc1F ZINC000098047264 554148472 /nfs/dbraw/zinc/14/84/72/554148472.db2.gz HWVCZUMFYDRSII-DEOSSOPVSA-N -1 0 573.627 6.507 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047379 554150179 /nfs/dbraw/zinc/15/01/79/554150179.db2.gz HWZZRCJBABNDPG-VWLOTQADSA-N -1 0 592.142 7.446 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccs2)cc1F ZINC000098047392 554150484 /nfs/dbraw/zinc/15/04/84/554150484.db2.gz KMWQOFWZFBCZLI-HXUWFJFHSA-N -1 0 523.636 6.122 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047411 554150529 /nfs/dbraw/zinc/15/05/29/554150529.db2.gz VKVLTUICXKWTJV-PMERELPUSA-N -1 0 643.831 8.361 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047407 554150631 /nfs/dbraw/zinc/15/06/31/554150631.db2.gz KZTSRKMUBCXLGF-NDEPHWFRSA-N -1 0 620.768 7.405 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1 ZINC000098047409 554150644 /nfs/dbraw/zinc/15/06/44/554150644.db2.gz HAWOPXIWATYVCJ-LJAQVGFWSA-N -1 0 634.795 7.795 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047428 554150876 /nfs/dbraw/zinc/15/08/76/554150876.db2.gz JPOVYJNPCMYYQF-GDLZYMKVSA-N -1 0 664.249 8.625 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047449 554150893 /nfs/dbraw/zinc/15/08/93/554150893.db2.gz ALUXRDYSFCUACS-LJAQVGFWSA-N -1 0 661.777 7.505 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098047422 554150946 /nfs/dbraw/zinc/15/09/46/554150946.db2.gz PBMXAJSUUXQDBA-SSEXGKCCSA-N -1 0 661.821 8.500 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047450 554151418 /nfs/dbraw/zinc/15/14/18/554151418.db2.gz UGEMIUZOVBSZDM-GDLZYMKVSA-N -1 0 645.803 7.508 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047467 554151438 /nfs/dbraw/zinc/15/14/38/554151438.db2.gz BSGQBJRBKLSKTH-YTTGMZPUSA-N -1 0 698.266 9.025 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047459 554151469 /nfs/dbraw/zinc/15/14/69/554151469.db2.gz GKQDXKKZQAVGFU-NDEPHWFRSA-N -1 0 627.694 7.992 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047538 554152250 /nfs/dbraw/zinc/15/22/50/554152250.db2.gz ZAAKNRNBOLDEDW-MUUNZHRXSA-N -1 0 644.149 8.507 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047549 554152720 /nfs/dbraw/zinc/15/27/20/554152720.db2.gz MXBWJXHAUYDPMY-MGBGTMOVSA-N -1 0 701.911 9.150 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC ZINC000098047555 554152745 /nfs/dbraw/zinc/15/27/45/554152745.db2.gz BGBCRJQSCLMQOD-WJOKGBTCSA-N -1 0 678.848 8.194 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047587 554153082 /nfs/dbraw/zinc/15/30/82/554153082.db2.gz CJSYEGQWQJGPOG-WJOKGBTCSA-N -1 0 708.302 9.023 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047577 554153132 /nfs/dbraw/zinc/15/31/32/554153132.db2.gz VYYJYGIPNDIVSW-MGBGTMOVSA-N -1 0 719.901 9.289 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047601 554153350 /nfs/dbraw/zinc/15/33/50/554153350.db2.gz FXPKIFNQBLOIJL-RUZDIDTESA-N -1 0 637.139 7.354 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047627 554153385 /nfs/dbraw/zinc/15/33/85/554153385.db2.gz UFRQAYFGHVMZRK-WJOKGBTCSA-N -1 0 691.847 8.509 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047617 554153623 /nfs/dbraw/zinc/15/36/23/554153623.db2.gz CWWPAMMHLNCKLT-JGCGQSQUSA-N -1 0 687.884 8.534 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047640 554154039 /nfs/dbraw/zinc/15/40/39/554154039.db2.gz IFZVUVWXDGRIHF-MHZLTWQESA-N -1 0 665.765 6.957 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047683 554154390 /nfs/dbraw/zinc/15/43/90/554154390.db2.gz YEBLCYVNCHHCSE-WJOKGBTCSA-N -1 0 708.302 8.879 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000098047710 554154946 /nfs/dbraw/zinc/15/49/46/554154946.db2.gz FTRJXKUAFXLTQQ-UMSFTDKQSA-N -1 0 703.817 8.802 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047724 554154977 /nfs/dbraw/zinc/15/49/77/554154977.db2.gz IQCIFSBJYXWLFJ-PMERELPUSA-N -1 0 655.773 8.093 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047731 554155327 /nfs/dbraw/zinc/15/53/27/554155327.db2.gz HAJCPLARIOWHGV-JGCGQSQUSA-N -1 0 675.763 8.707 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047749 554155346 /nfs/dbraw/zinc/15/53/46/554155346.db2.gz GSPSTEKGDGUNIO-HHHXNRCGSA-N -1 0 597.693 7.223 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1F ZINC000098047742 554155419 /nfs/dbraw/zinc/15/54/19/554155419.db2.gz AZSIWHXXZGASCX-MHZLTWQESA-N -1 0 597.693 7.223 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098047783 554155766 /nfs/dbraw/zinc/15/57/66/554155766.db2.gz DTCGEQMUDBZVJF-GDLZYMKVSA-N -1 0 685.780 6.810 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047776 554155781 /nfs/dbraw/zinc/15/57/81/554155781.db2.gz QKAVHUGJQHPMSD-LJAQVGFWSA-N -1 0 623.731 7.779 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047789 554156330 /nfs/dbraw/zinc/15/63/30/554156330.db2.gz HTICTZBGZVGKJP-SSEXGKCCSA-N -1 0 651.766 7.349 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F ZINC000098047836 554156650 /nfs/dbraw/zinc/15/66/50/554156650.db2.gz MZYLPVZNQIAZGJ-SANMLTNESA-N -1 0 567.667 7.214 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047825 554156712 /nfs/dbraw/zinc/15/67/12/554156712.db2.gz QLFAAVFSDKHMEJ-MUUNZHRXSA-N -1 0 611.720 7.613 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047823 554156787 /nfs/dbraw/zinc/15/67/87/554156787.db2.gz NIAAISUECNGYGC-WJOKGBTCSA-N -1 0 669.800 8.402 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl ZINC000100005911 554178008 /nfs/dbraw/zinc/17/80/08/554178008.db2.gz JAEONEOMKMVYLR-UQQQWYQISA-N -1 0 509.216 6.070 50 30 KKEARM CC(C)CC(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100008472 554179807 /nfs/dbraw/zinc/17/98/07/554179807.db2.gz PYCBVLUBTMHNPW-MHZLTWQESA-N -1 0 574.718 5.997 50 30 in-vitro KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](Oc5ccccc5C(=O)[O-])CC[C@@]34C)[C@@H]2C1 ZINC000036286378 554211377 /nfs/dbraw/zinc/21/13/77/554211377.db2.gz LNZWDWPFTHLSHQ-WFLSRWDRSA-N -1 0 604.828 8.286 50 30 KKEARM COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144529 554230064 /nfs/dbraw/zinc/23/00/64/554230064.db2.gz VVXLGDWTVLLOEU-JVEWKGNHSA-N -1 0 538.025 5.250 50 30 KKEARM CC(C)CC(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100155235 554232516 /nfs/dbraw/zinc/23/25/16/554232516.db2.gz XSDVRBYPXOEYHM-SANMLTNESA-N -1 0 560.691 5.607 50 30 KKEARM CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N\[O-] ZINC000100167147 554237363 /nfs/dbraw/zinc/23/73/63/554237363.db2.gz ZANDTFJGFAKDBJ-OWWNRXNESA-N -1 0 553.656 8.348 50 30 KKEARM Cc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000043199870 554297799 /nfs/dbraw/zinc/29/77/99/554297799.db2.gz XLEVMSDNWOWFNX-SANMLTNESA-N -1 0 579.497 5.863 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276038 554330672 /nfs/dbraw/zinc/33/06/72/554330672.db2.gz JIMPHZVSIVMXET-APYJYERMSA-N -1 0 584.625 5.256 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053290102 554331212 /nfs/dbraw/zinc/33/12/12/554331212.db2.gz OYGFILRNYKXEHY-IBGZPJMESA-N -1 0 547.416 5.645 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053291241 554331498 /nfs/dbraw/zinc/33/14/98/554331498.db2.gz YGAJDMZKOBQSQV-OAQYLSRUSA-N -1 0 520.588 5.326 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053291619 554331878 /nfs/dbraw/zinc/33/18/78/554331878.db2.gz KZGBXDNKIYTPCM-LJQANCHMSA-N -1 0 557.422 5.101 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053291955 554332016 /nfs/dbraw/zinc/33/20/16/554332016.db2.gz UFVXJSUSGBPEOB-QFIPXVFZSA-N -1 0 522.604 5.557 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000053291831 554332047 /nfs/dbraw/zinc/33/20/47/554332047.db2.gz KIUOSQCJIGFTQF-VWLOTQADSA-N -1 0 527.602 5.525 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000053291829 554332138 /nfs/dbraw/zinc/33/21/38/554332138.db2.gz KIUOSQCJIGFTQF-RUZDIDTESA-N -1 0 527.602 5.525 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000053292176 554332244 /nfs/dbraw/zinc/33/22/44/554332244.db2.gz DBLVHZDETBYRKD-HXUWFJFHSA-N -1 0 531.175 6.134 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053292054 554332298 /nfs/dbraw/zinc/33/22/98/554332298.db2.gz DTQMJHDGTFBGET-JOCHJYFZSA-N -1 0 569.864 6.894 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053306256 554333523 /nfs/dbraw/zinc/33/35/23/554333523.db2.gz GAFQZEOTGZVCKK-QFIPXVFZSA-N -1 0 553.409 6.380 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053306594 554333952 /nfs/dbraw/zinc/33/39/52/554333952.db2.gz QPYRHDIMAVDPLN-HXUWFJFHSA-N -1 0 561.443 6.035 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306525 554334062 /nfs/dbraw/zinc/33/40/62/554334062.db2.gz GHCCEYULCOYILE-JOCHJYFZSA-N -1 0 551.418 5.859 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306650 554334297 /nfs/dbraw/zinc/33/42/97/554334297.db2.gz QFHZIBIAMOAKLM-NRFANRHFSA-N -1 0 523.383 6.289 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000053308030 554335438 /nfs/dbraw/zinc/33/54/38/554335438.db2.gz RIPKKAHNVKIWPU-QFIPXVFZSA-N -1 0 525.399 5.916 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053319139 554336354 /nfs/dbraw/zinc/33/63/54/554336354.db2.gz MABUGCGPXXNHPR-HXUWFJFHSA-N -1 0 571.449 5.491 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000053319266 554336959 /nfs/dbraw/zinc/33/69/59/554336959.db2.gz FDZRNWYAFWRNEW-HXUWFJFHSA-N -1 0 527.346 6.120 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319467 554338339 /nfs/dbraw/zinc/33/83/39/554338339.db2.gz LSZKZWFLTRCEGO-SANMLTNESA-N -1 0 598.633 5.371 50 30 KKEARM CC(C)(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3cc(Cl)ccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053319516 554338672 /nfs/dbraw/zinc/33/86/72/554338672.db2.gz HTESLVSIKXNDFH-KTBRYMIGSA-N -1 0 591.535 8.056 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053337491 554342313 /nfs/dbraw/zinc/34/23/13/554342313.db2.gz FQRBSHBCPRHLFH-XMMPIXPASA-N -1 0 565.003 5.521 50 30 KKEARM CCCCCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000058992819 554371525 /nfs/dbraw/zinc/37/15/25/554371525.db2.gz IDISFXJRBVUYNA-WOPWWUTRSA-N -1 0 570.661 7.160 50 30 KKEARM CN(C)c1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000058993332 554371583 /nfs/dbraw/zinc/37/15/83/554371583.db2.gz IKXFYHFSGBCBOC-BDMQEEMLSA-N -1 0 536.451 6.018 50 30 KKEARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccccc2SC(F)(F)C(F)(F)C(F)(F)F)C1=O ZINC000059595598 554408038 /nfs/dbraw/zinc/40/80/38/554408038.db2.gz MQERBWLDGKAAKJ-GFCCVEGCSA-N -1 0 528.427 5.087 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000100527786 554410159 /nfs/dbraw/zinc/41/01/59/554410159.db2.gz UCFGDMWVQZCNMP-WPWMEQJKSA-N -1 0 508.323 5.782 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100674875 554443298 /nfs/dbraw/zinc/44/32/98/554443298.db2.gz GNUSEKUPDRAQFO-XMMPIXPASA-N -1 0 627.557 6.989 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100675312 554443606 /nfs/dbraw/zinc/44/36/06/554443606.db2.gz GQABLEPHWICNLH-VWLOTQADSA-N -1 0 578.687 6.235 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100675303 554443627 /nfs/dbraw/zinc/44/36/27/554443627.db2.gz FKESLAUHPHKFAJ-RUZDIDTESA-N -1 0 578.687 6.235 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677194 554444212 /nfs/dbraw/zinc/44/42/12/554444212.db2.gz IKVFFZMNHYIOOA-GOSISDBHSA-N -1 0 535.380 5.775 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677235 554444221 /nfs/dbraw/zinc/44/42/21/554444221.db2.gz MVAGHKDWIGXSRX-VWLOTQADSA-N -1 0 572.614 6.651 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100677309 554444684 /nfs/dbraw/zinc/44/46/84/554444684.db2.gz NRJYWDYVPNQINZ-AREMUKBSSA-N -1 0 608.713 6.387 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677751 554444690 /nfs/dbraw/zinc/44/46/90/554444690.db2.gz YRCLGOLPILCAQU-RUZDIDTESA-N -1 0 596.677 6.436 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000100677303 554444734 /nfs/dbraw/zinc/44/47/34/554444734.db2.gz IPMCHLYSTKERAQ-XMMPIXPASA-N -1 0 564.660 5.989 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100678331 554445026 /nfs/dbraw/zinc/44/50/26/554445026.db2.gz WNIWCNHPCHFSAU-MHZLTWQESA-N -1 0 622.740 6.633 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100679408 554445230 /nfs/dbraw/zinc/44/52/30/554445230.db2.gz SCNWSOPEVJMPKU-XMMPIXPASA-N -1 0 610.685 5.616 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100679422 554445399 /nfs/dbraw/zinc/44/53/99/554445399.db2.gz ABPVTEHGLUEXTL-QFIPXVFZSA-N -1 0 555.052 6.243 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100680042 554446001 /nfs/dbraw/zinc/44/60/01/554446001.db2.gz RNPZETDORCFWDO-VWLOTQADSA-N -1 0 592.670 5.773 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000100680302 554446491 /nfs/dbraw/zinc/44/64/91/554446491.db2.gz DYHKJSMVLKHGAG-VWLOTQADSA-N -1 0 578.687 6.379 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100681070 554447262 /nfs/dbraw/zinc/44/72/62/554447262.db2.gz KCDLQCHQRNMSTG-HSZRJFAPSA-N -1 0 596.658 5.226 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100681029 554447267 /nfs/dbraw/zinc/44/72/67/554447267.db2.gz HSBPHUYXEVTIDZ-HSZRJFAPSA-N -1 0 611.514 6.519 50 30 KKEARM CCCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000100709116 554453311 /nfs/dbraw/zinc/45/33/11/554453311.db2.gz ONDOLMMYPZRUSF-UHFFFAOYSA-N -1 0 533.738 7.244 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000100725386 554456611 /nfs/dbraw/zinc/45/66/11/554456611.db2.gz SUQOUTWTBDDPGD-AREMUKBSSA-N -1 0 527.750 7.596 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000100736808 554461272 /nfs/dbraw/zinc/46/12/72/554461272.db2.gz CDIYQVLWRRSKEX-QFIPXVFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000100856580 554493496 /nfs/dbraw/zinc/49/34/96/554493496.db2.gz FFMOCDDFFXMXNN-CVMULMBHSA-N -1 0 513.681 6.462 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000100891159 554511976 /nfs/dbraw/zinc/51/19/76/554511976.db2.gz FBANEWQEXNESHV-NSYGIPOTSA-N -1 0 526.574 5.807 50 30 KKEARM CC(C)C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575263 554540277 /nfs/dbraw/zinc/54/02/77/554540277.db2.gz XWAJOKWQOOUXKJ-UHFFFAOYSA-N -1 0 519.195 5.768 50 30 KKEARM CC(C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575255 554540281 /nfs/dbraw/zinc/54/02/81/554540281.db2.gz BVQXSASJCAZAJV-UHFFFAOYSA-N -1 0 505.168 5.520 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062638 554570617 /nfs/dbraw/zinc/57/06/17/554570617.db2.gz BYRHBTWSPKHJIC-IBOXJLQUSA-N -1 0 520.202 5.294 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062647 554570629 /nfs/dbraw/zinc/57/06/29/554570629.db2.gz AAIBVDHFKMEHPP-HOGKFDNTSA-N -1 0 533.403 6.324 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069834 554574258 /nfs/dbraw/zinc/57/42/58/554574258.db2.gz FDYIUEAGIPLPJR-IAMBOQNYSA-N -1 0 537.410 6.441 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069856 554574429 /nfs/dbraw/zinc/57/44/29/554574429.db2.gz PKYYTVTWCMHJJF-OBVHCKHUSA-N -1 0 523.408 6.203 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069944 554574657 /nfs/dbraw/zinc/57/46/57/554574657.db2.gz NWNQWXHPGZIJCY-YDJIHCHBSA-N -1 0 502.286 6.094 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101072871 554576597 /nfs/dbraw/zinc/57/65/97/554576597.db2.gz HHBGQWIECMFSEY-YDJIHCHBSA-N -1 0 509.356 5.824 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(Nc3ccc(Br)cc3)nc(OC(C(F)(F)F)C(F)(F)F)n2)c1 ZINC000101079821 554578516 /nfs/dbraw/zinc/57/85/16/554578516.db2.gz KLLPCUZMLQSOHY-FLUNURKVSA-N -1 0 596.242 5.310 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Br)s1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101089871 554581667 /nfs/dbraw/zinc/58/16/67/554581667.db2.gz IGZWBPFTLXSGJT-BSEYFRJRSA-N -1 0 566.502 6.723 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100186 554586816 /nfs/dbraw/zinc/58/68/16/554586816.db2.gz MYUZHLVCPZNIHK-JBCNATCCSA-N -1 0 523.383 6.133 50 30 KKEARM O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1Nc1ccccc1/N=C/c1c(O)ccc2ccccc21 ZINC000101131885 554650521 /nfs/dbraw/zinc/65/05/21/554650521.db2.gz WYBOOCFNYIDSEO-HBHSWBPBSA-N -1 0 615.483 7.512 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000101276737 554702950 /nfs/dbraw/zinc/70/29/50/554702950.db2.gz BJWROTHVTQRQNC-MRJHHRETSA-N -1 0 573.454 6.044 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000101277578 554704008 /nfs/dbraw/zinc/70/40/08/554704008.db2.gz IFUVJNRFWVDOEH-MRJHHRETSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278094 554704465 /nfs/dbraw/zinc/70/44/65/554704465.db2.gz NJMQCYIUAGVBQR-AYWGPLOBSA-N -1 0 548.617 5.136 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101278263 554704780 /nfs/dbraw/zinc/70/47/80/554704780.db2.gz LYCUUFSXCMGENA-ONQGDUAMSA-N -1 0 625.659 6.216 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000101278222 554704917 /nfs/dbraw/zinc/70/49/17/554704917.db2.gz LJXBQFNXDZLCPG-JVZIKCOHSA-N -1 0 551.020 5.397 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101293998 554710667 /nfs/dbraw/zinc/71/06/67/554710667.db2.gz YEWPOOWRUBXHDE-NXLSWJSLSA-N -1 0 516.550 5.635 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316892 554724127 /nfs/dbraw/zinc/72/41/27/554724127.db2.gz OXKIEFSDSZCXRX-ZLYDLHQSSA-N -1 0 597.718 6.345 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316971 554724277 /nfs/dbraw/zinc/72/42/77/554724277.db2.gz XPIZKVVEMNGGDW-FZIYRNTBSA-N -1 0 615.708 6.484 50 30 KKEARM CCCCc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)cc4C)c3=O)n2)cc1 ZINC000101398769 554759495 /nfs/dbraw/zinc/75/94/95/554759495.db2.gz UZTYWQSVHWKPGH-MDVFONAFSA-N -1 0 552.660 6.897 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@@H](c4ccc(Cl)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000101417660 554766209 /nfs/dbraw/zinc/76/62/09/554766209.db2.gz NYZLFEYXFUWBDQ-IZZNHLLZSA-N -1 0 522.033 6.586 50 30 KKEARM O=c1c(N=Nc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101444472 554773781 /nfs/dbraw/zinc/77/37/81/554773781.db2.gz LOSKQBVXUAUUPX-ZXPTYKNPSA-N -1 0 518.558 6.091 50 30 KKEARM CC(=O)c1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101455651 554777212 /nfs/dbraw/zinc/77/72/12/554777212.db2.gz DZXBQQYIDKDCJB-OLFWJLLRSA-N -1 0 510.535 5.140 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc5ccccc5c4)c3=O)n2)cc1 ZINC000101484002 554785058 /nfs/dbraw/zinc/78/50/58/554785058.db2.gz MWHILDVSUNYMRA-MXNGAVTRSA-N -1 0 548.584 6.099 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000101646170 554815587 /nfs/dbraw/zinc/81/55/87/554815587.db2.gz HPOHKGREBAHZOG-JTBTUTDQSA-N -1 0 571.655 5.884 50 30 KKEARM CC(C)c1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4C#N)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000101977324 554863139 /nfs/dbraw/zinc/86/31/39/554863139.db2.gz OIBRIXDFRCAKJK-UHFFFAOYSA-N -1 0 594.718 6.472 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1OC ZINC000102052484 554871614 /nfs/dbraw/zinc/87/16/14/554871614.db2.gz NNARSPIERZYGBO-QLXKLKPCSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OCc1ccccc1 ZINC000102052533 554871881 /nfs/dbraw/zinc/87/18/81/554871881.db2.gz YCMZMMLDUXLBBH-GJBXTBEHSA-N -1 0 617.727 7.486 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000102053117 554872066 /nfs/dbraw/zinc/87/20/66/554872066.db2.gz XWVADTJDMFBOQW-WGDIFIGCSA-N -1 0 527.602 5.613 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053305 554872088 /nfs/dbraw/zinc/87/20/88/554872088.db2.gz SBKKXDRXMGLBPF-IZHWHUGBSA-N -1 0 550.467 7.205 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1C(F)(F)F)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053677 554872365 /nfs/dbraw/zinc/87/23/65/554872365.db2.gz OOVVOURMNDQOJV-CPJLOUKISA-N -1 0 549.574 6.917 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053720 554872370 /nfs/dbraw/zinc/87/23/70/554872370.db2.gz YQMQZBOKGPDFSC-BZQUYTCOSA-N -1 0 550.467 7.205 50 30 KKEARM COc1cccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000102053458 554872415 /nfs/dbraw/zinc/87/24/15/554872415.db2.gz YOLZAQSNKCHMEN-QLXKLKPCSA-N -1 0 541.629 5.916 50 30 KKEARM CCCCCCCCCCCCCCCCN(C)/C(=N/NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000102313134 554910000 /nfs/dbraw/zinc/91/00/00/554910000.db2.gz LFEXHROGJGORGJ-NWBJSICCSA-N -1 0 617.853 7.455 50 30 KKEARM CCCCCCCCCCCCC/C=C/C[C@H](CC(=O)[O-])C(=O)Nc1ccc(-n2c(=O)cc(C)n2CC)cc1 ZINC000102312629 554910050 /nfs/dbraw/zinc/91/00/50/554910050.db2.gz IZRLIWWWJBSGAJ-YJUNHESCSA-N -1 0 539.761 7.644 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102434310 554927543 /nfs/dbraw/zinc/92/75/43/554927543.db2.gz OYQIRVHXOMQAJJ-NXLSWJSLSA-N -1 0 513.575 5.664 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483863 554937636 /nfs/dbraw/zinc/93/76/36/554937636.db2.gz TZGDNQCBXKYFOK-AYWGPLOBSA-N -1 0 531.546 5.238 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102484995 554937862 /nfs/dbraw/zinc/93/78/62/554937862.db2.gz LUIQCLQBUUEKDA-MOBKVPTQSA-N -1 0 541.398 5.378 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102487459 554938587 /nfs/dbraw/zinc/93/85/87/554938587.db2.gz WQIHIJVMUBQAGI-MOBKVPTQSA-N -1 0 508.502 5.218 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102487409 554938613 /nfs/dbraw/zinc/93/86/13/554938613.db2.gz KTNCHXMKEAOSFG-HOGKFDNTSA-N -1 0 554.983 5.741 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102502252 554943414 /nfs/dbraw/zinc/94/34/14/554943414.db2.gz FGSYWPMYLMFQSO-MRJHHRETSA-N -1 0 539.382 5.833 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102514974 554947643 /nfs/dbraw/zinc/94/76/43/554947643.db2.gz IKJUZZKYWIKVJV-JBCNATCCSA-N -1 0 524.570 5.182 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102543271 554958127 /nfs/dbraw/zinc/95/81/27/554958127.db2.gz YDPAUDRJMSVAMI-CZNAVJSXSA-N -1 0 600.649 5.466 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102542578 554958165 /nfs/dbraw/zinc/95/81/65/554958165.db2.gz NGYUFHBJZIYKQB-MOBKVPTQSA-N -1 0 535.419 6.084 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102545766 554959106 /nfs/dbraw/zinc/95/91/06/554959106.db2.gz DQHAMZZHUJPQHJ-MOBKVPTQSA-N -1 0 549.948 5.255 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102546644 554959527 /nfs/dbraw/zinc/95/95/27/554959527.db2.gz PGLWOUMMOXGRTE-ANCNPBKRSA-N -1 0 581.477 6.952 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102552630 554962771 /nfs/dbraw/zinc/96/27/71/554962771.db2.gz FCVZALRKEHZLCE-CJJGVWJISA-N -1 0 514.509 5.336 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102560378 554967635 /nfs/dbraw/zinc/96/76/35/554967635.db2.gz GKNBULDDKPQHPM-VEZPTTSMSA-N -1 0 630.719 6.526 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563395 554968924 /nfs/dbraw/zinc/96/89/24/554968924.db2.gz SWUDXHAVYUNRGR-HOGKFDNTSA-N -1 0 553.865 6.901 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102572657 554971024 /nfs/dbraw/zinc/97/10/24/554971024.db2.gz JIGOREQASHXBHH-NXLSWJSLSA-N -1 0 591.642 5.376 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102576324 554971561 /nfs/dbraw/zinc/97/15/61/554971561.db2.gz AKIIVLULWONQOS-NPJIAGGLSA-N -1 0 578.643 5.239 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102578771 554971756 /nfs/dbraw/zinc/97/17/56/554971756.db2.gz NKIMSCYZXSSDFA-AYWGPLOBSA-N -1 0 561.616 5.367 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102580518 554972231 /nfs/dbraw/zinc/97/22/31/554972231.db2.gz VBBPRKBXZBXELW-ONQGDUAMSA-N -1 0 606.697 6.019 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102581533 554972595 /nfs/dbraw/zinc/97/25/95/554972595.db2.gz HIIWMOVEWZBIAO-OGHRCCBNSA-N -1 0 589.670 5.928 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102581884 554972706 /nfs/dbraw/zinc/97/27/06/554972706.db2.gz VPNFQZKSJMTAAS-NXLSWJSLSA-N -1 0 608.097 5.890 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102584198 554972775 /nfs/dbraw/zinc/97/27/75/554972775.db2.gz QHRHEBQCXVHLQN-QHCPKHFHSA-N -1 0 566.632 5.223 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102587641 554973609 /nfs/dbraw/zinc/97/36/09/554973609.db2.gz VNRCCDVYPQAPMW-CJJGVWJISA-N -1 0 619.696 6.156 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102589811 554973856 /nfs/dbraw/zinc/97/38/56/554973856.db2.gz OKBVGDJVMRLNSO-DEGIHATKSA-N -1 0 502.379 5.103 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102594325 554975410 /nfs/dbraw/zinc/97/54/10/554975410.db2.gz GDQUFWUIGPSXRB-MOBKVPTQSA-N -1 0 517.887 6.002 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102598904 554977382 /nfs/dbraw/zinc/97/73/82/554977382.db2.gz IGHWROWUBAYKIH-AIKCTZLLSA-N -1 0 594.089 6.573 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102603664 554978121 /nfs/dbraw/zinc/97/81/21/554978121.db2.gz FWIIATRYOFKMDJ-NPJIAGGLSA-N -1 0 615.689 5.323 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102606407 554979277 /nfs/dbraw/zinc/97/92/77/554979277.db2.gz MGRGHVLODSFFMD-HOGKFDNTSA-N -1 0 528.439 5.257 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102617066 554984483 /nfs/dbraw/zinc/98/44/83/554984483.db2.gz NLEDXEDYSGBOAT-FSISNWKMSA-N -1 0 543.557 5.163 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102617416 554984804 /nfs/dbraw/zinc/98/48/04/554984804.db2.gz OCIPVPXTHYZOLQ-WYNCGZBVSA-N -1 0 634.751 6.546 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102622201 554987463 /nfs/dbraw/zinc/98/74/63/554987463.db2.gz GQMSSHKTLODGCW-AYWGPLOBSA-N -1 0 577.615 5.073 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102653551 554997122 /nfs/dbraw/zinc/99/71/22/554997122.db2.gz VLOMKZGINBDUQG-CZNAVJSXSA-N -1 0 600.649 5.466 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102655741 554998763 /nfs/dbraw/zinc/99/87/63/554998763.db2.gz BLYHBIIIFSMMKQ-WGQAXHKASA-N -1 0 577.456 6.017 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000102656162 554999056 /nfs/dbraw/zinc/99/90/56/554999056.db2.gz SZNBQTUBQVICCR-CJJGVWJISA-N -1 0 620.680 5.379 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102663324 555001212 /nfs/dbraw/zinc/00/12/12/555001212.db2.gz KZFVDRUJXYUOAJ-YMCWBSDSSA-N -1 0 531.521 5.293 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102681683 555005790 /nfs/dbraw/zinc/00/57/90/555005790.db2.gz KADWAWDAJPMILK-RSERVXPISA-N -1 0 611.445 5.862 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102696392 555011357 /nfs/dbraw/zinc/01/13/57/555011357.db2.gz RBWMYRXTKFAPFL-AYWGPLOBSA-N -1 0 531.546 5.156 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102723965 555021028 /nfs/dbraw/zinc/02/10/28/555021028.db2.gz KQCPJNDNCJMZBX-MOBKVPTQSA-N -1 0 509.414 6.792 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102733068 555024349 /nfs/dbraw/zinc/02/43/49/555024349.db2.gz SZIBHDYGKLMGDO-AYWGPLOBSA-N -1 0 533.447 6.556 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102734022 555024572 /nfs/dbraw/zinc/02/45/72/555024572.db2.gz GZXOZMNNXWFGTI-WOOAAIBNSA-N -1 0 503.736 5.034 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736976 555026473 /nfs/dbraw/zinc/02/64/73/555026473.db2.gz UXLVVDZMFOWANP-CGKJMNDRSA-N -1 0 557.584 5.553 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770829 555058220 /nfs/dbraw/zinc/05/82/20/555058220.db2.gz WCUOGRPSJCNIPT-XLNMUAQOSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771304 555060027 /nfs/dbraw/zinc/06/00/27/555060027.db2.gz GGOZJWHURATZQL-WRPQUVRJSA-N -1 0 610.544 7.087 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000102771547 555060648 /nfs/dbraw/zinc/06/06/48/555060648.db2.gz NOBWSQFCHBHUCV-WAUVLBAPSA-N -1 0 509.008 5.961 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102860178 555090292 /nfs/dbraw/zinc/09/02/92/555090292.db2.gz GUKYHZIZBOLWDS-LFVOPCPISA-N -1 0 527.421 5.755 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102862947 555092556 /nfs/dbraw/zinc/09/25/56/555092556.db2.gz HDDOXQMQJQKLQG-IAMBOQNYSA-N -1 0 503.511 5.587 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102863469 555093260 /nfs/dbraw/zinc/09/32/60/555093260.db2.gz SOSPRUFBTPXKPF-QKJBWNOYSA-N -1 0 530.602 5.565 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102864041 555093967 /nfs/dbraw/zinc/09/39/67/555093967.db2.gz ILRGDLKXEMXSOJ-NHFXJNLRSA-N -1 0 508.577 5.010 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102864671 555094133 /nfs/dbraw/zinc/09/41/33/555094133.db2.gz ZXZXYEFEEHNNMM-YDJIHCHBSA-N -1 0 513.413 5.547 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102866914 555096391 /nfs/dbraw/zinc/09/63/91/555096391.db2.gz AZDTWPKWAJTXBC-YDJIHCHBSA-N -1 0 508.596 5.453 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869512 555098771 /nfs/dbraw/zinc/09/87/71/555098771.db2.gz VJHROUKXINXEAE-FGEDTZIGSA-N -1 0 613.761 6.959 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870509 555100632 /nfs/dbraw/zinc/10/06/32/555100632.db2.gz UHVXCIDVHLRYIN-MNOIWJKESA-N -1 0 627.788 7.349 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102874945 555104910 /nfs/dbraw/zinc/10/49/10/555104910.db2.gz HZGOBLCYRHZELX-MOBKVPTQSA-N -1 0 520.538 5.088 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102875359 555105273 /nfs/dbraw/zinc/10/52/73/555105273.db2.gz VKDUISRDTYVNED-CZNAVJSXSA-N -1 0 603.678 5.942 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102880201 555109350 /nfs/dbraw/zinc/10/93/50/555109350.db2.gz ZJQCJLNECVXKFM-ZHHPLPSFSA-N -1 0 567.019 5.610 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102882724 555111138 /nfs/dbraw/zinc/11/11/38/555111138.db2.gz FORCWUGRJKHRFH-AYWGPLOBSA-N -1 0 550.589 5.249 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102882926 555111276 /nfs/dbraw/zinc/11/12/76/555111276.db2.gz FXILAMULQCHRTG-DPEHCCBOSA-N -1 0 509.392 5.233 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102883458 555111977 /nfs/dbraw/zinc/11/19/77/555111977.db2.gz GJIJGJVOECYPCV-AYWGPLOBSA-N -1 0 534.977 5.356 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884348 555113170 /nfs/dbraw/zinc/11/31/70/555113170.db2.gz CDONGKQZFJKPBD-WBMUNJTESA-N -1 0 606.125 6.442 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102884839 555114795 /nfs/dbraw/zinc/11/47/95/555114795.db2.gz TZIJMQVEUDOCRO-NXLSWJSLSA-N -1 0 559.556 5.001 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102885262 555115499 /nfs/dbraw/zinc/11/54/99/555115499.db2.gz BALBVIOTKHBNPK-NPJIAGGLSA-N -1 0 572.614 5.891 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102886924 555117777 /nfs/dbraw/zinc/11/77/77/555117777.db2.gz LYZBYQMEQCPQPC-SBXHHDGASA-N -1 0 517.006 6.310 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887137 555118266 /nfs/dbraw/zinc/11/82/66/555118266.db2.gz NYLLOEADLPERFC-WNQPQFFOSA-N -1 0 603.697 6.318 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887303 555118890 /nfs/dbraw/zinc/11/88/90/555118890.db2.gz BBQMRYCDWAPUOX-JVJOXMINSA-N -1 0 617.724 6.708 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887787 555120105 /nfs/dbraw/zinc/12/01/05/555120105.db2.gz SEEXHYXBJFGPBG-QNIVJUIWSA-N -1 0 617.680 5.706 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887805 555120135 /nfs/dbraw/zinc/12/01/35/555120135.db2.gz JLYOKVIJEMEGHU-NGAXIMOQSA-N -1 0 599.734 6.569 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887935 555120478 /nfs/dbraw/zinc/12/04/78/555120478.db2.gz BULJLLUIYUFTBA-WGGXKBPPSA-N -1 0 592.629 6.495 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102887939 555120550 /nfs/dbraw/zinc/12/05/50/555120550.db2.gz BULJLLUIYUFTBA-MIOXIQPJSA-N -1 0 592.629 6.495 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888258 555121175 /nfs/dbraw/zinc/12/11/75/555121175.db2.gz FWTOIUXJIIMMQG-IOUQRVAPSA-N -1 0 613.717 5.875 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102889934 555124489 /nfs/dbraw/zinc/12/44/89/555124489.db2.gz WHZKVPIMTSBJRT-MOBKVPTQSA-N -1 0 573.841 6.654 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccnc3)s2)cc1 ZINC000102891594 555127361 /nfs/dbraw/zinc/12/73/61/555127361.db2.gz DRKSCGZGPALDEJ-JBCNATCCSA-N -1 0 500.605 5.160 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891998 555128058 /nfs/dbraw/zinc/12/80/58/555128058.db2.gz IVCUMHFCTVAFEW-KNZGKXHUSA-N -1 0 533.005 5.908 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102892322 555128478 /nfs/dbraw/zinc/12/84/78/555128478.db2.gz SHGLAKCPWIJNIY-NXLSWJSLSA-N -1 0 559.556 5.001 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102893384 555130856 /nfs/dbraw/zinc/13/08/56/555130856.db2.gz JVMCZBMULSOTSG-CZNAVJSXSA-N -1 0 604.637 5.118 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102893602 555131080 /nfs/dbraw/zinc/13/10/80/555131080.db2.gz FRWVAIHORZLONI-TXTDGAROSA-N -1 0 628.703 6.159 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102894940 555133171 /nfs/dbraw/zinc/13/31/71/555133171.db2.gz DYFAJRPVZQVTIN-NPJIAGGLSA-N -1 0 599.621 5.660 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897423 555137848 /nfs/dbraw/zinc/13/78/48/555137848.db2.gz HUHSWABZFOOHEP-KGDZIIOTSA-N -1 0 549.004 5.614 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102899751 555139453 /nfs/dbraw/zinc/13/94/53/555139453.db2.gz WAIVTKKLHZDKHX-CZNAVJSXSA-N -1 0 622.696 5.603 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000102926826 555151553 /nfs/dbraw/zinc/15/15/53/555151553.db2.gz NUQQCOUHJBDLPL-TXTDGAROSA-N -1 0 628.703 6.246 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102931131 555158189 /nfs/dbraw/zinc/15/81/89/555158189.db2.gz MJVDZLKUQQTOSR-HOGKFDNTSA-N -1 0 506.967 5.593 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102935129 555162489 /nfs/dbraw/zinc/16/24/89/555162489.db2.gz AAHFADSSALNAJP-NHFXJNLRSA-N -1 0 510.999 5.641 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102937671 555165656 /nfs/dbraw/zinc/16/56/56/555165656.db2.gz GANGEFSBEGNLFZ-HSZRJFAPSA-N -1 0 612.041 5.329 50 30 KKEARM CCCCCCCCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@H](C)CC3 ZINC000103009059 555205484 /nfs/dbraw/zinc/20/54/84/555205484.db2.gz YNMOOKQFMWSWJP-QGZVFWFLSA-N -1 0 555.657 6.076 50 30 KKEARM COc1cc(/C=C2\Oc3c(c(C)cc([O-])c3CN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc(OC)c1OC ZINC000103895914 571368837 /nfs/dbraw/zinc/36/88/37/571368837.db2.gz XOGFSLUREMQIBD-CFRMEGHHSA-N -1 0 551.039 5.318 50 30 KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](Oc5ccccc5C(=O)[O-])CC[C@@]34C)[C@H]2C1 ZINC000104071946 571372195 /nfs/dbraw/zinc/37/21/95/571372195.db2.gz LNZWDWPFTHLSHQ-FRFFBLBKSA-N -1 0 604.828 8.286 50 30 KKEARM O=C1/C(=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000104945040 571388454 /nfs/dbraw/zinc/38/84/54/571388454.db2.gz OSZAHXBOMHYINU-IMJVWOFVSA-N -1 0 524.396 5.736 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150340810 571457943 /nfs/dbraw/zinc/45/79/43/571457943.db2.gz OJMBMWRMTMHMSZ-UHFFFAOYSA-N -1 0 814.120 9.528 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000150350586 571461926 /nfs/dbraw/zinc/46/19/26/571461926.db2.gz YQBZMUCKFFBKGL-YSURURNPSA-N -1 0 645.032 6.923 50 30 KKEARM N#Cc1c(/N=C/c2cc(I)cc(I)c2[O-])oc(-c2ccccc2)c1-c1ccccc1 ZINC000150354095 571462914 /nfs/dbraw/zinc/46/29/14/571462914.db2.gz FAFIAPJBANAHHW-CCVNUDIWSA-N -1 0 616.196 7.151 50 30 KKEARM CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000150356188 571463167 /nfs/dbraw/zinc/46/31/67/571463167.db2.gz ICGLCNFMBTVTTB-LUOAPIJWSA-N -1 0 619.360 7.211 50 30 KKEARM CCCCCCCCCCCCSC(=S)S[C@H](C)C(=O)Oc1cc(OC(=O)[C@@H](C)SC(=S)SCCCCCCCCCCCC)cc(C(=O)[O-])c1 ZINC000150369173 571465539 /nfs/dbraw/zinc/46/55/39/571465539.db2.gz GOLRGLNMILBFFI-FIRIVFDPSA-N -1 0 819.321 13.317 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000150388733 571471096 /nfs/dbraw/zinc/47/10/96/571471096.db2.gz KNWGTMWFIWTXMW-LFVJCYFKSA-N -1 0 643.115 6.196 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000150391104 571473383 /nfs/dbraw/zinc/47/33/83/571473383.db2.gz KXZSJAMIOUAYPJ-CGOBSMCZSA-N -1 0 617.037 5.338 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[C@H](/N=N/c2c(C)n[nH]c2C)C1 ZINC000150395362 571475920 /nfs/dbraw/zinc/47/59/20/571475920.db2.gz GJHKDMBRGNBVRG-MCUKFUTKSA-N -1 0 721.969 10.077 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000150402307 571478423 /nfs/dbraw/zinc/47/84/23/571478423.db2.gz ZZWZYHZJFBZWLB-SXBRIOAWSA-N -1 0 735.212 7.233 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150414016 571484957 /nfs/dbraw/zinc/48/49/57/571484957.db2.gz PYXGHWHTBGYKHT-JGCGQSQUSA-N -1 0 659.764 9.006 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418432 571486425 /nfs/dbraw/zinc/48/64/25/571486425.db2.gz QXWNMBQFAXVJTM-ONQGDUAMSA-N -1 0 649.722 6.164 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418187 571486440 /nfs/dbraw/zinc/48/64/40/571486440.db2.gz IECSAWRQOZEICZ-XTUFCYCQSA-N -1 0 664.205 7.231 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422204 571488032 /nfs/dbraw/zinc/48/80/32/571488032.db2.gz VESWORFXTAHDFI-NBXYUPGTSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424252 571488958 /nfs/dbraw/zinc/48/89/58/571488958.db2.gz UINYYWOMOFCRBU-VIDUVWHZSA-N -1 0 685.868 7.912 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424435 571489162 /nfs/dbraw/zinc/48/91/62/571489162.db2.gz XHHIFHWTMOCGJJ-RIEKNRFYSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424439 571489179 /nfs/dbraw/zinc/48/91/79/571489179.db2.gz XHHIFHWTMOCGJJ-NBXYUPGTSA-N -1 0 706.286 8.257 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426366 571490642 /nfs/dbraw/zinc/49/06/42/571490642.db2.gz YOQFDFNZDWOERT-WBMUNJTESA-N -1 0 634.135 6.220 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426555 571490955 /nfs/dbraw/zinc/49/09/55/571490955.db2.gz GLFTVGYGNRKUDZ-CGKJMNDRSA-N -1 0 668.580 6.874 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426653 571490980 /nfs/dbraw/zinc/49/09/80/571490980.db2.gz MWQIIKDOJYSFOA-LHKMDIPOSA-N -1 0 649.750 6.720 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426786 571491162 /nfs/dbraw/zinc/49/11/62/571491162.db2.gz GOCQOEBYHGTZJY-OGHRCCBNSA-N -1 0 634.135 6.220 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432492 571494193 /nfs/dbraw/zinc/49/41/93/571494193.db2.gz ZTZSSSUTXDYSIY-XMMPIXPASA-N -1 0 642.067 5.425 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150432503 571494335 /nfs/dbraw/zinc/49/43/35/571494335.db2.gz VJCSTSLGBRFYMI-JOCHJYFZSA-N -1 0 627.012 5.229 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150432480 571494350 /nfs/dbraw/zinc/49/43/50/571494350.db2.gz JWKYSSGLNKEAQT-RUZDIDTESA-N -1 0 624.096 6.444 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C ZINC000150434365 571494899 /nfs/dbraw/zinc/49/48/99/571494899.db2.gz AYVFXOCAIZPHDO-LJAQVGFWSA-N -1 0 648.778 7.190 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435044 571495097 /nfs/dbraw/zinc/49/50/97/571495097.db2.gz PIJNDXLDPVPQAH-QMMFTLRZSA-N -1 0 667.740 6.946 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150435108 571495252 /nfs/dbraw/zinc/49/52/52/571495252.db2.gz BLRVCSUIXHTBPP-MUUNZHRXSA-N -1 0 627.694 7.992 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435788 571495756 /nfs/dbraw/zinc/49/57/56/571495756.db2.gz ZSBDCRHJZKDDML-KFLIVHAJSA-N -1 0 711.793 7.345 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439913 571497552 /nfs/dbraw/zinc/49/75/52/571497552.db2.gz VYFRXGUGTUNNRV-JOZOHXTNSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440068 571497779 /nfs/dbraw/zinc/49/77/79/571497779.db2.gz IXWKXDUJSMOLAL-DNPZSINUSA-N -1 0 709.821 7.897 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441788 571498653 /nfs/dbraw/zinc/49/86/53/571498653.db2.gz HIQIBUARVMFXSE-NNZNMFTDSA-N -1 0 682.223 8.013 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445323 571500407 /nfs/dbraw/zinc/50/04/07/571500407.db2.gz DBTSEWGIPDXBLH-VEZPTTSMSA-N -1 0 668.724 6.170 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445411 571500430 /nfs/dbraw/zinc/50/04/30/571500430.db2.gz JXVYXVFWMZFTCT-RWMNMRIUSA-N -1 0 657.814 7.276 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445839 571500612 /nfs/dbraw/zinc/50/06/12/571500612.db2.gz OJNPRQCGYRYILX-TXTDGAROSA-N -1 0 658.729 6.168 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445725 571500745 /nfs/dbraw/zinc/50/07/45/571500745.db2.gz QXFMDUZJAZNDKG-DZTJFIFISA-N -1 0 631.751 7.098 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453776 571503746 /nfs/dbraw/zinc/50/37/46/571503746.db2.gz PFKKDRXKPJAABF-FWOIGAHVSA-N -1 0 637.508 6.121 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457968 571505192 /nfs/dbraw/zinc/50/51/92/571505192.db2.gz LCLFXFGTOJEZFG-QBCYBHDASA-N -1 0 643.787 6.968 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150458629 571505437 /nfs/dbraw/zinc/50/54/37/571505437.db2.gz TVJYVSLHHKCCKS-VEZPTTSMSA-N -1 0 654.741 6.715 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458485 571505560 /nfs/dbraw/zinc/50/55/60/571505560.db2.gz NCJXTFSZHJPPNU-ANBMCXBTSA-N -1 0 677.848 8.502 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461188 571506379 /nfs/dbraw/zinc/50/63/79/571506379.db2.gz MCJRIDKPEDKFFD-HYVCFMKYSA-N -1 0 696.678 8.656 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463184 571506999 /nfs/dbraw/zinc/50/69/99/571506999.db2.gz IJVXLJJBEOTLQE-QJGFIUGVSA-N -1 0 645.778 7.344 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463208 571507020 /nfs/dbraw/zinc/50/70/20/571507020.db2.gz RFPIPEUKSBZXFL-TVKWNQJWSA-N -1 0 641.815 7.658 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463331 571507076 /nfs/dbraw/zinc/50/70/76/571507076.db2.gz JRXFWVPVMBRSDX-YFFBQLFZSA-N -1 0 641.496 5.221 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463364 571507284 /nfs/dbraw/zinc/50/72/84/571507284.db2.gz ZZKHMJFNQCFEHC-NNZNMFTDSA-N -1 0 647.778 7.498 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465550 571507847 /nfs/dbraw/zinc/50/78/47/571507847.db2.gz LSQFNIMMUNAZDD-NBXYUPGTSA-N -1 0 706.286 8.401 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466139 571507934 /nfs/dbraw/zinc/50/79/34/571507934.db2.gz MXAJRSUWDWHJCK-QBCYBHDASA-N -1 0 645.778 7.488 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150470210 571509079 /nfs/dbraw/zinc/50/90/79/571509079.db2.gz KIYSKAQPCKRGKO-WGGXKBPPSA-N -1 0 643.787 6.961 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150472922 571510222 /nfs/dbraw/zinc/51/02/22/571510222.db2.gz OWWMOXSWGKUWEZ-ONQGDUAMSA-N -1 0 633.723 6.546 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476321 571510881 /nfs/dbraw/zinc/51/08/81/571510881.db2.gz HSXAVPDVGAGPRN-QMDVFYPZSA-N -1 0 696.678 8.512 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150476809 571511071 /nfs/dbraw/zinc/51/10/71/571511071.db2.gz JMJCAKNZIPLTIM-ONQGDUAMSA-N -1 0 628.131 7.035 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150479738 571511724 /nfs/dbraw/zinc/51/17/24/571511724.db2.gz AWMGHMIZEHUAPM-DFXXOVSGSA-N -1 0 647.750 6.936 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480495 571512147 /nfs/dbraw/zinc/51/21/47/571512147.db2.gz MEKQRJRHOSKDAK-ONQGDUAMSA-N -1 0 684.623 7.714 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150481065 571512279 /nfs/dbraw/zinc/51/22/79/571512279.db2.gz UDOIESNLNHXRJU-CFQDGGCTSA-N -1 0 709.846 7.959 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481235 571512440 /nfs/dbraw/zinc/51/24/40/571512440.db2.gz KQLDPVDQRDSSCP-TXTDGAROSA-N -1 0 698.650 8.104 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150481696 571512777 /nfs/dbraw/zinc/51/27/77/571512777.db2.gz KLRNWIFWGCGFSE-NXLSWJSLSA-N -1 0 642.542 6.543 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150481980 571512951 /nfs/dbraw/zinc/51/29/51/571512951.db2.gz ILPNVUKTFGLKBO-MIOXIQPJSA-N -1 0 677.776 6.945 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150484751 571515046 /nfs/dbraw/zinc/51/50/46/571515046.db2.gz BXDWTPNMTWWBIQ-CZNAVJSXSA-N -1 0 634.135 6.446 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150486608 571516296 /nfs/dbraw/zinc/51/62/96/571516296.db2.gz IIGAALXFVCEBDG-WGGXKBPPSA-N -1 0 643.787 7.105 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150486541 571516361 /nfs/dbraw/zinc/51/63/61/571516361.db2.gz MMGBAGCJGIQDKJ-CJJGVWJISA-N -1 0 636.151 6.670 50 30 KKEARM CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)Nc2[n-]n(-c3ccccc3)c(=O)c2N=Nc2ccc(C)cc2)c1 ZINC000150547379 571520807 /nfs/dbraw/zinc/52/08/07/571520807.db2.gz IFHNCSWFGDXQDL-COHVINCYSA-N -1 0 714.911 8.725 50 30 KKEARM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(C(=O)Nc2[n-]n(-c3ccccc3)c(=O)c2N=Nc2ccc(C)cc2)c1 ZINC000150547371 571520822 /nfs/dbraw/zinc/52/08/22/571520822.db2.gz IFHNCSWFGDXQDL-FQZMIKKCSA-N -1 0 714.911 8.725 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000163652781 571539182 /nfs/dbraw/zinc/53/91/82/571539182.db2.gz IJDRCJGYWUCJTR-YGIVHSIPSA-N -1 0 828.109 8.619 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc1 ZINC000217763462 571602573 /nfs/dbraw/zinc/60/25/73/571602573.db2.gz GZWAUUISOQIERK-RWFYVVHNSA-N -1 0 508.482 5.711 50 30 biogenic KKEARM CCCCCCCCCCCc1cc([N+](=O)[O-])cc2c1OC1=CC(=O)C(=Nc3cc([N+](=O)[O-])ccc3[O-])C[C@H]1N2 ZINC000261491355 572110143 /nfs/dbraw/zinc/11/01/43/572110143.db2.gz SURGNZICPDHZNG-XMMPIXPASA-N -1 0 550.612 6.917 50 30 KKEARM COc1cc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263585358 572118171 /nfs/dbraw/zinc/11/81/71/572118171.db2.gz HTPBJWRGJYZCOD-QMFCMINHSA-N -1 0 568.534 5.728 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](Cc3nc4ccccc4[nH]3)c3ccc(Cl)cc3)C1=O)O2 ZINC000263585895 572120986 /nfs/dbraw/zinc/12/09/86/572120986.db2.gz NQJDRHFYXFAQSM-YRCSAVHKSA-N -1 0 598.055 5.672 50 30 KKEARM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(occ(-c5ccc(OC)c(OC)c5)c4=O)c32)cc1OC ZINC000263586582 572124246 /nfs/dbraw/zinc/12/42/46/572124246.db2.gz VXSDFOYTDMRXFX-LJQANCHMSA-N -1 0 544.556 5.587 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)nc1-c1ccccc1 ZINC000299738335 572133513 /nfs/dbraw/zinc/13/35/13/572133513.db2.gz WVYLWQBDCDRQDR-UHFFFAOYSA-N -1 0 629.911 10.373 50 30 KKEARM CCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000299738294 572133593 /nfs/dbraw/zinc/13/35/93/572133593.db2.gz RGRKJJHOGUHTAL-UHFFFAOYSA-N -1 0 525.674 7.515 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=Nc2ccccc2)cc1 ZINC000245204297 572201968 /nfs/dbraw/zinc/20/19/68/572201968.db2.gz PFFWCQPOOTXNED-AFKZWVQSSA-N -1 0 556.381 5.499 50 30 KKEARM Cc1ccc([C@@H]2C[C@](O)(c3cccc4ccccc43)[C@H](C(=O)c3cccc4ccccc43)[C@@H](c3ccc(C)cc3)[C@]2(C#N)C(=O)[O-])cc1 ZINC000248117348 572253964 /nfs/dbraw/zinc/25/39/64/572253964.db2.gz VSLMFSVQEOOJIV-ATHHFPRDSA-N -1 0 629.756 8.862 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1 ZINC000252463099 572261278 /nfs/dbraw/zinc/26/12/78/572261278.db2.gz YWBSQZVHGIMFDY-UHFFFAOYSA-N -1 0 505.525 6.356 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)c(Br)c4)c3=O)n2)cc1 ZINC000252462336 572261287 /nfs/dbraw/zinc/26/12/87/572261287.db2.gz RPMXTRQPFZJBSJ-UHFFFAOYSA-N -1 0 591.447 6.017 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Cl)cc([N+](=O)[O-])cc4Cl)c3=O)n2)cc1 ZINC000252462439 572261320 /nfs/dbraw/zinc/26/13/20/572261320.db2.gz SGJBGYXBHKUNPH-UHFFFAOYSA-N -1 0 612.411 6.161 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000252463249 572261382 /nfs/dbraw/zinc/26/13/82/572261382.db2.gz ZZWZYHZJFBZWLB-UHFFFAOYSA-N -1 0 735.212 7.233 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000252504390 572261909 /nfs/dbraw/zinc/26/19/09/572261909.db2.gz ANKSFLDOVZNXOJ-AUBAKQONSA-N -1 0 994.129 10.456 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)SC2=Nc2ccccc2)cc1 ZINC000252591338 572266589 /nfs/dbraw/zinc/26/65/89/572266589.db2.gz AZUSFDIHHVKTIV-YLAHNNDWSA-N -1 0 623.945 8.728 50 30 KKEARM O=C(Nc1cccc(N=Cc2cc(Br)c([O-])c(Br)c2O)c1)c1ccc(F)cc1 ZINC000252590183 572266621 /nfs/dbraw/zinc/26/66/21/572266621.db2.gz AQMQXSYAWQRJQJ-UHFFFAOYSA-N -1 0 508.141 5.765 50 30 KKEARM Cc1cc(C)cc(-c2nc3cc(N=Cc4cc(I)cc(I)c4[O-])ccc3o2)c1 ZINC000252597695 572267102 /nfs/dbraw/zinc/26/71/02/572267102.db2.gz CTPSRSLADGPISX-UHFFFAOYSA-N -1 0 594.190 6.777 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252598039 572267117 /nfs/dbraw/zinc/26/71/17/572267117.db2.gz CXPSNTBZOHAGFL-UHFFFAOYSA-N -1 0 660.189 7.317 50 30 KKEARM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252607133 572267883 /nfs/dbraw/zinc/26/78/83/572267883.db2.gz GYKIOAVEGDOGIJ-FHWREHBESA-N -1 0 548.418 5.832 50 30 KKEARM CN(C)c1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000252611558 572268271 /nfs/dbraw/zinc/26/82/71/572268271.db2.gz IKXFYHFSGBCBOC-OYCLJWPKSA-N -1 0 536.451 6.018 50 30 KKEARM CCOC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000252619980 572269263 /nfs/dbraw/zinc/26/92/63/572269263.db2.gz LVIKAKLWBXRNCU-NLCFUMAGSA-N -1 0 625.497 5.902 50 30 KKEARM C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000252622490 572269718 /nfs/dbraw/zinc/26/97/18/572269718.db2.gz NWKIJCIMXJJVHV-ZGIIEGLESA-N -1 0 608.691 7.644 50 30 KKEARM CCCCN(CCCC)c1nc(N=NCc2cc(Br)cc(Br)c2OC)nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000252626598 572270579 /nfs/dbraw/zinc/27/05/79/572270579.db2.gz RBVJSJNQVRDWNH-UHFFFAOYSA-N -1 0 650.376 6.910 50 30 KKEARM O=C([O-])c1ccc(COc2c(I)cc(/C=C3/SC(=Nc4ccccc4)N(Cc4ccco4)C3=O)cc2I)cc1 ZINC000252627290 572270675 /nfs/dbraw/zinc/27/06/75/572270675.db2.gz RQVUYXLEBNHQJB-MGMQLSQISA-N -1 0 762.363 7.570 50 30 KKEARM C[C@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000252627552 572270816 /nfs/dbraw/zinc/27/08/16/572270816.db2.gz RWVAAUQAHSQQJX-QFIPXVFZSA-N -1 0 560.202 5.600 50 30 KKEARM Cc1ccccc1N=C1S/C(=C/c2c(Br)cc(Br)c([O-])c2Br)C(=O)N1c1ccccc1C ZINC000252633759 572271739 /nfs/dbraw/zinc/27/17/39/572271739.db2.gz WGEUBCWNDCNCGH-CPGQCLDFSA-N -1 0 637.191 8.105 50 30 KKEARM COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1c(O)c(OC)cc(Br)c1Br ZINC000252637288 572272004 /nfs/dbraw/zinc/27/20/04/572272004.db2.gz XRJUFEFORZVHMC-UHFFFAOYSA-N -1 0 546.215 6.802 50 30 KKEARM O=c1sc2ccccc2c([O-])c1[C@@H](CC(=NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000252642078 572272465 /nfs/dbraw/zinc/27/24/65/572272465.db2.gz ZJRKWEFHLSKNRW-HKBQPEDESA-N -1 0 631.595 9.435 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@H]1CC[C@@H]2O ZINC000252679308 572281312 /nfs/dbraw/zinc/28/13/12/572281312.db2.gz KQGBJEZYOYEOPW-IDALSMDISA-N -1 0 522.686 5.057 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000252695051 572281838 /nfs/dbraw/zinc/28/18/38/572281838.db2.gz UERBGZSPLHPNNH-AHTVNNOQSA-N -1 0 521.654 5.225 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3c(C)[nH]c4ccc(OC(F)(F)F)cc43)C1=O)O2 ZINC000253401719 572285407 /nfs/dbraw/zinc/28/54/07/572285407.db2.gz FUTLMKGYKRXYNO-UDKXPFRISA-N -1 0 584.547 5.089 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)[C@@H]3CCOC(C)(C)C3)C1=O)O2 ZINC000253404723 572286070 /nfs/dbraw/zinc/28/60/70/572286070.db2.gz HYCNKKGGDFCLBZ-OHQPJBBTSA-N -1 0 567.723 5.806 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)[C@H]3CCOC(C)(C)C3)C1=O)O2 ZINC000253404715 572286077 /nfs/dbraw/zinc/28/60/77/572286077.db2.gz HYCNKKGGDFCLBZ-DHZSCVSCSA-N -1 0 567.723 5.806 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253502312 572295416 /nfs/dbraw/zinc/29/54/16/572295416.db2.gz BVRXYKXINDXTNL-IQKBYAKHSA-N -1 0 564.723 5.017 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533377 572299397 /nfs/dbraw/zinc/29/93/97/572299397.db2.gz JFBCPEYXJIIHIY-OPWLBXEESA-N -1 0 558.760 5.238 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534116 572299788 /nfs/dbraw/zinc/29/97/88/572299788.db2.gz ZKLSMMQOZBNCNB-WNSMPJNWSA-N -1 0 556.744 5.014 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000253618269 572301650 /nfs/dbraw/zinc/30/16/50/572301650.db2.gz KXZSJAMIOUAYPJ-UHFFFAOYSA-N -1 0 617.037 5.338 50 30 KKEARM CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(I)c1OCc1ccccc1Cl ZINC000100226549 1069729796 /nfs/dbraw/zinc/72/97/96/1069729796.db2.gz FABVKISOXQEGLF-ZMFRSBBQSA-N -1 0 550.780 6.067 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000101453101 1069795662 /nfs/dbraw/zinc/79/56/62/1069795662.db2.gz XIMDCPWMQSQGPT-AWQADKOQSA-N -1 0 607.051 6.822 50 30 KKEARM COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731124 1069832619 /nfs/dbraw/zinc/83/26/19/1069832619.db2.gz KUEGPZQMYTVPSR-GPLMECSSSA-N -1 0 610.999 5.397 50 30 KKEARM COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@H](C)C2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000524731195 1069833025 /nfs/dbraw/zinc/83/30/25/1069833025.db2.gz NHNYXPOIGBNLCH-HGYCMBMOSA-N -1 0 634.037 5.326 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888090272 1071063160 /nfs/dbraw/zinc/06/31/60/1071063160.db2.gz PLRNAFVZQQKPQC-JIFYINTFSA-N -1 0 610.999 5.397 50 30 KKEARM COC(=O)C[C@H](c1ccc(C(C)C)cc1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2ccc(C(C)C)cc2)C(=O)C1=O ZINC000217946990 1071293906 /nfs/dbraw/zinc/29/39/06/1071293906.db2.gz HMWHXBUCCWOTRB-PSWAGMNNSA-N -1 0 548.632 5.703 50 30 biogenic KKEARM COc1cccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c1OC ZINC000217993984 1071294890 /nfs/dbraw/zinc/29/48/90/1071294890.db2.gz WZSORPBRYVAHHO-FQOPDIHJSA-N -1 0 538.508 5.719 50 30 biogenic KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000254289666 1072843869 /nfs/dbraw/zinc/84/38/69/1072843869.db2.gz BYYVXQVOLQGLTF-UHFFFAOYSA-N -1 0 561.645 6.449 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccccc2OC(F)F)c(C)c1 ZINC000254296283 1072845183 /nfs/dbraw/zinc/84/51/83/1072845183.db2.gz QEEXETDQFGCWHJ-UHFFFAOYSA-N -1 0 504.515 5.450 50 30 KKEARM CCC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC)c1ccc(OC(F)F)cc1 ZINC000254302240 1072845814 /nfs/dbraw/zinc/84/58/14/1072845814.db2.gz DUYXJIHYMFOAJO-UHFFFAOYSA-N -1 0 520.514 5.232 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000254633526 1072869254 /nfs/dbraw/zinc/86/92/54/1072869254.db2.gz ZVBJCLMGFNMNSC-NDEPHWFRSA-N -1 0 542.617 6.352 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000000631125 551505092 /nfs/dbraw/zinc/50/50/92/551505092.db2.gz JNJDDYHUCHZFGS-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc2-3)c1 ZINC000000675864 551522102 /nfs/dbraw/zinc/52/21/02/551522102.db2.gz GRZALDBFOBMUOW-UHFFFAOYSA-N -1 0 561.685 5.729 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000000702937 551529749 /nfs/dbraw/zinc/52/97/49/551529749.db2.gz HRVWJIUOTWQXAW-QHCPKHFHSA-N -1 0 532.574 5.591 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000000718141 551534952 /nfs/dbraw/zinc/53/49/52/551534952.db2.gz SWQHCHPDOJCYLR-APYJYERMSA-N -1 0 540.635 6.889 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000000718143 551535251 /nfs/dbraw/zinc/53/52/51/551535251.db2.gz SWQHCHPDOJCYLR-KCEHZKJRSA-N -1 0 540.635 6.889 50 30 KKEARM CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000728522 551538901 /nfs/dbraw/zinc/53/89/01/551538901.db2.gz RATGILKHGUOGSA-CCLHPLFOSA-N -1 0 502.567 5.538 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC(=O)[O-] ZINC000000886031 551558467 /nfs/dbraw/zinc/55/84/67/551558467.db2.gz MXGNOAIBOZPUQX-UHFFFAOYSA-N -1 0 533.415 5.321 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccccc3)c(Br)c2)C2=C1CCCC2=O ZINC000001011416 551596860 /nfs/dbraw/zinc/59/68/60/551596860.db2.gz ZNTRMMCKHDEMRY-UHFFFAOYSA-N -1 0 536.422 5.526 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001070907 551602917 /nfs/dbraw/zinc/60/29/17/551602917.db2.gz OMDDYQPXXBPWPU-KEEVHDRGSA-N -1 0 599.640 5.635 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001070894 551602930 /nfs/dbraw/zinc/60/29/30/551602930.db2.gz OMDDYQPXXBPWPU-WRGVRERRSA-N -1 0 599.640 5.635 50 30 KKEARM CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OCC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077426 551604874 /nfs/dbraw/zinc/60/48/74/551604874.db2.gz GLNIPDWENLHMFW-LDLUVENISA-N -1 0 545.592 6.086 50 30 KKEARM CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3)C2)cc1 ZINC000001248371 551631985 /nfs/dbraw/zinc/63/19/85/551631985.db2.gz WKMLAVZSZNFSEK-RBBQXQBVSA-N -1 0 537.660 6.298 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1 ZINC000001259065 551633579 /nfs/dbraw/zinc/63/35/79/551633579.db2.gz KGEXVVPEHJTOJQ-XDBZFTIUSA-N -1 0 502.592 5.522 50 30 KKEARM COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322620 551641962 /nfs/dbraw/zinc/64/19/62/551641962.db2.gz YHQQUHQUFYMXJY-SFNQZPIRSA-N -1 0 546.576 5.071 50 30 biogenic KKEARM COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322621 551642075 /nfs/dbraw/zinc/64/20/75/551642075.db2.gz YHQQUHQUFYMXJY-JWRCQZCYSA-N -1 0 546.576 5.071 50 30 biogenic KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409609 551664178 /nfs/dbraw/zinc/66/41/78/551664178.db2.gz SHUORKRSIJZSML-WENCNXQZSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@H]2c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000001438537 551671970 /nfs/dbraw/zinc/67/19/70/551671970.db2.gz LGVMKRCPRKZIIN-XGCWNURASA-N -1 0 548.592 5.165 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001446500 551674187 /nfs/dbraw/zinc/67/41/87/551674187.db2.gz AQQWBWMXKIPTTH-DEOSSOPVSA-N -1 0 540.597 6.203 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001451433 551676045 /nfs/dbraw/zinc/67/60/45/551676045.db2.gz FTMBNLNDEOZMMM-OAQYLSRUSA-N -1 0 523.408 6.306 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1 ZINC000001457558 551677029 /nfs/dbraw/zinc/67/70/29/551677029.db2.gz MLQHAYFWNWAGKS-ADXZGYQBSA-N -1 0 516.619 5.831 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000001457466 551677055 /nfs/dbraw/zinc/67/70/55/551677055.db2.gz BGNYIUFAMQMHFF-WYOOIXGGSA-N -1 0 552.671 6.758 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000001457510 551677061 /nfs/dbraw/zinc/67/70/61/551677061.db2.gz JPVCAUACVPTXQB-KEEVHDRGSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457455 551677121 /nfs/dbraw/zinc/67/71/21/551677121.db2.gz ZXKSBUMYDADIME-NHOCJEJCSA-N -1 0 582.697 6.767 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001457583 551677419 /nfs/dbraw/zinc/67/74/19/551677419.db2.gz VRQJMAFWZJYLJT-APYJYERMSA-N -1 0 567.642 6.658 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000001469794 551680205 /nfs/dbraw/zinc/68/02/05/551680205.db2.gz CXBOZMZXETWROU-QFIPXVFZSA-N -1 0 533.403 6.481 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480155 551681620 /nfs/dbraw/zinc/68/16/20/551681620.db2.gz XQXSLEDQEKHJCO-JOCHJYFZSA-N -1 0 536.993 5.758 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001481487 551682625 /nfs/dbraw/zinc/68/26/25/551682625.db2.gz OJQZXMUBCWLYEN-QFIPXVFZSA-N -1 0 554.983 5.898 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000001481486 551682708 /nfs/dbraw/zinc/68/27/08/551682708.db2.gz QCGILDIEIVQONI-JOCHJYFZSA-N -1 0 524.957 5.889 50 30 KKEARM CCCCCCCCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccccc1[N+](=O)[O-])CC(C)(C)OC3 ZINC000001822679 551709109 /nfs/dbraw/zinc/70/91/09/551709109.db2.gz QNJMFIXYSCNJRI-UHFFFAOYSA-N -1 0 526.659 5.895 50 30 KKEARM O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)CC1 ZINC000001847551 551714893 /nfs/dbraw/zinc/71/48/93/551714893.db2.gz PJEATXXOXDPXOO-AFUMVMLFSA-N -1 0 549.288 5.692 50 30 KKEARM COc1ccc(CCN2C(=O)[C@](c3c(C)[n-]n(-c4ccccc4)c3=O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000001877037 551722956 /nfs/dbraw/zinc/72/29/56/551722956.db2.gz GXCVAWSFURCZDL-SSEXGKCCSA-N -1 0 583.607 5.019 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000001881371 551724246 /nfs/dbraw/zinc/72/42/46/551724246.db2.gz YEXKQIKMPVXETJ-BHGWPJFGSA-N -1 0 502.162 6.485 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4[O-])ccc3o2)cc1Br ZINC000001882928 551724630 /nfs/dbraw/zinc/72/46/30/551724630.db2.gz CLSUTCMDHHQCOS-KIBLKLHPSA-N -1 0 520.608 7.438 50 30 KKEARM CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000002064167 551744950 /nfs/dbraw/zinc/74/49/50/551744950.db2.gz PRTWCIJTMLJKBF-LFVJCYFKSA-N -1 0 542.730 6.080 50 30 KKEARM O=C(Oc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1)c1ccc(I)cc1 ZINC000002071490 551747413 /nfs/dbraw/zinc/74/74/13/551747413.db2.gz QUAKBWSSFPVANF-MUFRIFMGSA-N -1 0 560.347 6.775 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3[O-])nc2c1 ZINC000002071712 551747522 /nfs/dbraw/zinc/74/75/22/551747522.db2.gz NCGJROQRFHIGAT-IBBHUPRXSA-N -1 0 517.368 7.785 50 30 KKEARM COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000002123969 551771506 /nfs/dbraw/zinc/77/15/06/551771506.db2.gz VAYZLYHKDSNADX-UHFFFAOYSA-N -1 0 530.061 5.526 50 30 KKEARM CCOC(=O)CCc1cc(/N=C/c2cc(Br)ccc2O)c([O-])c(/N=C/c2cc(Br)ccc2O)c1 ZINC000002160732 551780553 /nfs/dbraw/zinc/78/05/53/551780553.db2.gz ZGGLALWTOCSQNP-JOFLXYQRSA-N -1 0 590.268 6.325 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000002166253 551781773 /nfs/dbraw/zinc/78/17/73/551781773.db2.gz ABUZXYCEOUQAHF-YSURURNPSA-N -1 0 553.581 6.972 50 30 KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002173572 551782538 /nfs/dbraw/zinc/78/25/38/551782538.db2.gz SFAIYCUSPDTFKU-UDWIEESQSA-N -1 0 579.545 5.808 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4[O-])ccc3o2)cc1 ZINC000002186523 551787538 /nfs/dbraw/zinc/78/75/38/551787538.db2.gz DINOOIGUMANSKL-UVHMKAGCSA-N -1 0 530.793 7.507 50 30 KKEARM CCCCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000002597787 552134715 /nfs/dbraw/zinc/13/47/15/552134715.db2.gz ZGSFTUCVLVEPSB-UHFFFAOYSA-N -1 0 504.439 6.846 50 30 KKEARM CCCCCCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000002597788 552134717 /nfs/dbraw/zinc/13/47/17/552134717.db2.gz DCBMIZVLWURXNI-UHFFFAOYSA-N -1 0 532.493 7.627 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Nc3nc(Cl)ncc3-c3cc(-c4ccccc4)nc(Cl)n3)cc2)c1 ZINC000003047866 552276251 /nfs/dbraw/zinc/27/62/51/552276251.db2.gz TYXCQTAXVDCXKW-AMVVHIIESA-N -1 0 558.385 7.015 50 30 KKEARM Cc1cccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3[O-])nc21 ZINC000003083608 552285842 /nfs/dbraw/zinc/28/58/42/552285842.db2.gz FZBFKPZENTZFNX-OKCVXOCRSA-N -1 0 527.374 7.241 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cc4ccccc4cc3O)nc2c1 ZINC000003083614 552285860 /nfs/dbraw/zinc/28/58/60/552285860.db2.gz NRMHETLOMRGOQV-KKMKTNMSSA-N -1 0 538.195 7.335 50 30 KKEARM O=C(Oc1cccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003113314 552289902 /nfs/dbraw/zinc/28/99/02/552289902.db2.gz WUQKTECNCFMHLH-RWPZCVJISA-N -1 0 540.513 6.455 50 30 KKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cc(Cl)cc(Cl)c4)nc3c2)c([O-])c1Br ZINC000003114323 552290349 /nfs/dbraw/zinc/29/03/49/552290349.db2.gz KZJRHGIWOLAUKC-OXUBWTJQSA-N -1 0 524.629 8.291 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1[O-] ZINC000003162567 552297750 /nfs/dbraw/zinc/29/77/50/552297750.db2.gz AOXNKECEPQBGPS-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000003314161 552352896 /nfs/dbraw/zinc/35/28/96/552352896.db2.gz BWNIRNRAXJGEAL-UHFFFAOYSA-N -1 0 533.650 5.197 50 30 KKEARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c(Cl)cc2Cl)cc1Cl ZINC000003318243 552354450 /nfs/dbraw/zinc/35/44/50/552354450.db2.gz IOVWCBZJJKEILM-UHFFFAOYSA-N -1 0 598.848 5.132 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000003658115 552405559 /nfs/dbraw/zinc/40/55/59/552405559.db2.gz DDQRVBZTSKWWTD-FOKLQQMPSA-N -1 0 519.136 6.318 50 30 KKEARM [O-]c1c(Br)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(O)c1Br ZINC000003657993 552405594 /nfs/dbraw/zinc/40/55/94/552405594.db2.gz LUUNDCWYEBCSOK-PGGKNCGUSA-N -1 0 522.580 6.835 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000004017815 552428849 /nfs/dbraw/zinc/42/88/49/552428849.db2.gz UUBVYZGLVGLRQZ-YSURURNPSA-N -1 0 600.581 6.814 50 30 KKEARM Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1[O-] ZINC000004212651 552449524 /nfs/dbraw/zinc/44/95/24/552449524.db2.gz JMPFSEBWVLAJKM-QGZVFWFLSA-N -1 0 663.080 7.124 50 30 in-man KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000004618742 552469245 /nfs/dbraw/zinc/46/92/45/552469245.db2.gz NAJLOJRYHLGAOI-GTYOFVGBSA-N -1 0 538.600 5.547 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355651 552498885 /nfs/dbraw/zinc/49/88/85/552498885.db2.gz VISQEGCSWZUJIJ-QHCPKHFHSA-N -1 0 550.633 5.599 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000005357225 552499715 /nfs/dbraw/zinc/49/97/15/552499715.db2.gz AECKIEFARABMBS-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000005357414 552499800 /nfs/dbraw/zinc/49/98/00/552499800.db2.gz YATAZRHRDZEMHG-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)[C@@](O)(CC(=O)c3ccccc3)N2c2ccc(OC)cc2)cc1 ZINC000005544654 552504599 /nfs/dbraw/zinc/50/45/99/552504599.db2.gz IMKRISCWILHDNH-NDKRRWIDSA-N -1 0 535.596 5.922 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919153 552512315 /nfs/dbraw/zinc/51/23/15/552512315.db2.gz YENSGDCFDIQIDN-XMMPIXPASA-N -1 0 564.660 5.907 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919159 552512396 /nfs/dbraw/zinc/51/23/96/552512396.db2.gz VPMOTLDERGMULN-RUZDIDTESA-N -1 0 578.687 6.297 50 30 KKEARM O=S(=O)(N/C(=N/c1c(Cl)c(Cl)c([O-])c(Cl)c1Cl)c1ccccc1)c1ccc(Br)cc1 ZINC000006023486 552520242 /nfs/dbraw/zinc/52/02/42/552520242.db2.gz ZBFXCPOAOCLSDT-UHFFFAOYSA-N -1 0 569.091 6.825 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000006143930 552545508 /nfs/dbraw/zinc/54/55/08/552545508.db2.gz QXWULKYLVBTWDX-JOCHJYFZSA-N -1 0 503.967 6.075 50 30 KKEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1 ZINC000006146298 552548069 /nfs/dbraw/zinc/54/80/69/552548069.db2.gz LWUWRAZSFARVOB-UHFFFAOYSA-N -1 0 530.400 5.187 50 30 KKEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)cc2)c1C ZINC000006229143 552571539 /nfs/dbraw/zinc/57/15/39/552571539.db2.gz JRAJVCHIPJSERX-UHFFFAOYSA-N -1 0 587.605 5.776 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000006458989 552589980 /nfs/dbraw/zinc/58/99/80/552589980.db2.gz VXTLJXDQZGXTHN-NRFANRHFSA-N -1 0 543.211 6.003 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008384001 552988303 /nfs/dbraw/zinc/98/83/03/552988303.db2.gz QGPYLERAELMBOD-MHZLTWQESA-N -1 0 595.702 7.233 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008383994 552988349 /nfs/dbraw/zinc/98/83/49/552988349.db2.gz QGPYLERAELMBOD-HHHXNRCGSA-N -1 0 595.702 7.233 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccccc3F)s2)cc1 ZINC000008384029 552988667 /nfs/dbraw/zinc/98/86/67/552988667.db2.gz YYJHFDVMNJONQW-DEOSSOPVSA-N -1 0 557.628 6.807 50 30 KKEARM O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(Nc4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([O-])c1 ZINC000008386876 552992810 /nfs/dbraw/zinc/99/28/10/552992810.db2.gz WVRUEYVUZBNLHI-VULFUBBASA-N -1 0 544.436 6.186 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Br)c1[O-] ZINC000008386916 552992901 /nfs/dbraw/zinc/99/29/01/552992901.db2.gz SWVZQWUCPDLETA-GZZLJNBRSA-N -1 0 575.035 10.390 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(OC(=O)C=C([O-])c2ccc(C3CCC(CCC)CC3)cc2)cc1 ZINC000008396694 552995903 /nfs/dbraw/zinc/99/59/03/552995903.db2.gz VQNWEKRLKUGMDF-UHFFFAOYSA-N -1 0 604.916 11.799 50 30 KKEARM O=c1c(N=Nc2ccccc2C(F)(F)F)c(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000008398399 552998915 /nfs/dbraw/zinc/99/89/15/552998915.db2.gz SHVXKVANNYVTRM-JDCMOKTRSA-N -1 0 570.394 6.810 50 30 KKEARM CC(C)(C)c1csc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccccc3C(=O)N3CCCCC3)c2=O)n1 ZINC000008398379 552998938 /nfs/dbraw/zinc/99/89/38/552998938.db2.gz KXXAXRSLANRVJV-QLTSDVKISA-N -1 0 559.652 5.194 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O ZINC000008437939 553032446 /nfs/dbraw/zinc/03/24/46/553032446.db2.gz SQRVWRHAUVGMKU-UHFFFAOYSA-N -1 0 570.867 6.180 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008440512 553037721 /nfs/dbraw/zinc/03/77/21/553037721.db2.gz ZTXAKGRTQNUERN-HXUWFJFHSA-N -1 0 528.428 5.571 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC ZINC000008441149 553039813 /nfs/dbraw/zinc/03/98/13/553039813.db2.gz YWKCDKDJTNSEAW-JOCHJYFZSA-N -1 0 548.573 5.209 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441213 553039967 /nfs/dbraw/zinc/03/99/67/553039967.db2.gz WRLPSJVPFIQMMC-OAQYLSRUSA-N -1 0 531.640 6.421 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccccc3)s2)cc1 ZINC000008441272 553040059 /nfs/dbraw/zinc/04/00/59/553040059.db2.gz HHGFSNOAYADHDT-XMMPIXPASA-N -1 0 539.638 6.668 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc(OC)c1OC ZINC000008441243 553040103 /nfs/dbraw/zinc/04/01/03/553040103.db2.gz JGAOJIZMHHEHMJ-VWLOTQADSA-N -1 0 615.689 6.385 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441218 553040206 /nfs/dbraw/zinc/04/02/06/553040206.db2.gz CRPJMSWAZJSHFV-QHCPKHFHSA-N -1 0 541.610 6.065 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000008441811 553042499 /nfs/dbraw/zinc/04/24/99/553042499.db2.gz OZHJIONCIYXNFC-XMMPIXPASA-N -1 0 509.543 6.168 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c(OCC(=O)[O-])c(Br)c1 ZINC000008443472 553046559 /nfs/dbraw/zinc/04/65/59/553046559.db2.gz YQMCDIMMXDEYAU-UHFFFAOYSA-N -1 0 582.285 6.075 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000008451588 553061742 /nfs/dbraw/zinc/06/17/42/553061742.db2.gz XPBLLSRXVRWBNT-XRSQTDOXSA-N -1 0 683.351 7.508 50 30 KKEARM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000008461821 553075440 /nfs/dbraw/zinc/07/54/40/553075440.db2.gz OXTLEFKWLUAFPG-UHFFFAOYSA-N -1 0 500.035 5.899 50 30 KKEARM CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000008695575 553122195 /nfs/dbraw/zinc/12/21/95/553122195.db2.gz DGCKDRKRTDKKPI-MUUNZHRXSA-N -1 0 506.599 5.492 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000008744165 553133846 /nfs/dbraw/zinc/13/38/46/553133846.db2.gz QOMICXQFMDFZTH-HSZRJFAPSA-N -1 0 504.564 5.642 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836076 553162798 /nfs/dbraw/zinc/16/27/98/553162798.db2.gz YNVLOYNXWUTHNM-NRFANRHFSA-N -1 0 508.571 5.674 50 30 KKEARM Cc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(C(=O)[O-])c4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872101 553172205 /nfs/dbraw/zinc/17/22/05/553172205.db2.gz FYIMQBIQHTYBBO-UHBFCERESA-N -1 0 564.562 6.288 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008987741 553196606 /nfs/dbraw/zinc/19/66/06/553196606.db2.gz NPVWKIQPMIWUTN-NRFANRHFSA-N -1 0 505.508 5.288 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009007740 553198313 /nfs/dbraw/zinc/19/83/13/553198313.db2.gz LTGKZKZRAVRCDE-HSZRJFAPSA-N -1 0 520.563 5.397 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009007835 553198366 /nfs/dbraw/zinc/19/83/66/553198366.db2.gz QMYNPBTWXPFPNE-QFIPXVFZSA-N -1 0 506.967 5.750 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000009019504 553200987 /nfs/dbraw/zinc/20/09/87/553200987.db2.gz DOQOTQDKVINXDS-PZVJUEDKSA-N -1 0 504.336 5.330 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000009019169 553201003 /nfs/dbraw/zinc/20/10/03/553201003.db2.gz QOIIOCMGPOGDHM-UGDMGKLASA-N -1 0 510.590 5.769 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009044871 553203227 /nfs/dbraw/zinc/20/32/27/553203227.db2.gz RYKZXAJIWQKOQX-OAQYLSRUSA-N -1 0 514.987 5.222 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000009046671 553204245 /nfs/dbraw/zinc/20/42/45/553204245.db2.gz GTWXQOQQJNXUCN-FQEVSTJZSA-N -1 0 509.381 6.052 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009046760 553204304 /nfs/dbraw/zinc/20/43/04/553204304.db2.gz FSQVDLNSOVYWPR-JOCHJYFZSA-N -1 0 508.502 5.375 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009069827 553206898 /nfs/dbraw/zinc/20/68/98/553206898.db2.gz KZCOOLLEJXOUQU-FQEVSTJZSA-N -1 0 514.987 5.222 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009071474 553207053 /nfs/dbraw/zinc/20/70/53/553207053.db2.gz YXHZREKTGZUQFT-QHCPKHFHSA-N -1 0 520.538 5.244 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009123690 553212552 /nfs/dbraw/zinc/21/25/52/553212552.db2.gz SLGPIHUOXWEWRG-NRFANRHFSA-N -1 0 511.386 6.395 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccccc2Cl)no1 ZINC000009186653 553217712 /nfs/dbraw/zinc/21/77/12/553217712.db2.gz BURYFSGWUQDQKY-FQEVSTJZSA-N -1 0 515.791 6.171 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244257 553226997 /nfs/dbraw/zinc/22/69/97/553226997.db2.gz HUJMGIXGKXFMLH-FQEVSTJZSA-N -1 0 508.596 5.610 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009243836 553227102 /nfs/dbraw/zinc/22/71/02/553227102.db2.gz LBRFWYAWVAFTCV-AREMUKBSSA-N -1 0 514.509 5.493 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009272895 553232100 /nfs/dbraw/zinc/23/21/00/553232100.db2.gz XDASVYPVOPYBOQ-HXUWFJFHSA-N -1 0 502.832 6.050 50 30 KKEARM COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)c1 ZINC000009310804 553239130 /nfs/dbraw/zinc/23/91/30/553239130.db2.gz SAVRJAXDQDNWBI-KEEVHDRGSA-N -1 0 514.553 5.600 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009329206 553242282 /nfs/dbraw/zinc/24/22/82/553242282.db2.gz KTHRUTZRWJENTO-SANMLTNESA-N -1 0 520.582 5.742 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009339578 553243642 /nfs/dbraw/zinc/24/36/42/553243642.db2.gz IICLUEJYTAPNRI-IBGZPJMESA-N -1 0 501.347 5.988 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009339561 553243688 /nfs/dbraw/zinc/24/36/88/553243688.db2.gz YBZDPECCCBQMQD-HXUWFJFHSA-N -1 0 508.577 5.167 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009339577 553243731 /nfs/dbraw/zinc/24/37/31/553243731.db2.gz IICLUEJYTAPNRI-LJQANCHMSA-N -1 0 501.347 5.988 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000009353260 553245365 /nfs/dbraw/zinc/24/53/65/553245365.db2.gz VPQGCEFPWPXNKK-QFIPXVFZSA-N -1 0 503.511 5.743 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000009360151 553248369 /nfs/dbraw/zinc/24/83/69/553248369.db2.gz HLMNRKAHONXZGV-NRFANRHFSA-N -1 0 500.605 5.317 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009373846 553250708 /nfs/dbraw/zinc/25/07/08/553250708.db2.gz HNNJYIFHCVQULG-GIGQVBGESA-N -1 0 502.379 5.260 50 30 KKEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000009424746 553258873 /nfs/dbraw/zinc/25/88/73/553258873.db2.gz QCLIZSXSADCQLC-RUZDIDTESA-N -1 0 500.938 5.998 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009436557 553264534 /nfs/dbraw/zinc/26/45/34/553264534.db2.gz HWWRTYPEFIDGNN-JCQPUDPBSA-N -1 0 504.514 5.681 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009482618 553272662 /nfs/dbraw/zinc/27/26/62/553272662.db2.gz VYDPQLBRJPHVJV-UKPGIYTDSA-N -1 0 528.580 5.908 50 30 KKEARM Oc1ccccc1C=NN=c1nc(NN=Cc2ccccc2O)nc(N(c2ccccc2)c2ccccc2)[n-]1 ZINC000009519978 553276863 /nfs/dbraw/zinc/27/68/63/553276863.db2.gz YIYSHMXLISGXNO-LVXWCJCWSA-N -1 0 516.565 5.645 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000009600981 553286458 /nfs/dbraw/zinc/28/64/58/553286458.db2.gz FFJPCMOQWXRXQZ-UVDDSOTQSA-N -1 0 523.633 6.145 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccnc3)C2)cc1 ZINC000009600982 553286481 /nfs/dbraw/zinc/28/64/81/553286481.db2.gz FFJPCMOQWXRXQZ-UGDMGKLASA-N -1 0 523.633 6.145 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000009600983 553286491 /nfs/dbraw/zinc/28/64/91/553286491.db2.gz FFJPCMOQWXRXQZ-JPZYQRIQSA-N -1 0 523.633 6.145 50 30 KKEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000009635654 553291873 /nfs/dbraw/zinc/29/18/73/553291873.db2.gz WSKVRPRFTCXVFE-SLMZUGIISA-N -1 0 502.943 5.591 50 30 KKEARM CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4[O-])c3)nc2c1 ZINC000009678624 553295784 /nfs/dbraw/zinc/29/57/84/553295784.db2.gz HEXFWFMRXONVMO-BRJLIKDPSA-N -1 0 500.190 7.038 50 30 KKEARM CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(OCC)c2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009850229 553312601 /nfs/dbraw/zinc/31/26/01/553312601.db2.gz UQTQLFZFODLLCM-MKNVGELUSA-N -1 0 510.443 5.858 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000009994093 553324759 /nfs/dbraw/zinc/32/47/59/553324759.db2.gz UGEDZZPHQOPNKL-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM O=C([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)ccc1O ZINC000012376755 553361478 /nfs/dbraw/zinc/36/14/78/553361478.db2.gz DBKUNMIHCHPGOB-LQKURTRISA-N -1 0 507.510 5.469 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(C)c4C)c3=O)n2)cc1 ZINC000012403909 553362963 /nfs/dbraw/zinc/36/29/63/553362963.db2.gz FYMGXRVCHDCTKJ-JVCXMKTPSA-N -1 0 510.579 5.863 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000012411379 553363339 /nfs/dbraw/zinc/36/33/39/553363339.db2.gz FANTWRKFOPMDJF-UPCLLVRISA-N -1 0 526.611 5.321 50 30 KKEARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(/C=N/OCc2c(Cl)cccc2Cl)OCc2c(Cl)cccc2Cl)cc1 ZINC000012954968 553429379 /nfs/dbraw/zinc/42/93/79/553429379.db2.gz GCICLRZBDTUEEB-CCVNUDIWSA-N -1 0 591.300 6.601 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000013552627 553470966 /nfs/dbraw/zinc/47/09/66/553470966.db2.gz LVUNRMFUSKXNKD-LJQANCHMSA-N -1 0 503.736 5.190 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c(Cl)cc1OCC(=O)[O-] ZINC000013915593 553495809 /nfs/dbraw/zinc/49/58/09/553495809.db2.gz MODIHWQLWIOWRR-UHFFFAOYSA-N -1 0 521.997 5.738 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000016742030 553580043 /nfs/dbraw/zinc/58/00/43/553580043.db2.gz OZTKTTMOKXUMOE-OAQYLSRUSA-N -1 0 516.604 5.017 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000016742457 553580451 /nfs/dbraw/zinc/58/04/51/553580451.db2.gz YHFCDGOWUSUZQJ-XMMPIXPASA-N -1 0 512.543 5.490 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000016742458 553580458 /nfs/dbraw/zinc/58/04/58/553580458.db2.gz YHFCDGOWUSUZQJ-DEOSSOPVSA-N -1 0 512.543 5.490 50 30 KKEARM Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000017198010 553590253 /nfs/dbraw/zinc/59/02/53/553590253.db2.gz OPKCTTLIKPPXMQ-QHCPKHFHSA-N -1 0 520.379 5.855 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018058941 553602516 /nfs/dbraw/zinc/60/25/16/553602516.db2.gz GFXKHJZEWASCCL-PLTNMMHCSA-N -1 0 544.579 5.608 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070680394 553604335 /nfs/dbraw/zinc/60/43/35/553604335.db2.gz FXOJJICNCZRBFI-UGDXFRSSSA-N -1 0 587.801 8.899 50 30 biogenic KKEARM CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018198597 553609655 /nfs/dbraw/zinc/60/96/55/553609655.db2.gz MVFXBVXXJBGAOF-UZTOHYMASA-N -1 0 525.630 6.297 50 30 KKEARM CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018198592 553609721 /nfs/dbraw/zinc/60/97/21/553609721.db2.gz MVFXBVXXJBGAOF-WINIVTDRSA-N -1 0 525.630 6.297 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC ZINC000019890657 553629867 /nfs/dbraw/zinc/62/98/67/553629867.db2.gz NRASOUYETNCEKB-UHFFFAOYSA-N -1 0 516.034 5.518 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000020357564 553642629 /nfs/dbraw/zinc/64/26/29/553642629.db2.gz KARUIJNHIKDQSY-FQEVSTJZSA-N -1 0 512.743 5.584 50 30 KKEARM C=CCOc1ccc2c(c1)C(=NNc1ccc3c(Cl)cc(Cl)c([O-])c3n1)c1cc(OCC=C)ccc1-2 ZINC000020615563 553679591 /nfs/dbraw/zinc/67/95/91/553679591.db2.gz BLNPVGHAFGDASC-UHFFFAOYSA-N -1 0 518.400 7.222 50 30 KKEARM N#Cc1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000095471378 553701343 /nfs/dbraw/zinc/70/13/43/553701343.db2.gz KLVJNZSDXBGVNE-UHFFFAOYSA-N -1 0 506.008 6.431 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc(F)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000096022151 553719863 /nfs/dbraw/zinc/71/98/63/553719863.db2.gz XWOJZBKGCRLQFX-UHFFFAOYSA-N -1 0 608.761 7.026 50 30 KKEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])ccc3c2occ(-c2ccc(O)cc2)c3=O)cc1OC ZINC000096113773 553724278 /nfs/dbraw/zinc/72/42/78/553724278.db2.gz AYCPDCRNRSLQIC-QFIPXVFZSA-N -1 0 516.546 5.530 50 30 biogenic KKEARM C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114601 553725352 /nfs/dbraw/zinc/72/53/52/553725352.db2.gz IJSMTWMIPNTWQJ-SFHVURJKSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000096287847 553738928 /nfs/dbraw/zinc/73/89/28/553738928.db2.gz GLHPGZLPYRNVAR-RBISFHTESA-N -1 0 510.546 5.405 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939622 553759972 /nfs/dbraw/zinc/75/99/72/553759972.db2.gz BPUAFEQTSKMMFP-XHCCPWGMSA-N -1 0 560.628 5.866 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939696 553760402 /nfs/dbraw/zinc/76/04/02/553760402.db2.gz RCAKPRFFNSDLFX-UZTOHYMASA-N -1 0 560.628 5.518 50 30 KKEARM COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000097939705 553760495 /nfs/dbraw/zinc/76/04/95/553760495.db2.gz NWZXCVXQIKRQCP-XRHLQHRESA-N -1 0 576.627 5.484 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000097948656 553795514 /nfs/dbraw/zinc/79/55/14/553795514.db2.gz XZDPHIGQWQWYRC-APYJYERMSA-N -1 0 590.642 7.768 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948666 553795752 /nfs/dbraw/zinc/79/57/52/553795752.db2.gz FWLTYWSPPBMUBK-QTYPKTMWSA-N -1 0 591.535 8.056 50 30 KKEARM Cc1c2c(c(C)c(C)c1S(=O)(=O)N=C(NCCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])N(C)C)OC(C)(C)C2 ZINC000097950243 553803736 /nfs/dbraw/zinc/80/37/36/553803736.db2.gz QQJCGHJCOJVEGE-PMERELPUSA-N -1 0 676.836 5.293 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000097952209 553813771 /nfs/dbraw/zinc/81/37/71/553813771.db2.gz BCQHHVRTVGSKDP-XMMPIXPASA-N -1 0 527.558 5.722 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000097954007 553820513 /nfs/dbraw/zinc/82/05/13/553820513.db2.gz SFEXJRAVXNOJHU-XMMPIXPASA-N -1 0 532.549 5.388 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954051 553821039 /nfs/dbraw/zinc/82/10/39/553821039.db2.gz CGHAIYPQEJDVSX-XMMPIXPASA-N -1 0 548.617 5.387 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1 ZINC000097954033 553821045 /nfs/dbraw/zinc/82/10/45/553821045.db2.gz XJXDNXBSXVXVHM-QFIPXVFZSA-N -1 0 520.588 5.311 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955057 553827839 /nfs/dbraw/zinc/82/78/39/553827839.db2.gz OUFQQDVSJKWBMO-RZFZLAGVSA-N -1 0 549.004 5.770 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000097956861 553842734 /nfs/dbraw/zinc/84/27/34/553842734.db2.gz FFTWLGZPWPGMRA-HSZRJFAPSA-N -1 0 548.592 5.590 50 30 KKEARM CCOc1c2c(c(OCC)c3cccnc31)C(=O)N(c1ccc(CS(=O)(=O)[N-]C(=O)Cc3ccccc3OC)cc1C)C2 ZINC000029125295 553844356 /nfs/dbraw/zinc/84/43/56/553844356.db2.gz WVLIUERFVJYBNY-UHFFFAOYSA-N -1 0 603.697 5.539 50 30 in-vitro KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000029747941 553849207 /nfs/dbraw/zinc/84/92/07/553849207.db2.gz IFVRPRCKRJDAKN-WRGVRERRSA-N -1 0 599.640 5.635 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000029747945 553849238 /nfs/dbraw/zinc/84/92/38/553849238.db2.gz IFVRPRCKRJDAKN-KEEVHDRGSA-N -1 0 599.640 5.635 50 30 KKEARM O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1)c1ccc(Br)cc1 ZINC000097958525 553855554 /nfs/dbraw/zinc/85/55/54/553855554.db2.gz YPNWNWJWMKGUJM-BHGWPJFGSA-N -1 0 553.048 6.683 50 30 KKEARM O=C([O-])c1ccc(COc2c(Br)cc(/C=N/c3ccc(N4CCOCC4)cc3)cc2Br)cc1 ZINC000097960842 553873649 /nfs/dbraw/zinc/87/36/49/553873649.db2.gz UZODQQSURMXASP-RWPZCVJISA-N -1 0 574.269 6.076 50 30 KKEARM COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC([O-])=CSc3nc4ccccc4s3)c2c1 ZINC000097961810 553880813 /nfs/dbraw/zinc/88/08/13/553880813.db2.gz NAZMECULNYWMST-UHFFFAOYSA-N -1 0 545.694 5.112 50 30 KKEARM O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1)C1c3ccccc3C2c2ccccc21 ZINC000097962805 553885651 /nfs/dbraw/zinc/88/56/51/553885651.db2.gz WUZBZQYBOVCGEX-FTQCWTENSA-N -1 0 552.222 5.143 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000097964077 553896302 /nfs/dbraw/zinc/89/63/02/553896302.db2.gz PFBGWTZKKGYPIV-LDLBKURHSA-N -1 0 548.020 6.121 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966811 553910685 /nfs/dbraw/zinc/91/06/85/553910685.db2.gz AKIYGPRAKYAXMI-JOCHJYFZSA-N -1 0 553.409 6.380 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967036 553913149 /nfs/dbraw/zinc/91/31/49/553913149.db2.gz GOQSNHKMHPACTG-HHHXNRCGSA-N -1 0 614.676 5.926 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097967270 553916362 /nfs/dbraw/zinc/91/63/62/553916362.db2.gz JFIHGISKMZVRQQ-LJAQVGFWSA-N -1 0 635.138 7.472 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967326 553916813 /nfs/dbraw/zinc/91/68/13/553916813.db2.gz QRUCWGBDRFNKLQ-ZAMGYDSWSA-N -1 0 565.420 6.304 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967443 553918501 /nfs/dbraw/zinc/91/85/01/553918501.db2.gz GAAUQLCHNSTAKL-NSYGIPOTSA-N -1 0 599.690 5.723 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967604 553920661 /nfs/dbraw/zinc/92/06/61/553920661.db2.gz YFLJRCRWEHLJFX-OLILMLBXSA-N -1 0 645.778 7.501 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967724 553922094 /nfs/dbraw/zinc/92/20/94/553922094.db2.gz SEAMEGNRXCRTEQ-ROTAYESASA-N -1 0 682.223 8.169 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967722 553922173 /nfs/dbraw/zinc/92/21/73/553922173.db2.gz SEAMEGNRXCRTEQ-UKPGIYTDSA-N -1 0 682.223 8.169 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967755 553922642 /nfs/dbraw/zinc/92/26/42/553922642.db2.gz SLHVHCHXIFFGPA-NGOKVRLYSA-N -1 0 611.745 6.810 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967736 553922851 /nfs/dbraw/zinc/92/28/51/553922851.db2.gz DSYRIIJYHPDRLC-PPGPUPIYSA-N -1 0 760.721 9.221 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(I)cc(I)c2[O-])c1)c1ccco1 ZINC000033353069 553922890 /nfs/dbraw/zinc/92/28/90/553922890.db2.gz NMGNQXJHDKUUJF-UFFVCSGVSA-N -1 0 558.113 5.197 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967786 553923142 /nfs/dbraw/zinc/92/31/42/553923142.db2.gz JEASGVFSLTVXFZ-LFPIHBKWSA-N -1 0 577.456 6.174 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967832 553924092 /nfs/dbraw/zinc/92/40/92/553924092.db2.gz RDIAFZGCJPLFEW-GEFUHLBYSA-N -1 0 740.731 9.067 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967833 553924146 /nfs/dbraw/zinc/92/41/46/553924146.db2.gz RDIAFZGCJPLFEW-PLTNMMHCSA-N -1 0 740.731 9.067 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967881 553924652 /nfs/dbraw/zinc/92/46/52/553924652.db2.gz UIZNVBVRPNRAGH-SANMLTNESA-N -1 0 617.680 6.088 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967902 553924932 /nfs/dbraw/zinc/92/49/32/553924932.db2.gz CSKQGMBJQACUMI-YTTGMZPUSA-N -1 0 762.693 8.669 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097967942 553925330 /nfs/dbraw/zinc/92/53/30/553925330.db2.gz OGSVYENYWTYDNT-DEOSSOPVSA-N -1 0 608.097 6.047 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097967941 553925455 /nfs/dbraw/zinc/92/54/55/553925455.db2.gz OGSVYENYWTYDNT-XMMPIXPASA-N -1 0 608.097 6.047 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097967971 553925623 /nfs/dbraw/zinc/92/56/23/553925623.db2.gz REMPVJBLESSQJG-NDEPHWFRSA-N -1 0 651.722 6.324 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967958 553925695 /nfs/dbraw/zinc/92/56/95/553925695.db2.gz WNGCIBPDCBYSNF-LBEKAKSKSA-N -1 0 710.661 8.207 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968013 553926045 /nfs/dbraw/zinc/92/60/45/553926045.db2.gz NSSLFSKOHWEFPC-AREMUKBSSA-N -1 0 603.697 6.647 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968003 553926058 /nfs/dbraw/zinc/92/60/58/553926058.db2.gz HIGVSZHLKTWPSO-JBEBIEQOSA-N -1 0 628.534 7.383 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968010 553926103 /nfs/dbraw/zinc/92/61/03/553926103.db2.gz GHMSCXKQVUHYJF-NDEPHWFRSA-N -1 0 678.188 7.001 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968034 553926581 /nfs/dbraw/zinc/92/65/81/553926581.db2.gz UHPYSDSZCSBSAF-MHZLTWQESA-N -1 0 666.177 6.835 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968024 553926666 /nfs/dbraw/zinc/92/66/66/553926666.db2.gz JZMCWDYZGCHOLG-NDEPHWFRSA-N -1 0 645.759 6.572 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968080 553927300 /nfs/dbraw/zinc/92/73/00/553927300.db2.gz FXUHWXCZLQFBCA-AREMUKBSSA-N -1 0 603.697 6.647 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968087 553927320 /nfs/dbraw/zinc/92/73/20/553927320.db2.gz HNJNLKSKVQPLNG-YTTGMZPUSA-N -1 0 679.820 7.963 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097968190 553928701 /nfs/dbraw/zinc/92/87/01/553928701.db2.gz GBXTXCSLZRAKCL-JGCGQSQUSA-N -1 0 711.793 7.501 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968223 553929236 /nfs/dbraw/zinc/92/92/36/553929236.db2.gz RCAYTNWITBUXLI-NDEPHWFRSA-N -1 0 645.759 6.490 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097968244 553929517 /nfs/dbraw/zinc/92/95/17/553929517.db2.gz FLIYZQDPDZXOCQ-HHHXNRCGSA-N -1 0 599.734 6.816 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968254 553929635 /nfs/dbraw/zinc/92/96/35/553929635.db2.gz BUYXYRYKBAOYBW-HHHXNRCGSA-N -1 0 633.723 6.703 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968299 553930280 /nfs/dbraw/zinc/93/02/80/553930280.db2.gz MIRKDLLUEFMJRE-AREMUKBSSA-N -1 0 620.152 7.161 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968342 553930785 /nfs/dbraw/zinc/93/07/85/553930785.db2.gz SQWKXVLEBPNVIA-HKBQPEDESA-N -1 0 687.840 7.661 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968387 553932032 /nfs/dbraw/zinc/93/20/32/553932032.db2.gz DNGNDUUIHCQRJL-AREMUKBSSA-N -1 0 636.151 6.827 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968424 553932457 /nfs/dbraw/zinc/93/24/57/553932457.db2.gz PNPNKUAJISYFDB-HSZRJFAPSA-N -1 0 596.061 6.177 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969173 553937367 /nfs/dbraw/zinc/93/73/67/553937367.db2.gz SKRMMPJOKWQXRQ-NPMABZOXSA-N -1 0 581.875 6.819 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969243 553938333 /nfs/dbraw/zinc/93/83/33/553938333.db2.gz LIFASENJOXSXRD-NDEPHWFRSA-N -1 0 621.111 7.081 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969274 553938824 /nfs/dbraw/zinc/93/88/24/553938824.db2.gz QWXFTZGHMPHVBT-ACSYHNTCSA-N -1 0 662.233 8.159 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969293 553939195 /nfs/dbraw/zinc/93/91/95/553939195.db2.gz WUUBQBIYFDFACY-WTYVLRPYSA-N -1 0 613.761 7.116 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969306 553939218 /nfs/dbraw/zinc/93/92/18/553939218.db2.gz IYRWEOCMHHKBJK-QPHCHLROSA-N -1 0 639.129 7.644 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969351 553940039 /nfs/dbraw/zinc/94/00/39/553940039.db2.gz VMQLPWCVMRDZBD-SFDCACGMSA-N -1 0 555.414 6.849 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969350 553940245 /nfs/dbraw/zinc/94/02/45/553940245.db2.gz VMQLPWCVMRDZBD-MYODQAERSA-N -1 0 555.414 6.849 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000097969410 553940806 /nfs/dbraw/zinc/94/08/06/553940806.db2.gz UOQWPEJTJZOHSP-HXUWFJFHSA-N -1 0 592.081 6.757 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969459 553941236 /nfs/dbraw/zinc/94/12/36/553941236.db2.gz FKHCSWFQWHIKRL-NDEPHWFRSA-N -1 0 658.729 6.324 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969795 553944947 /nfs/dbraw/zinc/94/49/47/553944947.db2.gz YHCBRCGWUKOMAX-AFJIDDCJSA-N -1 0 645.778 7.645 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969841 553945912 /nfs/dbraw/zinc/94/59/12/553945912.db2.gz KXGYQRZJBARZSK-WRHNGFHOSA-N -1 0 682.651 8.422 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969892 553946291 /nfs/dbraw/zinc/94/62/91/553946291.db2.gz HPUYVWJNOXGTLP-XMMPIXPASA-N -1 0 578.643 5.361 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969890 553946489 /nfs/dbraw/zinc/94/64/89/553946489.db2.gz CQFCLHSSESUYOL-ROTAYESASA-N -1 0 689.831 7.899 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969909 553946837 /nfs/dbraw/zinc/94/68/37/553946837.db2.gz FGZQKCDTOTUZRF-UKPGIYTDSA-N -1 0 665.768 7.655 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969941 553947207 /nfs/dbraw/zinc/94/72/07/553947207.db2.gz GJLYXBKYSWQUFO-UZTOHYMASA-N -1 0 599.734 6.726 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970096 553949608 /nfs/dbraw/zinc/94/96/08/553949608.db2.gz RHAHLGYFQJIMPY-WOPWWUTRSA-N -1 0 705.858 8.223 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000097970102 553949676 /nfs/dbraw/zinc/94/96/76/553949676.db2.gz OFVBSQLAYFRLNR-NDEPHWFRSA-N -1 0 648.734 6.316 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970160 553950474 /nfs/dbraw/zinc/95/04/74/553950474.db2.gz VKGAEKLAXDFNPT-JCOAXYOVSA-N -1 0 689.831 7.899 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970200 553950864 /nfs/dbraw/zinc/95/08/64/553950864.db2.gz BEQZGUPZGZIKEH-ULKXQASOSA-N -1 0 709.821 8.054 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970250 553951562 /nfs/dbraw/zinc/95/15/62/553951562.db2.gz MHLZOTAOWYRUMM-WHLCRQNOSA-N -1 0 631.751 7.255 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970286 553952045 /nfs/dbraw/zinc/95/20/45/553952045.db2.gz QKPOOZSRHXJWID-BZQUYTCOSA-N -1 0 668.580 7.030 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970278 553952149 /nfs/dbraw/zinc/95/21/49/553952149.db2.gz YLDPHRORZTYZJW-LMKMVOKYSA-N -1 0 606.125 6.599 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970413 553953680 /nfs/dbraw/zinc/95/36/80/553953680.db2.gz PMBWGHQBHSZRTE-MHZLTWQESA-N -1 0 612.660 5.761 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970475 553954620 /nfs/dbraw/zinc/95/46/20/553954620.db2.gz BZLPTEFJJCHWLY-VKGTZQKMSA-N -1 0 648.206 7.769 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970604 553956333 /nfs/dbraw/zinc/95/63/33/553956333.db2.gz CJSBRYRZCMCVEJ-OWJWWREXSA-N -1 0 610.544 7.244 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970603 553956385 /nfs/dbraw/zinc/95/63/85/553956385.db2.gz CJSBRYRZCMCVEJ-MYYSRTQBSA-N -1 0 610.544 7.244 50 30 KKEARM O=C1/C(=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033362763 553957421 /nfs/dbraw/zinc/95/74/21/553957421.db2.gz OLPOSLSWSOWCMK-QLIPUSLZSA-N -1 0 502.390 6.000 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097970980 553959852 /nfs/dbraw/zinc/95/98/52/553959852.db2.gz SWWMGYQBJVKDFO-AREMUKBSSA-N -1 0 603.096 6.952 50 30 KKEARM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000097972057 553965777 /nfs/dbraw/zinc/96/57/77/553965777.db2.gz HKRRMINZERPOCO-QHCPKHFHSA-N -1 0 528.601 7.052 50 30 biogenic KKEARM O=C([O-])c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000097972952 553967725 /nfs/dbraw/zinc/96/77/25/553967725.db2.gz SCFGBURIURDZFF-UHFFFAOYSA-N -1 0 506.161 6.095 50 30 KKEARM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)OCC#N)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000033690087 553968139 /nfs/dbraw/zinc/96/81/39/553968139.db2.gz LTCVSEJRMYXUAJ-UYRXBGFRSA-N -1 0 505.939 5.260 50 30 KKEARM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC ZINC000097982669 554004814 /nfs/dbraw/zinc/00/48/14/554004814.db2.gz XEPZSKZJBMOEQA-QHCPKHFHSA-N -1 0 547.658 5.735 50 30 KKEARM C=CCOc1c(Br)cc(S(=O)(=O)c2cc(Br)c([O-])c(Br)c2)cc1Br ZINC000097982999 554006867 /nfs/dbraw/zinc/00/68/67/554006867.db2.gz IQABBECQJZWHAN-UHFFFAOYSA-N -1 0 605.924 5.840 50 30 KKEARM O=C(/C(=C/c1cc(Br)cc(Br)c1[O-])c1nc2ccccc2s1)c1ccccc1 ZINC000097983462 554009680 /nfs/dbraw/zinc/00/96/80/554009680.db2.gz ALSNOWCEDBEYMD-WJDWOHSUSA-N -1 0 515.226 6.950 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(I)cc4)c3=O)n2)cc1 ZINC000097997701 554040139 /nfs/dbraw/zinc/04/01/39/554040139.db2.gz MVZSSVVORODSHL-BYNJWEBRSA-N -1 0 624.420 5.551 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000097997799 554040503 /nfs/dbraw/zinc/04/05/03/554040503.db2.gz AYJHJWQSOGLZTH-KOEQRZSOSA-N -1 0 612.145 6.597 50 30 KKEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000098000432 554051290 /nfs/dbraw/zinc/05/12/90/554051290.db2.gz AAPOWOBRQSFKDA-ZHZULCJRSA-N -1 0 560.000 5.073 50 30 KKEARM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=Nc3ccc(C)cc3)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000098005852 554059274 /nfs/dbraw/zinc/05/92/74/554059274.db2.gz UXOAJFOTIQOIJS-LJAQVGFWSA-N -1 0 557.603 5.689 50 30 KKEARM CCOC(=O)COc1cc(Br)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000035939915 554101648 /nfs/dbraw/zinc/10/16/48/554101648.db2.gz LVIKAKLWBXRNCU-IZDTYNSGSA-N -1 0 625.497 5.902 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)cc(Br)c1OCC(=O)[O-] ZINC000098043467 554127732 /nfs/dbraw/zinc/12/77/32/554127732.db2.gz DKOOFUCSOKAENI-UHFFFAOYSA-N -1 0 581.301 5.648 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000098045751 554133520 /nfs/dbraw/zinc/13/35/20/554133520.db2.gz PYHXBXJDNGJBOX-RCDICMHDSA-N -1 0 534.565 5.040 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(F)cc2)nc1C ZINC000098045753 554133584 /nfs/dbraw/zinc/13/35/84/554133584.db2.gz PYHXBXJDNGJBOX-JLCFBVMHSA-N -1 0 534.565 5.040 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000098046328 554137946 /nfs/dbraw/zinc/13/79/46/554137946.db2.gz SUZQTMMMZVIVMU-JOCHJYFZSA-N -1 0 536.581 5.423 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000098046370 554138283 /nfs/dbraw/zinc/13/82/83/554138283.db2.gz WSUMDVRJUVQGFM-HXUWFJFHSA-N -1 0 557.422 5.217 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046444 554138859 /nfs/dbraw/zinc/13/88/59/554138859.db2.gz WMGQRFUWGHGMAN-RUZDIDTESA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046424 554138875 /nfs/dbraw/zinc/13/88/75/554138875.db2.gz SGMACPNDFDPLBZ-HHHXNRCGSA-N -1 0 682.220 7.471 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046469 554139453 /nfs/dbraw/zinc/13/94/53/554139453.db2.gz BRPXKFOPPZRBOH-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046507 554139833 /nfs/dbraw/zinc/13/98/33/554139833.db2.gz DHJJKNKQKKEPCW-NDEPHWFRSA-N -1 0 660.148 8.207 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046526 554140163 /nfs/dbraw/zinc/14/01/63/554140163.db2.gz YCVDMMBWNYISBV-NDEPHWFRSA-N -1 0 611.745 7.847 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046528 554140242 /nfs/dbraw/zinc/14/02/42/554140242.db2.gz BVWZVJZTHHOMGK-VWLOTQADSA-N -1 0 569.664 6.677 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000098046534 554140300 /nfs/dbraw/zinc/14/03/00/554140300.db2.gz CYDPTUQBZATDPX-QHCPKHFHSA-N -1 0 560.056 7.013 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000098046593 554141189 /nfs/dbraw/zinc/14/11/89/554141189.db2.gz GKSYYBJSRXPQGP-NRFANRHFSA-N -1 0 570.117 6.727 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046664 554142008 /nfs/dbraw/zinc/14/20/08/554142008.db2.gz IBTRNCISXPXAAR-QFIPXVFZSA-N -1 0 565.604 5.498 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047259 554148338 /nfs/dbraw/zinc/14/83/38/554148338.db2.gz HLSDWWUCOUULJD-SSEXGKCCSA-N -1 0 704.201 8.002 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047255 554148413 /nfs/dbraw/zinc/14/84/13/554148413.db2.gz NTHRRUKXTQDSBT-SSEXGKCCSA-N -1 0 687.746 7.488 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000098047268 554148850 /nfs/dbraw/zinc/14/88/50/554148850.db2.gz PWSNIRYZAGVXPO-YTTGMZPUSA-N -1 0 699.826 8.348 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047347 554149533 /nfs/dbraw/zinc/14/95/33/554149533.db2.gz VYSZOHXMZXSPCO-SANMLTNESA-N -1 0 605.713 6.940 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047374 554149981 /nfs/dbraw/zinc/14/99/81/554149981.db2.gz CWPQKJZIKPFBJR-WJOKGBTCSA-N -1 0 649.794 8.585 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccs2)cc1F ZINC000098047393 554150546 /nfs/dbraw/zinc/15/05/46/554150546.db2.gz KMWQOFWZFBCZLI-FQEVSTJZSA-N -1 0 523.636 6.122 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047460 554151272 /nfs/dbraw/zinc/15/12/72/554151272.db2.gz MGUPLUGMFXZFDC-AREMUKBSSA-N -1 0 633.723 6.718 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047453 554151336 /nfs/dbraw/zinc/15/13/36/554151336.db2.gz RVMPYFFFSIADBS-PMERELPUSA-N -1 0 678.276 9.015 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047506 554151749 /nfs/dbraw/zinc/15/17/49/554151749.db2.gz LALRWFWYSDVUDO-SANMLTNESA-N -1 0 633.723 6.718 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047496 554151757 /nfs/dbraw/zinc/15/17/57/554151757.db2.gz RJVHVTHLZURKSH-YTTGMZPUSA-N -1 0 681.811 8.510 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047527 554152275 /nfs/dbraw/zinc/15/22/75/554152275.db2.gz OFCCOXSNGPHSMG-MHZLTWQESA-N -1 0 622.740 6.633 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000098047514 554152312 /nfs/dbraw/zinc/15/23/12/554152312.db2.gz NKTLTJXPCKAQNQ-LJAQVGFWSA-N -1 0 650.794 7.558 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047558 554152577 /nfs/dbraw/zinc/15/25/77/554152577.db2.gz OXHCHAIZNQBQIK-HKBQPEDESA-N -1 0 691.847 8.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047553 554152655 /nfs/dbraw/zinc/15/26/55/554152655.db2.gz XVADDYIEWIKOHF-WJOKGBTCSA-N -1 0 691.847 8.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047545 554152737 /nfs/dbraw/zinc/15/27/37/554152737.db2.gz GKFYYDNANHCUHI-HHHXNRCGSA-N -1 0 622.740 6.778 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047596 554152951 /nfs/dbraw/zinc/15/29/51/554152951.db2.gz ABUIDBDXTIJAEZ-UMSFTDKQSA-N -1 0 715.938 9.458 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000098047584 554153114 /nfs/dbraw/zinc/15/31/14/554153114.db2.gz QACPYMUDLLVQHL-YTTGMZPUSA-N -1 0 722.329 9.413 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047620 554153411 /nfs/dbraw/zinc/15/34/11/554153411.db2.gz GEPLOKGORSXFEI-NDEPHWFRSA-N -1 0 615.777 7.499 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047619 554153499 /nfs/dbraw/zinc/15/34/99/554153499.db2.gz GEPLOKGORSXFEI-MUUNZHRXSA-N -1 0 615.777 7.499 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047643 554153969 /nfs/dbraw/zinc/15/39/69/554153969.db2.gz XKDCLKAXDITKTK-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047663 554154414 /nfs/dbraw/zinc/15/44/14/554154414.db2.gz PRLVOKJWSIDADR-HHHXNRCGSA-N -1 0 636.195 7.844 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000098047660 554154499 /nfs/dbraw/zinc/15/44/99/554154499.db2.gz STRUDZQVDCIZJQ-LJAQVGFWSA-N -1 0 648.778 7.334 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098047761 554155697 /nfs/dbraw/zinc/15/56/97/554155697.db2.gz DCBDTGFNIZMVMP-MGBGTMOVSA-N -1 0 673.791 8.793 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047811 554156434 /nfs/dbraw/zinc/15/64/34/554156434.db2.gz BEHDQVVIWQFKQH-JGCGQSQUSA-N -1 0 681.836 8.353 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047815 554156446 /nfs/dbraw/zinc/15/64/46/554156446.db2.gz LLHSQHMOKDLPIC-SSEXGKCCSA-N -1 0 653.782 7.573 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047891 554157357 /nfs/dbraw/zinc/15/73/57/554157357.db2.gz BADJKFCGQCSIHM-RUZDIDTESA-N -1 0 599.621 5.817 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047894 554157416 /nfs/dbraw/zinc/15/74/16/554157416.db2.gz FEZYARZZXQBEKB-VWLOTQADSA-N -1 0 599.621 5.817 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)nc1C ZINC000098048010 554158389 /nfs/dbraw/zinc/15/83/89/554158389.db2.gz DZSWCNPWKYVLBV-XMMPIXPASA-N -1 0 544.654 6.386 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C ZINC000098047984 554158403 /nfs/dbraw/zinc/15/84/03/554158403.db2.gz KRTVAHOSUCURNE-QHCPKHFHSA-N -1 0 539.629 6.017 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=[NH+]n2c3ccc(C(=O)[O-])cc3nc2[C@H]1S(=O)(=O)[O-] ZINC000098050350 554174069 /nfs/dbraw/zinc/17/40/69/554174069.db2.gz ROBQHBPXOIYPMS-VWLOTQADSA-N -1 0 519.708 7.143 50 30 KKEARM Cc1ccc2sc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)nc2c1 ZINC000100033417 554187332 /nfs/dbraw/zinc/18/73/32/554187332.db2.gz VYIBYFZKFRGDHG-BHGWPJFGSA-N -1 0 596.231 6.937 50 30 KKEARM O=C([O-])[C@H](Cc1ccc(Nc2nccc3ccncc32)cc1)NC1=C(Br)C(=O)C12CCCCC2 ZINC000100041912 554192634 /nfs/dbraw/zinc/19/26/34/554192634.db2.gz KYHVWHYLKOHLKA-FQEVSTJZSA-N -1 0 521.415 5.098 50 30 KKEARM CCCCCCCC[N-]C(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100045916 554193491 /nfs/dbraw/zinc/19/34/91/554193491.db2.gz GVNXTSFNUSLHNK-JQWIXIFHSA-N -1 0 607.301 7.336 50 30 KKEARM CCCCCCCC[N-]C(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100045921 554193561 /nfs/dbraw/zinc/19/35/61/554193561.db2.gz GVNXTSFNUSLHNK-PWSUYJOCSA-N -1 0 607.301 7.336 50 30 KKEARM CCCCCCCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-] ZINC000100049318 554194381 /nfs/dbraw/zinc/19/43/81/554194381.db2.gz ICAXUQIEOXHXKK-NDEPHWFRSA-N -1 0 562.854 8.341 50 30 KKEARM C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)c1ccccc1 ZINC000100055826 554196185 /nfs/dbraw/zinc/19/61/85/554196185.db2.gz UKCCSKIIBFQBES-YOGAUDJFSA-N -1 0 605.377 7.247 50 30 KKEARM O=C([O-])c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000100098469 554219208 /nfs/dbraw/zinc/21/92/08/554219208.db2.gz WZYJANZQIJZYAB-UHFFFAOYSA-N -1 0 568.179 7.246 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100105682 554220488 /nfs/dbraw/zinc/22/04/88/554220488.db2.gz UYPUUMWCYVCAEB-JHCXFHMGSA-N -1 0 559.978 5.713 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl ZINC000100149543 554231377 /nfs/dbraw/zinc/23/13/77/554231377.db2.gz JAEONEOMKMVYLR-KOEQRZSOSA-N -1 0 509.216 6.070 50 30 KKEARM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000100228778 554254364 /nfs/dbraw/zinc/25/43/64/554254364.db2.gz WMDPZUUAGVOOAO-RIYZIHGNSA-N -1 0 603.265 5.393 50 30 KKEARM C=CCOc1c(Br)c(Br)c(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1OCC ZINC000100230575 554256375 /nfs/dbraw/zinc/25/63/75/554256375.db2.gz VJPQHXTXSUWAJP-GZTJUZNOSA-N -1 0 564.230 5.679 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000100236218 554258361 /nfs/dbraw/zinc/25/83/61/554258361.db2.gz ORPNVZUSOCPRDW-BKTOMTFNSA-N -1 0 609.542 7.528 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3cc(Br)c([O-])c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000100260238 554265303 /nfs/dbraw/zinc/26/53/03/554265303.db2.gz HJHFTBKAIXUWKR-NSSJTHLCSA-N -1 0 540.277 6.186 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053290929 554331613 /nfs/dbraw/zinc/33/16/13/554331613.db2.gz ACDYQKKXHCXQBS-NRFANRHFSA-N -1 0 522.604 5.557 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053291957 554331896 /nfs/dbraw/zinc/33/18/96/554331896.db2.gz UFVXJSUSGBPEOB-JOCHJYFZSA-N -1 0 522.604 5.557 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053292051 554332420 /nfs/dbraw/zinc/33/24/20/554332420.db2.gz DTQMJHDGTFBGET-QFIPXVFZSA-N -1 0 569.864 6.894 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000053305942 554333049 /nfs/dbraw/zinc/33/30/49/554333049.db2.gz UWIPQGCYRGWLSD-HSZRJFAPSA-N -1 0 534.565 5.634 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1cccs1 ZINC000053307066 554334701 /nfs/dbraw/zinc/33/47/01/554334701.db2.gz WDYONMREQQWWIS-GOSISDBHSA-N -1 0 515.385 6.042 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053307954 554335420 /nfs/dbraw/zinc/33/54/20/554335420.db2.gz VKUYIOYCAAFVHJ-QHCPKHFHSA-N -1 0 551.020 6.149 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053319098 554336012 /nfs/dbraw/zinc/33/60/12/554336012.db2.gz KRQPUWMXTKLLDP-IBGZPJMESA-N -1 0 557.422 5.101 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053319172 554336098 /nfs/dbraw/zinc/33/60/98/554336098.db2.gz LBUJHUFWOPVDSR-NRFANRHFSA-N -1 0 583.460 5.657 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053319138 554336300 /nfs/dbraw/zinc/33/63/00/554336300.db2.gz MABUGCGPXXNHPR-FQEVSTJZSA-N -1 0 571.449 5.491 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000053319265 554336985 /nfs/dbraw/zinc/33/69/85/554336985.db2.gz FDZRNWYAFWRNEW-FQEVSTJZSA-N -1 0 527.346 6.120 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319368 554337577 /nfs/dbraw/zinc/33/75/77/554337577.db2.gz JIAXPXPPHWDXHU-IBGZPJMESA-N -1 0 547.416 5.645 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000053319444 554337959 /nfs/dbraw/zinc/33/79/59/554337959.db2.gz WBSLOXSKPVVQQG-NRFANRHFSA-N -1 0 541.025 5.770 50 30 KKEARM CC(C)(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3cc(Cl)ccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053319517 554338726 /nfs/dbraw/zinc/33/87/26/554338726.db2.gz HTESLVSIKXNDFH-MNAQKMTRSA-N -1 0 591.535 8.056 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053332776 554338939 /nfs/dbraw/zinc/33/89/39/554338939.db2.gz KPMWPDPOWMIAOO-JOCHJYFZSA-N -1 0 553.865 7.058 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053332114 554338958 /nfs/dbraw/zinc/33/89/58/554338958.db2.gz DUMLNVTXEMCNIV-HXUWFJFHSA-N -1 0 526.567 5.306 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053332632 554339091 /nfs/dbraw/zinc/33/90/91/554339091.db2.gz CKBLOMPTIFNWSX-JOCHJYFZSA-N -1 0 583.847 6.266 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053335138 554340618 /nfs/dbraw/zinc/34/06/18/554340618.db2.gz UXNXECJAXBITRD-HSZRJFAPSA-N -1 0 562.987 5.290 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000053336173 554341545 /nfs/dbraw/zinc/34/15/45/554341545.db2.gz LNQZNUDMBPKCKD-DEOSSOPVSA-N -1 0 567.450 6.774 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053336927 554341828 /nfs/dbraw/zinc/34/18/28/554341828.db2.gz HFRJFKWGJXPHIU-NRFANRHFSA-N -1 0 583.460 5.657 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053336616 554341914 /nfs/dbraw/zinc/34/19/14/554341914.db2.gz JEASGVFSLTVXFZ-SHACYNPGSA-N -1 0 577.456 6.174 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000053338361 554342753 /nfs/dbraw/zinc/34/27/53/554342753.db2.gz PQBQJRXTCXAMDG-HXUWFJFHSA-N -1 0 558.182 5.903 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000053338375 554342770 /nfs/dbraw/zinc/34/27/70/554342770.db2.gz JKHULBWXFFZRSE-OAQYLSRUSA-N -1 0 552.992 5.002 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053340435 554344147 /nfs/dbraw/zinc/34/41/47/554344147.db2.gz KWUCMKWMFUQMTQ-NRFANRHFSA-N -1 0 538.603 5.175 50 30 KKEARM O=C([O-])c1cccc(NN=Cc2cc(Br)cc(I)c2OCc2ccccc2)c1 ZINC000100443730 554393967 /nfs/dbraw/zinc/39/39/67/554393967.db2.gz OGZFEHXAGSMWGP-MSXFZWOLSA-N -1 0 551.178 5.777 50 30 KKEARM O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N\[O-] ZINC000100467844 554398122 /nfs/dbraw/zinc/39/81/22/554398122.db2.gz VWIJQSMJFIANJG-IPPBACCNSA-N -1 0 561.269 5.335 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000100499674 554405255 /nfs/dbraw/zinc/40/52/55/554405255.db2.gz AYBVTCUUMHGCGU-YSURURNPSA-N -1 0 506.581 7.129 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000100507760 554408149 /nfs/dbraw/zinc/40/81/49/554408149.db2.gz IUSZSVVKDOQIEC-BYNJWEBRSA-N -1 0 532.423 5.800 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000100580070 554424751 /nfs/dbraw/zinc/42/47/51/554424751.db2.gz HZLINTMBPGABGV-OAQYLSRUSA-N -1 0 532.312 6.259 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000100674852 554443287 /nfs/dbraw/zinc/44/32/87/554443287.db2.gz GSWPFYGUFUCTIN-XMMPIXPASA-N -1 0 566.651 6.365 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677248 554444199 /nfs/dbraw/zinc/44/41/99/554444199.db2.gz VZBJISYNXUODGK-DEOSSOPVSA-N -1 0 582.650 6.046 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677292 554444653 /nfs/dbraw/zinc/44/46/53/554444653.db2.gz YCFSLPJJEAMVOS-MHZLTWQESA-N -1 0 606.741 7.159 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677758 554444906 /nfs/dbraw/zinc/44/49/06/554444906.db2.gz WDECYXKUTDQVRG-AREMUKBSSA-N -1 0 610.704 6.826 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100679925 554445990 /nfs/dbraw/zinc/44/59/90/554445990.db2.gz IORQQTLUINFXBR-SANMLTNESA-N -1 0 592.714 6.769 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679934 554446010 /nfs/dbraw/zinc/44/60/10/554446010.db2.gz RNWKDQAOGXNEBQ-NDEPHWFRSA-N -1 0 636.767 7.168 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000100680319 554446553 /nfs/dbraw/zinc/44/65/53/554446553.db2.gz VKUNHJRFUUZICL-HSZRJFAPSA-N -1 0 550.608 5.895 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCC)cc2)nc1C ZINC000100680391 554446760 /nfs/dbraw/zinc/44/67/60/554446760.db2.gz HJOCTBZTLYXUMC-MHZLTWQESA-N -1 0 604.725 6.935 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100681078 554447223 /nfs/dbraw/zinc/44/72/23/554447223.db2.gz QRWWLVXVVJSXHA-OAQYLSRUSA-N -1 0 541.025 5.853 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100681572 554447827 /nfs/dbraw/zinc/44/78/27/554447827.db2.gz ZVCQVQGGOXAVNU-HSZRJFAPSA-N -1 0 566.607 5.432 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100681566 554447845 /nfs/dbraw/zinc/44/78/45/554447845.db2.gz ZVCQVQGGOXAVNU-QHCPKHFHSA-N -1 0 566.607 5.432 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100681482 554447876 /nfs/dbraw/zinc/44/78/76/554447876.db2.gz NPLSQTCNIKPYGC-QFIPXVFZSA-N -1 0 552.580 5.042 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100681468 554447919 /nfs/dbraw/zinc/44/79/19/554447919.db2.gz KEFDCBSJFMVLBF-FQEVSTJZSA-N -1 0 571.424 5.787 50 30 KKEARM CCCCCCCCCCCCOc1ccccc1[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O ZINC000100813133 554475522 /nfs/dbraw/zinc/47/55/22/554475522.db2.gz JOPZQLTVGBHRJJ-UHFFFAOYSA-N -1 0 514.688 6.024 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000100891161 554511997 /nfs/dbraw/zinc/51/19/97/554511997.db2.gz FBANEWQEXNESHV-GKVSMKOHSA-N -1 0 526.574 5.807 50 30 KKEARM CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@H](O)CO)OC(=O)CCCCCCCCCCC ZINC000064633974 554513400 /nfs/dbraw/zinc/51/34/00/554513400.db2.gz LHCZDUCPSRJDJT-VSGBNLITSA-N -1 0 610.766 6.770 50 30 in-vitro KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000100934020 554528632 /nfs/dbraw/zinc/52/86/32/554528632.db2.gz YHUYJPMALAJVIU-SANMLTNESA-N -1 0 563.498 5.983 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000101016434 554560408 /nfs/dbraw/zinc/56/04/08/554560408.db2.gz RCFORVWNBSQWFZ-UHFFFAOYSA-N -1 0 547.718 7.521 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062612 554570632 /nfs/dbraw/zinc/57/06/32/554570632.db2.gz GLKMSWGKXIYXCP-UYTDBDHRSA-N -1 0 510.196 5.839 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069780 554574072 /nfs/dbraw/zinc/57/40/72/554574072.db2.gz APGDBIZAZADHIX-MRJHHRETSA-N -1 0 584.289 6.756 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069786 554574101 /nfs/dbraw/zinc/57/41/01/554574101.db2.gz IOFPYUIMNHASGV-MRJHHRETSA-N -1 0 523.383 6.133 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069929 554574626 /nfs/dbraw/zinc/57/46/26/554574626.db2.gz NVTOBINSSBYJKF-LFVOPCPISA-N -1 0 514.173 5.233 50 30 KKEARM O=c1c(N=Nc2ccc(Br)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101075740 554577246 /nfs/dbraw/zinc/57/72/46/554577246.db2.gz FPFZDWUQBJFFCA-SLMZUGIISA-N -1 0 547.394 5.700 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101100216 554587134 /nfs/dbraw/zinc/58/71/34/554587134.db2.gz RVBHOWOBCZWXDF-MRJHHRETSA-N -1 0 523.383 6.133 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Br)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101100624 554587694 /nfs/dbraw/zinc/58/76/94/554587694.db2.gz DDZZJEUQKSTBJO-GKVSMKOHSA-N -1 0 560.473 6.661 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101100621 554587699 /nfs/dbraw/zinc/58/76/99/554587699.db2.gz DDZZJEUQKSTBJO-CRICUBBOSA-N -1 0 560.473 6.661 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccccc1 ZINC000101101547 554638802 /nfs/dbraw/zinc/63/88/02/554638802.db2.gz CGLBSFAUMHAGGJ-NHFXJNLRSA-N -1 0 509.356 5.824 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000101124681 554644654 /nfs/dbraw/zinc/64/46/54/554644654.db2.gz FFMOCDDFFXMXNN-WLUIYZDRSA-N -1 0 513.681 6.462 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000101130042 554649157 /nfs/dbraw/zinc/64/91/57/554649157.db2.gz MHRDFAOOZDADJR-HKOYGPOVSA-N -1 0 533.675 5.950 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000101276750 554702855 /nfs/dbraw/zinc/70/28/55/554702855.db2.gz BADIEQIZDFLCOX-UUALVTFQSA-N -1 0 596.661 6.530 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000101276839 554703458 /nfs/dbraw/zinc/70/34/58/554703458.db2.gz LVURCVKOGLSEJK-CZNAVJSXSA-N -1 0 604.681 5.617 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000101277258 554703579 /nfs/dbraw/zinc/70/35/79/554703579.db2.gz QNTISAPCPDVSGC-MRJHHRETSA-N -1 0 573.454 6.044 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000101277895 554704121 /nfs/dbraw/zinc/70/41/21/554704121.db2.gz LNXHSGZEHYJOAG-MRJHHRETSA-N -1 0 539.009 5.391 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000101277934 554704135 /nfs/dbraw/zinc/70/41/35/554704135.db2.gz LKRNPROCICLMLG-UUALVTFQSA-N -1 0 598.652 6.447 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000101278010 554704557 /nfs/dbraw/zinc/70/45/57/554704557.db2.gz KRZZUAHBOWTEEX-UUALVTFQSA-N -1 0 625.659 6.216 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310408 554717788 /nfs/dbraw/zinc/71/77/88/554717788.db2.gz CUPJYDLIYNXPMD-NPJIAGGLSA-N -1 0 576.627 5.015 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316807 554723837 /nfs/dbraw/zinc/72/38/37/554723837.db2.gz MAIZFVSGDGCONO-YFVVEFNMSA-N -1 0 611.745 6.653 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338285 554734803 /nfs/dbraw/zinc/73/48/03/554734803.db2.gz GAYRNVZLIZHZPE-RUZDIDTESA-N -1 0 610.132 7.503 50 30 KKEARM CCOC(=O)COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000102052271 554871610 /nfs/dbraw/zinc/87/16/10/554871610.db2.gz HBVMTMZJCUFXAG-ACSYHNTCSA-N -1 0 583.666 5.841 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1OC ZINC000102052478 554871641 /nfs/dbraw/zinc/87/16/41/554871641.db2.gz NNARSPIERZYGBO-MRDQGFSESA-N -1 0 571.655 5.924 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1OCC(=O)OC(C)C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052294 554871651 /nfs/dbraw/zinc/87/16/51/554871651.db2.gz BMKYYBHYHGXBCS-WENCNXQZSA-N -1 0 597.693 6.229 50 30 KKEARM COc1cc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OCc1ccccc1 ZINC000102052538 554872000 /nfs/dbraw/zinc/87/20/00/554872000.db2.gz YCMZMMLDUXLBBH-IANOAQMISA-N -1 0 617.727 7.486 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102482405 554937422 /nfs/dbraw/zinc/93/74/22/554937422.db2.gz GHNJWVNOUPYKCC-YDJIHCHBSA-N -1 0 526.567 5.149 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102485425 554938303 /nfs/dbraw/zinc/93/83/03/554938303.db2.gz IDIXHTOWZOPXEH-AYWGPLOBSA-N -1 0 536.993 5.602 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102486498 554938565 /nfs/dbraw/zinc/93/85/65/554938565.db2.gz ITWUPDWDSDUAQK-IUKMQXEJSA-N -1 0 527.602 5.369 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102508617 554945689 /nfs/dbraw/zinc/94/56/89/554945689.db2.gz IIWBMUDXATWXES-JBCNATCCSA-N -1 0 508.502 5.218 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102510047 554945995 /nfs/dbraw/zinc/94/59/95/554945995.db2.gz HLHRHTWMUFNPNX-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102509685 554946071 /nfs/dbraw/zinc/94/60/71/554946071.db2.gz QFSJHZDVBZNSFV-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102514872 554947634 /nfs/dbraw/zinc/94/76/34/554947634.db2.gz BAXWSKAJUAIAGB-MRJHHRETSA-N -1 0 521.938 5.493 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102520932 554949689 /nfs/dbraw/zinc/94/96/89/554949689.db2.gz GTFPQGOJJCYBDT-JBCNATCCSA-N -1 0 521.938 5.493 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102532907 554954816 /nfs/dbraw/zinc/95/48/16/554954816.db2.gz WAUFAOJREBAWGA-MOBKVPTQSA-N -1 0 506.967 5.593 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000102541565 554957618 /nfs/dbraw/zinc/95/76/18/554957618.db2.gz QMIGEHRMHWLIFL-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102544480 554958461 /nfs/dbraw/zinc/95/84/61/554958461.db2.gz GEKZIOYNCCYTPI-QMMFTLRZSA-N -1 0 606.656 6.885 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000102545161 554958713 /nfs/dbraw/zinc/95/87/13/554958713.db2.gz KWZLMAJOFFYXMX-NHFXJNLRSA-N -1 0 504.593 5.062 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102549015 554960750 /nfs/dbraw/zinc/96/07/50/554960750.db2.gz IHLGVABHKNTKTQ-AIKCTZLLSA-N -1 0 577.634 6.058 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1cccs1 ZINC000102555912 554964381 /nfs/dbraw/zinc/96/43/81/554964381.db2.gz MNZFGGHGPKVYSQ-WOOAAIBNSA-N -1 0 507.618 5.224 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102556248 554964770 /nfs/dbraw/zinc/96/47/70/554964770.db2.gz KCGQOJOZVAIBLA-WRPQUVRJSA-N -1 0 610.544 7.087 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102558373 554965816 /nfs/dbraw/zinc/96/58/16/554965816.db2.gz AFCBXSBZWIIEOU-KYWXLPDZSA-N -1 0 520.969 6.039 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102559738 554967265 /nfs/dbraw/zinc/96/72/65/554967265.db2.gz NGMVHKOWQNYCSI-CZNAVJSXSA-N -1 0 613.648 6.050 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(O)cc3)s2)cc1 ZINC000102560138 554967621 /nfs/dbraw/zinc/96/76/21/554967621.db2.gz SQKTUCBMBBYLFU-NHFXJNLRSA-N -1 0 505.577 5.064 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000102562806 554968544 /nfs/dbraw/zinc/96/85/44/554968544.db2.gz KVMCPPUIPLTJSY-SBXHHDGASA-N -1 0 555.612 5.147 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102592499 554974109 /nfs/dbraw/zinc/97/41/09/554974109.db2.gz UUTAFOWEYWXXED-CZNAVJSXSA-N -1 0 601.706 5.935 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000102592393 554974221 /nfs/dbraw/zinc/97/42/21/554974221.db2.gz WISVYORFJZHGNZ-NXLSWJSLSA-N -1 0 575.643 5.675 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597115 554977000 /nfs/dbraw/zinc/97/70/00/554977000.db2.gz KLZICPNUCOCDTQ-IUKMQXEJSA-N -1 0 587.679 5.627 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102608451 554980486 /nfs/dbraw/zinc/98/04/86/554980486.db2.gz KZGDUITVDOHHDH-SBXHHDGASA-N -1 0 591.642 5.376 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102609256 554980798 /nfs/dbraw/zinc/98/07/98/554980798.db2.gz YJDFTQYKTFCXTP-NPJIAGGLSA-N -1 0 605.669 5.766 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102613404 554982841 /nfs/dbraw/zinc/98/28/41/554982841.db2.gz VANZAGWJSKULGX-HOGKFDNTSA-N -1 0 540.797 5.906 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102617199 554984765 /nfs/dbraw/zinc/98/47/65/554984765.db2.gz IKSNEODYSOWWSJ-LJQANCHMSA-N -1 0 531.417 6.026 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102618013 554985275 /nfs/dbraw/zinc/98/52/75/554985275.db2.gz GZTAKLYNCQFNEE-AYWGPLOBSA-N -1 0 594.070 5.587 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102618534 554985569 /nfs/dbraw/zinc/98/55/69/554985569.db2.gz VJLBQZQUJWCPMJ-WAUVLBAPSA-N -1 0 508.983 5.257 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102651005 554996003 /nfs/dbraw/zinc/99/60/03/554996003.db2.gz ZMAUQISYADBSRA-YMCWBSDSSA-N -1 0 547.976 5.808 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102654387 554997812 /nfs/dbraw/zinc/99/78/12/554997812.db2.gz WBYWHIBBVMKTGF-RSERVXPISA-N -1 0 571.869 7.206 50 30 KKEARM COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102655700 554998288 /nfs/dbraw/zinc/99/82/88/554998288.db2.gz BNMMBKYWTOHHDV-RXVNBYBTSA-N -1 0 586.666 5.889 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655704 554998424 /nfs/dbraw/zinc/99/84/24/554998424.db2.gz ZVQJCOXIKWSBPM-UUALVTFQSA-N -1 0 614.676 5.769 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102695307 555010790 /nfs/dbraw/zinc/01/07/90/555010790.db2.gz ACZHMTFISZNXNG-NXLSWJSLSA-N -1 0 542.573 5.268 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102700141 555012701 /nfs/dbraw/zinc/01/27/01/555012701.db2.gz MQJCMPFZYBETQB-HOGKFDNTSA-N -1 0 502.548 5.173 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102716239 555018890 /nfs/dbraw/zinc/01/88/90/555018890.db2.gz SQHIGWBEZBTIAS-AYWGPLOBSA-N -1 0 533.005 5.925 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102733463 555024373 /nfs/dbraw/zinc/02/43/73/555024373.db2.gz CVXZFCNSWDNFPD-ZHHPLPSFSA-N -1 0 504.995 6.147 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102734021 555024719 /nfs/dbraw/zinc/02/47/19/555024719.db2.gz GZXOZMNNXWFGTI-LFVOPCPISA-N -1 0 503.736 5.034 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736983 555026410 /nfs/dbraw/zinc/02/64/10/555026410.db2.gz UXLVVDZMFOWANP-JFTLGNCFSA-N -1 0 557.584 5.553 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736942 555026452 /nfs/dbraw/zinc/02/64/52/555026452.db2.gz CSORDWJNGNFVGM-XLNMUAQOSA-N -1 0 531.521 5.293 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737013 555026522 /nfs/dbraw/zinc/02/65/22/555026522.db2.gz HZBMRQDECDMLNG-HAQIDCBSSA-N -1 0 557.584 5.553 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770822 555058189 /nfs/dbraw/zinc/05/81/89/555058189.db2.gz WCUOGRPSJCNIPT-KYWXLPDZSA-N -1 0 581.875 6.662 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770795 555058297 /nfs/dbraw/zinc/05/82/97/555058297.db2.gz POKKWNQXRAOCJH-GMBUILNLSA-N -1 0 551.451 6.861 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770824 555058327 /nfs/dbraw/zinc/05/83/27/555058327.db2.gz WCUOGRPSJCNIPT-FECHNCLXSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771059 555059262 /nfs/dbraw/zinc/05/92/62/555059262.db2.gz KMCXZOAGTOMQQS-FECHNCLXSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771106 555059715 /nfs/dbraw/zinc/05/97/15/555059715.db2.gz KSIJWZJCDYZFEB-YMCWBSDSSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771318 555060351 /nfs/dbraw/zinc/06/03/51/555060351.db2.gz SIHLOBQMBVIWPL-CIKQMSCWSA-N -1 0 576.099 6.434 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102771441 555060460 /nfs/dbraw/zinc/06/04/60/555060460.db2.gz NNQBECOHYBXCFG-OTQMSCLFSA-N -1 0 573.671 6.228 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000102771542 555060543 /nfs/dbraw/zinc/06/05/43/555060543.db2.gz NOBWSQFCHBHUCV-HEWWQJFPSA-N -1 0 509.008 5.961 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102860181 555090334 /nfs/dbraw/zinc/09/03/34/555090334.db2.gz GUKYHZIZBOLWDS-WOOAAIBNSA-N -1 0 527.421 5.755 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102862219 555092349 /nfs/dbraw/zinc/09/23/49/555092349.db2.gz VDQABNRLQFWCAL-NXLSWJSLSA-N -1 0 515.566 5.499 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864210 555093906 /nfs/dbraw/zinc/09/39/06/555093906.db2.gz MQVHEJDUCDJWAH-AYWGPLOBSA-N -1 0 520.563 5.240 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102865129 555094807 /nfs/dbraw/zinc/09/48/07/555094807.db2.gz HAZKIRBYKNWTHQ-HOGKFDNTSA-N -1 0 506.967 5.593 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102866294 555095439 /nfs/dbraw/zinc/09/54/39/555095439.db2.gz VCBSJWBDZVGMJI-MOBKVPTQSA-N -1 0 538.597 5.491 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102870338 555100486 /nfs/dbraw/zinc/10/04/86/555100486.db2.gz ALLZZIQAGJZKAE-TXTDGAROSA-N -1 0 621.111 6.925 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102872958 555103520 /nfs/dbraw/zinc/10/35/20/555103520.db2.gz KGDINQBMIOGYCN-SBXHHDGASA-N -1 0 544.585 5.117 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102872977 555103550 /nfs/dbraw/zinc/10/35/50/555103550.db2.gz LHAHKLURDVJANK-MRJHHRETSA-N -1 0 521.392 5.694 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102873888 555104014 /nfs/dbraw/zinc/10/40/14/555104014.db2.gz NNMXLJJJKUDOAV-SBXHHDGASA-N -1 0 534.565 5.478 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102873800 555104044 /nfs/dbraw/zinc/10/40/44/555104044.db2.gz ADSHLROOOJUMMC-WOOAAIBNSA-N -1 0 517.415 6.300 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102875223 555105306 /nfs/dbraw/zinc/10/53/06/555105306.db2.gz XDMTXKHCNGRSMV-YDJIHCHBSA-N -1 0 509.356 5.824 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102879710 555108725 /nfs/dbraw/zinc/10/87/25/555108725.db2.gz XBIIYTMOIATXSP-ZHHPLPSFSA-N -1 0 561.015 6.310 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102884370 555113219 /nfs/dbraw/zinc/11/32/19/555113219.db2.gz DZOLFQSCZGSZRU-AYWGPLOBSA-N -1 0 534.977 5.356 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102884529 555113390 /nfs/dbraw/zinc/11/33/90/555113390.db2.gz WZDSJZYFPBNZRD-RQBWANKVSA-N -1 0 539.009 5.231 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887432 555119206 /nfs/dbraw/zinc/11/92/06/555119206.db2.gz SQBOGJXESIFOPF-XVTRYDTASA-N -1 0 606.697 5.765 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887808 555120126 /nfs/dbraw/zinc/12/01/26/555120126.db2.gz JLYOKVIJEMEGHU-JLPDLQRYSA-N -1 0 599.734 6.569 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887779 555120153 /nfs/dbraw/zinc/12/01/53/555120153.db2.gz SEEXHYXBJFGPBG-OGHRCCBNSA-N -1 0 617.680 5.706 50 30 KKEARM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888343 555121402 /nfs/dbraw/zinc/12/14/02/555121402.db2.gz NBSOEEJUHDOXQV-HWTUVFLMSA-N -1 0 584.694 6.742 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888628 555121853 /nfs/dbraw/zinc/12/18/53/555121853.db2.gz YBLJCKVYHLNPIU-ROBPHKHBSA-N -1 0 617.724 6.708 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccccc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102890008 555124815 /nfs/dbraw/zinc/12/48/15/555124815.db2.gz OPNFMGPPXFAOOP-MOBKVPTQSA-N -1 0 504.951 5.347 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891196 555126843 /nfs/dbraw/zinc/12/68/43/555126843.db2.gz HCGBABHEXWJFNQ-QNIVJUIWSA-N -1 0 606.125 6.442 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102891273 555126856 /nfs/dbraw/zinc/12/68/56/555126856.db2.gz WHNOHZHOTSMXOM-NPJIAGGLSA-N -1 0 506.555 5.196 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892822 555129320 /nfs/dbraw/zinc/12/93/20/555129320.db2.gz OSVYJVDUWANVJZ-MEDZALOKSA-N -1 0 567.450 6.561 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894567 555132581 /nfs/dbraw/zinc/13/25/81/555132581.db2.gz OJGCSHQZMQWPKO-BFLOGMOSSA-N -1 0 585.707 6.179 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895891 555135187 /nfs/dbraw/zinc/13/51/87/555135187.db2.gz AYBUJEOBRYMCMU-ONQGDUAMSA-N -1 0 591.085 6.916 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102895888 555135225 /nfs/dbraw/zinc/13/52/25/555135225.db2.gz AYBUJEOBRYMCMU-UUALVTFQSA-N -1 0 591.085 6.916 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)sc2c1 ZINC000102896180 555136037 /nfs/dbraw/zinc/13/60/37/555136037.db2.gz UEQOURXJOIBYMO-NXLSWJSLSA-N -1 0 532.549 5.232 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897066 555137294 /nfs/dbraw/zinc/13/72/94/555137294.db2.gz ZHSFQIIDEAFQJI-OTQMSCLFSA-N -1 0 571.680 5.789 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928590 555154174 /nfs/dbraw/zinc/15/41/74/555154174.db2.gz LBCNWVIBKSRNFK-MOBKVPTQSA-N -1 0 502.523 5.157 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102929349 555155081 /nfs/dbraw/zinc/15/50/81/555155081.db2.gz CEBWLBZGHIGWEQ-IAMBOQNYSA-N -1 0 519.966 6.101 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102931898 555159377 /nfs/dbraw/zinc/15/93/77/555159377.db2.gz WYWCMNNQTJTMKN-HOGKFDNTSA-N -1 0 569.864 6.737 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CCCC)c2=O)nc1-c1ccccc1 ZINC000103004600 555202778 /nfs/dbraw/zinc/20/27/78/555202778.db2.gz VSWLVTUTMDYJNN-UHFFFAOYSA-N -1 0 615.884 10.127 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)nc1-c1ccccc1 ZINC000103004595 555202845 /nfs/dbraw/zinc/20/28/45/555202845.db2.gz MUQXBXAINNCRPV-UHFFFAOYSA-N -1 0 615.884 9.983 50 30 KKEARM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)cc12 ZINC000103025426 555215668 /nfs/dbraw/zinc/21/56/68/555215668.db2.gz HOVQBEBVPWRISZ-UHFFFAOYSA-N -1 0 523.068 6.317 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000103928970 571370071 /nfs/dbraw/zinc/37/00/71/571370071.db2.gz ZFISHYDAVKQXPJ-YDJIHCHBSA-N -1 0 526.998 5.225 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(Oc3ccccc3)cc2)nc1C ZINC000138215192 571451164 /nfs/dbraw/zinc/45/11/64/571451164.db2.gz PGUMMBMMCJURCG-QFIPXVFZSA-N -1 0 530.558 5.796 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000150347901 571461017 /nfs/dbraw/zinc/46/10/17/571461017.db2.gz NEWNVXQDEIMJIR-YSURURNPSA-N -1 0 645.032 6.923 50 30 KKEARM CCCCCCCCCCCCSC(=S)S[C@@H](C)C(=O)Oc1cc(OC(=O)[C@H](C)SC(=S)SCCCCCCCCCCCC)cc(C(=O)[O-])c1 ZINC000150369176 571465498 /nfs/dbraw/zinc/46/54/98/571465498.db2.gz GOLRGLNMILBFFI-CONSDPRKSA-N -1 0 819.321 13.317 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N/N=c1\sc2cc(Cl)cc(Cl)c2n1C ZINC000150389024 571471369 /nfs/dbraw/zinc/47/13/69/571471369.db2.gz LHEROMPUMPHORR-NMSHJFGGSA-N -1 0 672.741 8.899 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422195 571488048 /nfs/dbraw/zinc/48/80/48/571488048.db2.gz PCXGNBGMNYVOGS-GYBOJBDRSA-N -1 0 671.841 7.604 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422324 571488388 /nfs/dbraw/zinc/48/83/88/571488388.db2.gz ZCNQECCZCOAFAV-QMMFTLRZSA-N -1 0 691.803 7.191 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424247 571489000 /nfs/dbraw/zinc/48/90/00/571489000.db2.gz UINYYWOMOFCRBU-ZCCBWQDPSA-N -1 0 685.868 7.912 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424772 571489351 /nfs/dbraw/zinc/48/93/51/571489351.db2.gz GBPUHCCXKPGCJX-LOTNQUKISA-N -1 0 740.731 8.911 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424613 571489355 /nfs/dbraw/zinc/48/93/55/571489355.db2.gz JDEXOQRQDWQKQU-QMMFTLRZSA-N -1 0 691.803 7.191 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424607 571489362 /nfs/dbraw/zinc/48/93/62/571489362.db2.gz JDEXOQRQDWQKQU-VEZPTTSMSA-N -1 0 691.803 7.191 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424935 571489499 /nfs/dbraw/zinc/48/94/99/571489499.db2.gz DLLDVSBPYIPKPC-CJNZMNDESA-N -1 0 721.901 8.757 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000150433132 571494414 /nfs/dbraw/zinc/49/44/14/571494414.db2.gz HBVCTDUPFCMFRJ-QHCPKHFHSA-N -1 0 630.487 6.282 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435435 571495460 /nfs/dbraw/zinc/49/54/60/571495460.db2.gz IVTKOYCZXOACFX-QMMFTLRZSA-N -1 0 718.640 8.114 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435568 571495483 /nfs/dbraw/zinc/49/54/83/571495483.db2.gz ZZILABCOXMIXAC-RBHLQMETSA-N -1 0 760.721 9.065 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435487 571495502 /nfs/dbraw/zinc/49/55/02/571495502.db2.gz WCLVVDIDEIZFQI-SXARVTSNSA-N -1 0 705.858 8.066 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435773 571495786 /nfs/dbraw/zinc/49/57/86/571495786.db2.gz LWLVQFIHHWNNKH-CFQDGGCTSA-N -1 0 707.830 7.514 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150441376 571498442 /nfs/dbraw/zinc/49/84/42/571498442.db2.gz MBTWBXNHEUVLFF-JRPXNJEYSA-N -1 0 652.969 7.191 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441780 571498500 /nfs/dbraw/zinc/49/85/00/571498500.db2.gz HIQIBUARVMFXSE-JNYBUSFRSA-N -1 0 682.223 8.013 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445212 571500075 /nfs/dbraw/zinc/50/00/75/571500075.db2.gz FFRKMZWTZWKYLW-HEWWQJFPSA-N -1 0 629.485 5.055 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445416 571500446 /nfs/dbraw/zinc/50/04/46/571500446.db2.gz JXVYXVFWMZFTCT-ICQXDZJJSA-N -1 0 657.814 7.276 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445789 571500595 /nfs/dbraw/zinc/50/05/95/571500595.db2.gz JETAQCNSEVDWLS-VXJPNWOUSA-N -1 0 662.233 7.858 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445835 571500755 /nfs/dbraw/zinc/50/07/55/571500755.db2.gz OJNPRQCGYRYILX-DFXXOVSGSA-N -1 0 658.729 6.168 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445588 571500763 /nfs/dbraw/zinc/50/07/63/571500763.db2.gz WLDZAZUWZKYCOL-FFMCZVIESA-N -1 0 647.778 7.359 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445591 571500780 /nfs/dbraw/zinc/50/07/80/571500780.db2.gz WLDZAZUWZKYCOL-VDBNUPDGSA-N -1 0 647.778 7.359 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000150445919 571500993 /nfs/dbraw/zinc/50/09/93/571500993.db2.gz OPUWBSBBCHVGPY-CJJGVWJISA-N -1 0 637.541 7.449 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453835 571503737 /nfs/dbraw/zinc/50/37/37/571503737.db2.gz CODIWSAMCZRTLB-SBXHHDGASA-N -1 0 639.480 5.569 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000150456096 571504563 /nfs/dbraw/zinc/50/45/63/571504563.db2.gz QPSUHMLPVOAMRW-ZZIWUOEGSA-N -1 0 623.481 5.787 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457093 571504826 /nfs/dbraw/zinc/50/48/26/571504826.db2.gz LWZQMYQLJRPHKJ-HYVCFMKYSA-N -1 0 659.761 6.883 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457442 571505033 /nfs/dbraw/zinc/50/50/33/571505033.db2.gz VNVYFURFWXKENR-HUVRIODYSA-N -1 0 677.848 8.358 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458113 571505252 /nfs/dbraw/zinc/50/52/52/571505252.db2.gz HXNLTSRGMGIPIT-PLQDCEFPSA-N -1 0 661.805 7.668 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150459274 571505717 /nfs/dbraw/zinc/50/57/17/571505717.db2.gz YBMJJZDVKGQPTH-AYWGPLOBSA-N -1 0 625.453 5.179 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460513 571506169 /nfs/dbraw/zinc/50/61/69/571506169.db2.gz XUHBUAZGIZRTQC-NSUOQXISSA-N -1 0 627.900 6.376 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461142 571506404 /nfs/dbraw/zinc/50/64/04/571506404.db2.gz FEIIJYJUZCVHIQ-NBXYUPGTSA-N -1 0 689.831 7.887 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461031 571506407 /nfs/dbraw/zinc/50/64/07/571506407.db2.gz DYYSCCKMEOSIMP-RIEKNRFYSA-N -1 0 649.794 7.722 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462801 571506714 /nfs/dbraw/zinc/50/67/14/571506714.db2.gz MVXUFUWGMRNRTA-QZDFLZESSA-N -1 0 671.841 7.748 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150463056 571507046 /nfs/dbraw/zinc/50/70/46/571507046.db2.gz MDERYTBUDOXSNU-TXTDGAROSA-N -1 0 648.734 6.015 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463707 571507448 /nfs/dbraw/zinc/50/74/48/571507448.db2.gz HZMUETVAUGBJME-LOOKCOSASA-N -1 0 648.206 7.612 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464426 571507618 /nfs/dbraw/zinc/50/76/18/571507618.db2.gz UIGXRKOXTLMZAE-FLJNSMSWSA-N -1 0 712.677 8.274 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464008 571507731 /nfs/dbraw/zinc/50/77/31/571507731.db2.gz DXVHJJDRGKOWGR-QDMOOSCLSA-N -1 0 623.481 5.731 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464435 571507752 /nfs/dbraw/zinc/50/77/52/571507752.db2.gz UIGXRKOXTLMZAE-GBIFRDBCSA-N -1 0 712.677 8.274 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150467204 571508087 /nfs/dbraw/zinc/50/80/87/571508087.db2.gz UAMJXCQTGNPPDF-KFLIVHAJSA-N -1 0 695.819 7.569 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150467449 571508114 /nfs/dbraw/zinc/50/81/14/571508114.db2.gz ALDPAEAXLISTFZ-DFXXOVSGSA-N -1 0 643.743 6.191 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150472817 571510071 /nfs/dbraw/zinc/51/00/71/571510071.db2.gz JBYJSYGGSIUHDS-ZORLYMSLSA-N -1 0 663.777 7.115 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150476318 571510822 /nfs/dbraw/zinc/51/08/22/571510822.db2.gz HSXAVPDVGAGPRN-HYVCFMKYSA-N -1 0 696.678 8.512 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150476592 571511002 /nfs/dbraw/zinc/51/10/02/571511002.db2.gz VUPPKRKZTNDVJT-SZYGQJGOSA-N -1 0 679.820 7.806 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150480422 571511967 /nfs/dbraw/zinc/51/19/67/571511967.db2.gz RMHLKELEGUMZCP-QMMFTLRZSA-N -1 0 649.750 6.946 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150482804 571513433 /nfs/dbraw/zinc/51/34/33/571513433.db2.gz ITUOTMFVHYQISU-QMMFTLRZSA-N -1 0 691.803 7.335 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484879 571515433 /nfs/dbraw/zinc/51/54/33/571515433.db2.gz GKZPVEVDUNHMNT-KNZGKXHUSA-N -1 0 644.989 7.740 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1cccnc1 ZINC000150485890 571516132 /nfs/dbraw/zinc/51/61/32/571516132.db2.gz XCTDZLDNGKNUOA-SANMLTNESA-N -1 0 633.780 7.593 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1S(=O)(=O)N/N=c1\sc(-c2ccc(OC)cc2)nn1C ZINC000150544546 571520591 /nfs/dbraw/zinc/52/05/91/571520591.db2.gz AOBZLDKROVXWSX-YHZPTAEISA-N -1 0 660.903 7.510 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccc(Oc3ccc(C)cc3)cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000150559889 571520966 /nfs/dbraw/zinc/52/09/66/571520966.db2.gz FYZLJPDJXZUTCA-UKRDSVFVSA-N -1 0 724.002 9.409 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000150596850 571522322 /nfs/dbraw/zinc/52/23/22/571522322.db2.gz XNMBKMGERKILAH-UHFFFAOYSA-N -1 0 722.970 10.000 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000150600495 571522491 /nfs/dbraw/zinc/52/24/91/571522491.db2.gz SEXQYTHSXJHLGB-AREMUKBSSA-N -1 0 628.663 6.822 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CCCc4c5cc(Cl)ccc5[nH]c43)C1=O)O2 ZINC000263586569 572124426 /nfs/dbraw/zinc/12/44/26/572124426.db2.gz VVZPTPXQBLANKB-CKNJPZKVSA-N -1 0 547.007 5.371 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000299738155 572133426 /nfs/dbraw/zinc/13/34/26/572133426.db2.gz CHGWBSMCVUKQPW-UHFFFAOYSA-N -1 0 557.751 6.989 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000252460184 572261203 /nfs/dbraw/zinc/26/12/03/572261203.db2.gz CIVCZACVNKGVDY-UHFFFAOYSA-N -1 0 509.216 6.070 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000252441258 572260903 /nfs/dbraw/zinc/26/09/03/572260903.db2.gz MISRCEKKHJVMIX-ZNIYYTEBSA-N -1 0 574.718 5.504 50 30 KKEARM O=c1c(N=Nc2ccc(I)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252461693 572261200 /nfs/dbraw/zinc/26/12/00/572261200.db2.gz NLRQISWPTBZGQZ-UHFFFAOYSA-N -1 0 549.397 5.634 50 30 KKEARM O=c1c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252461454 572261223 /nfs/dbraw/zinc/26/12/23/572261223.db2.gz MPLVIKCZHTYHJB-UHFFFAOYSA-N -1 0 547.394 5.700 50 30 KKEARM O=c1c(N=Nc2ccccc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252460413 572261242 /nfs/dbraw/zinc/26/12/42/572261242.db2.gz FDFAUWOVHVILMC-UHFFFAOYSA-N -1 0 502.397 5.792 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3cc(Br)cc(Br)c3[O-])C(=O)N2CC(C)C)cc1 ZINC000252599750 572267224 /nfs/dbraw/zinc/26/72/24/572267224.db2.gz DLDGIEATOCBYMR-LMBXAWNASA-N -1 0 540.277 6.186 50 30 KKEARM COc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000252601059 572267388 /nfs/dbraw/zinc/26/73/88/572267388.db2.gz DXMBJYHPVVNOKI-BXFRJJNSSA-N -1 0 516.619 6.201 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1C=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 ZINC000252604478 572267671 /nfs/dbraw/zinc/26/76/71/572267671.db2.gz GAFRLZYSMMBIDT-UHFFFAOYSA-N -1 0 544.467 8.103 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc(C(F)(F)F)ccc4Cl)c3=O)n2)cc1 ZINC000252617661 572268997 /nfs/dbraw/zinc/26/89/97/572268997.db2.gz KXYOETSYNCUGBF-UHFFFAOYSA-N -1 0 555.969 6.710 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000252623447 572269946 /nfs/dbraw/zinc/26/99/46/572269946.db2.gz ORPNVZUSOCPRDW-DUUZWRIISA-N -1 0 609.542 7.528 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=Nc2ccccc2)cc1 ZINC000252623989 572270185 /nfs/dbraw/zinc/27/01/85/572270185.db2.gz PDRUHKDUGKYPES-HUCPPZPJSA-N -1 0 588.645 7.100 50 30 KKEARM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000252679560 572281393 /nfs/dbraw/zinc/28/13/93/572281393.db2.gz OHKMMRFDDARHMY-ZUJOZEFSSA-N -1 0 526.718 5.534 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000252680033 572281404 /nfs/dbraw/zinc/28/14/04/572281404.db2.gz UUSRSOMFQHDJAD-PVKKXWAZSA-N -1 0 535.681 5.022 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(/C=N/N5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000253388494 572282927 /nfs/dbraw/zinc/28/29/27/572282927.db2.gz YZTXXSCFLBMQBH-FTIOSYNASA-N -1 0 806.954 5.365 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(/C=N/N5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000253388495 572282932 /nfs/dbraw/zinc/28/29/32/572282932.db2.gz YZTXXSCFLBMQBH-GSJMROEWSA-N -1 0 806.954 5.365 50 30 KKEARM COc1ccccc1[C@@H](CNC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1c[nH]c2ccccc21 ZINC000253399104 572284741 /nfs/dbraw/zinc/28/47/41/572284741.db2.gz COPMMUABHNCDCQ-VCORQIIBSA-N -1 0 592.648 5.480 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253413022 572288373 /nfs/dbraw/zinc/28/83/73/572288373.db2.gz SUCAGSWQICSZQC-PUDRWSQFSA-N -1 0 568.534 5.728 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCCCc3nc4ccccc4n3C(C)C)C1=O)O2 ZINC000253414829 572288986 /nfs/dbraw/zinc/28/89/86/572288986.db2.gz YTBWBTUBKPBLKO-NGAFNUOASA-N -1 0 571.674 5.502 50 30 KKEARM CC1(C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000253487740 572290759 /nfs/dbraw/zinc/29/07/59/572290759.db2.gz PFEQIEUTCKQPGL-AWNLNDCGSA-N -1 0 616.836 5.266 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253503186 572295824 /nfs/dbraw/zinc/29/58/24/572295824.db2.gz JFBCPEYXJIIHIY-YIISRBHPSA-N -1 0 558.760 5.238 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253503092 572295847 /nfs/dbraw/zinc/29/58/47/572295847.db2.gz DUFLDRKJKWPJLH-CYPWFSRKSA-N -1 0 570.771 5.692 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503508 572296017 /nfs/dbraw/zinc/29/60/17/572296017.db2.gz QLSKKZPCPDCUDT-KXAMSQINSA-N -1 0 573.734 5.820 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503506 572296033 /nfs/dbraw/zinc/29/60/33/572296033.db2.gz QLSKKZPCPDCUDT-DHGKGSFWSA-N -1 0 573.734 5.820 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534092 572299793 /nfs/dbraw/zinc/29/97/93/572299793.db2.gz YWLYGSSMGSIXLN-XERVUMKYSA-N -1 0 670.851 5.120 50 30 KKEARM CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCCCC ZINC000087529243 1069683874 /nfs/dbraw/zinc/68/38/74/1069683874.db2.gz RHODCGQMKYNKED-SXOMAYOGSA-N -1 0 623.765 6.829 50 30 in-vitro KKEARM CC(C)c1c(C(=O)Nc2ccccc2O)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)[O-] ZINC000095618794 1069686385 /nfs/dbraw/zinc/68/63/85/1069686385.db2.gz CZBPKFICAYVHHM-DQEYMECFSA-N -1 0 574.649 6.403 50 30 world KKEARM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OC[C@H](O)CO ZINC000102191084 1069701340 /nfs/dbraw/zinc/70/13/40/1069701340.db2.gz CATKZNHUBTWOSQ-FQLXRVMXSA-N -1 0 624.793 7.160 50 30 KKEARM O=c1c(=O)c(=CC2Sc3cc(-c4ccccc4)ccc3N2CCCS(=O)(=O)[O-])c(=O)c1=Cc1sc2cc(-c3ccccc3)ccc2[n+]1CCCS(=O)(=O)[O-] ZINC000685944675 1070944996 /nfs/dbraw/zinc/94/49/96/1070944996.db2.gz RTZBFHAMTVLWHU-UHFFFAOYSA-O -1 0 801.966 6.880 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CCCc4c5cccc(Cl)c5[nH]c43)C1=O)O2 ZINC000263584744 1071122776 /nfs/dbraw/zinc/12/27/76/1071122776.db2.gz ABURYXLXMAEFFA-NOORWFIYSA-N -1 0 547.007 5.371 50 30 KKEARM C=C(C)COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1 ZINC000217812023 1071292641 /nfs/dbraw/zinc/29/26/41/1071292641.db2.gz NOYPKRXHHRKFGW-LJQANCHMSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000254396047 1072852154 /nfs/dbraw/zinc/85/21/54/1072852154.db2.gz GOZKRJRYFNGLFZ-UHFFFAOYSA-N -1 0 530.562 5.103 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1 ZINC000254508134 1072860633 /nfs/dbraw/zinc/86/06/33/1072860633.db2.gz CZKRYECEOUCFGM-UHFFFAOYSA-N -1 0 592.703 5.419 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=C(Br)Cc1ccccc1 ZINC000254590693 1072865972 /nfs/dbraw/zinc/86/59/72/1072865972.db2.gz CRTWZGIDMWGYMF-JMSKORNJSA-N -1 0 531.388 5.238 50 30 KKEARM CCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])c(OCCC)c1 ZINC000254702453 1072871064 /nfs/dbraw/zinc/87/10/64/1072871064.db2.gz MRWMDIFIAVBZGA-UHFFFAOYSA-N -1 0 542.614 5.428 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533470 195477805 /nfs/dbraw/zinc/47/78/05/195477805.db2.gz LDEPIPTXRUTPCM-RGICWFSCSA-N -1 0 559.707 5.142 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000000635127 551505834 /nfs/dbraw/zinc/50/58/34/551505834.db2.gz BHNPMPBMDCCHIO-HXUWFJFHSA-N -1 0 542.997 5.082 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl ZINC000000660427 551516069 /nfs/dbraw/zinc/51/60/69/551516069.db2.gz QSICSHMQYXIMOP-UHFFFAOYSA-N -1 0 556.442 6.079 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000000663668 551516532 /nfs/dbraw/zinc/51/65/32/551516532.db2.gz XMSZEWIXYIYVAH-UHFFFAOYSA-N -1 0 507.970 5.327 50 30 KKEARM O=C([O-])CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3cccc4ccccc43)c(Br)c2)C2=C1CCCC2=O ZINC000000663679 551516562 /nfs/dbraw/zinc/51/65/62/551516562.db2.gz MVBXRXNPZRTTNM-UHFFFAOYSA-N -1 0 600.509 7.069 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000000711788 551533354 /nfs/dbraw/zinc/53/33/54/551533354.db2.gz ATHYPUWXWYTCPA-AUEPDCJTSA-N -1 0 520.124 5.713 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719696 551536379 /nfs/dbraw/zinc/53/63/79/551536379.db2.gz OTKLYAOXWMTOHL-KEEVHDRGSA-N -1 0 564.560 6.479 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719697 551536395 /nfs/dbraw/zinc/53/63/95/551536395.db2.gz OTKLYAOXWMTOHL-PRAQEBQASA-N -1 0 564.560 6.479 50 30 KKEARM COc1c(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c([O-])c1Br ZINC000000973960 551590834 /nfs/dbraw/zinc/59/08/34/551590834.db2.gz SIYLFHGKPCTPHL-LSFURLLWSA-N -1 0 511.239 6.168 50 30 KKEARM CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077247 551604485 /nfs/dbraw/zinc/60/44/85/551604485.db2.gz YPGWWTUKKRPLAV-HPGBDJQBSA-N -1 0 531.565 5.696 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243209 551631203 /nfs/dbraw/zinc/63/12/03/551631203.db2.gz QTLMVTVGDJFWIA-HMILPKGGSA-N -1 0 530.602 5.300 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@H]1c1ccc(F)cc1 ZINC000001304790 551638478 /nfs/dbraw/zinc/63/84/78/551638478.db2.gz QJWJZTNUTYDFGW-ADXZGYQBSA-N -1 0 529.524 5.499 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001306046 551638974 /nfs/dbraw/zinc/63/89/74/551638974.db2.gz KLSJULGXXAIOPT-RBBQXQBVSA-N -1 0 580.681 6.536 50 30 KKEARM COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322619 551642082 /nfs/dbraw/zinc/64/20/82/551642082.db2.gz YHQQUHQUFYMXJY-ADKRDUOOSA-N -1 0 546.576 5.071 50 30 biogenic KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001408997 551663729 /nfs/dbraw/zinc/66/37/29/551663729.db2.gz ZWCCIAFPQROLIE-UVDDSOTQSA-N -1 0 510.590 5.769 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1cccs1 ZINC000001449870 551674952 /nfs/dbraw/zinc/67/49/52/551674952.db2.gz VBQRFRJISHYYBB-GOSISDBHSA-N -1 0 515.385 6.042 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457402 551677058 /nfs/dbraw/zinc/67/70/58/551677058.db2.gz UURCXJWCKYCGQI-KCEHZKJRSA-N -1 0 540.616 5.778 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457573 551677245 /nfs/dbraw/zinc/67/72/45/551677245.db2.gz AWUVMGNLLWGWBU-UGDMGKLASA-N -1 0 510.590 5.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001463459 551679717 /nfs/dbraw/zinc/67/97/17/551679717.db2.gz JXOZWJOKZSUEJT-XMMPIXPASA-N -1 0 558.587 6.343 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001479925 551681229 /nfs/dbraw/zinc/68/12/29/551681229.db2.gz DEFDJCIFVMCDMV-FQEVSTJZSA-N -1 0 541.448 6.302 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000001480087 551681517 /nfs/dbraw/zinc/68/15/17/551681517.db2.gz LLUMGEOIYRGJNB-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000001480086 551681614 /nfs/dbraw/zinc/68/16/14/551681614.db2.gz LLUMGEOIYRGJNB-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001480698 551681920 /nfs/dbraw/zinc/68/19/20/551681920.db2.gz XIWBQXLGDVDRNL-LJQANCHMSA-N -1 0 527.421 5.912 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000001481485 551682652 /nfs/dbraw/zinc/68/26/52/551682652.db2.gz QCGILDIEIVQONI-QFIPXVFZSA-N -1 0 524.957 5.889 50 30 KKEARM CCOc1c2c(c(OCC)c3ccccc31)C(=O)N(c1ccc(CC(=O)[N-]S(=O)(=O)c3ccccc3)cc1)C2 ZINC000001494902 551683038 /nfs/dbraw/zinc/68/30/38/551683038.db2.gz XREWXJVMYAXCJV-UHFFFAOYSA-N -1 0 544.629 5.686 50 30 in-vitro KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482369 551683053 /nfs/dbraw/zinc/68/30/53/551683053.db2.gz DMCFDLVOMBGZMH-XMMPIXPASA-N -1 0 534.565 5.634 50 30 KKEARM COc1ccc(-c2sc(/N=C/c3cc(Br)cc(Br)c3[O-])c(C#N)c2C)cc1OC ZINC000001743993 551691875 /nfs/dbraw/zinc/69/18/75/551691875.db2.gz VVQVYVXBYATDGG-KIBLKLHPSA-N -1 0 536.245 6.594 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000001845684 551714671 /nfs/dbraw/zinc/71/46/71/551714671.db2.gz AZWCBJGTELRWDP-XMMPIXPASA-N -1 0 532.021 6.170 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc(C)cc2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000001882751 551724600 /nfs/dbraw/zinc/72/46/00/551724600.db2.gz VZGSZURKXYARII-UHFFFAOYSA-N -1 0 590.771 6.887 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000001900534 551730576 /nfs/dbraw/zinc/73/05/76/551730576.db2.gz ZAVFACRFGUKUQV-FQEVSTJZSA-N -1 0 547.630 6.648 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000002053506 551739192 /nfs/dbraw/zinc/73/91/92/551739192.db2.gz QOIHTUSDXFFSDK-YSURURNPSA-N -1 0 551.032 7.239 50 30 KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002173558 551782525 /nfs/dbraw/zinc/78/25/25/551782525.db2.gz AZFQTKCZYHOTNX-LPYMAVHISA-N -1 0 514.676 5.354 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)cc(Br)c1[O-] ZINC000002192935 551791306 /nfs/dbraw/zinc/79/13/06/551791306.db2.gz ZIFBUANJTJPCQJ-HSZRJFAPSA-N -1 0 527.256 7.380 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002298692 551807416 /nfs/dbraw/zinc/80/74/16/551807416.db2.gz YDANSSWIMIOGAO-UDWIEESQSA-N -1 0 504.999 6.066 50 30 KKEARM N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002840827 552198735 /nfs/dbraw/zinc/19/87/35/552198735.db2.gz WCIUHFXAOYGZMU-UHFFFAOYSA-N -1 0 576.607 5.022 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)c([O-])c(Br)c1 ZINC000002911624 552214647 /nfs/dbraw/zinc/21/46/47/552214647.db2.gz PVPIZGVQQJKNAY-HSZRJFAPSA-N -1 0 527.256 7.380 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000003084981 552286069 /nfs/dbraw/zinc/28/60/69/552286069.db2.gz JGZQUEFUAXSRKO-YSURURNPSA-N -1 0 509.130 6.862 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1 ZINC000003092036 552287014 /nfs/dbraw/zinc/28/70/14/552287014.db2.gz BVJCJBQUVIFXAU-AUEPDCJTSA-N -1 0 564.133 6.226 50 30 KKEARM Cc1c(Br)c([O-])c(Br)c(O)c1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003113194 552289887 /nfs/dbraw/zinc/28/98/87/552289887.db2.gz WOOIBJDBBYJBLJ-MWRNPHMMSA-N -1 0 571.052 7.797 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1[O-] ZINC000003113737 552290208 /nfs/dbraw/zinc/29/02/08/552290208.db2.gz POGGTCOVFFITLZ-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM Cc1c(Br)c([O-])c(Br)c(O)c1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003113784 552290214 /nfs/dbraw/zinc/29/02/14/552290214.db2.gz DYFGWOGJLPIKRU-MWRNPHMMSA-N -1 0 571.052 7.797 50 30 KKEARM CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1 ZINC000003663349 552407794 /nfs/dbraw/zinc/40/77/94/552407794.db2.gz ANTMNSPMUOYSBG-VFLNYLIXSA-N -1 0 544.529 7.915 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000003663366 552407808 /nfs/dbraw/zinc/40/78/08/552407808.db2.gz YTRZKYGUVIJFDY-KIBLKLHPSA-N -1 0 524.292 8.114 50 30 KKEARM CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc([N+](=O)[O-])ccc4[O-])cc3s2)cc1 ZINC000003663958 552408368 /nfs/dbraw/zinc/40/83/68/552408368.db2.gz RGGZFHYEQOBKAL-BRJLIKDPSA-N -1 0 506.565 5.594 50 30 KKEARM O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000003669738 552410662 /nfs/dbraw/zinc/41/06/62/552410662.db2.gz HAEARVJRGZVNOH-QFIPXVFZSA-N -1 0 552.033 5.380 50 30 KKEARM Cc1c(Br)c(O)c(C(C)C)cc1C(c1ccccc1S(=O)(=O)[O-])=C1C=C(C(C)C)C(=O)C(Br)=C1C ZINC000004261799 552454159 /nfs/dbraw/zinc/45/41/59/552454159.db2.gz WXPNWDZVBHQEAA-XTQSDGFTSA-N -1 0 624.391 7.469 50 30 in-vitro KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1C ZINC000005355392 552498553 /nfs/dbraw/zinc/49/85/53/552498553.db2.gz HNOMQTASAGKFLZ-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000005355327 552498649 /nfs/dbraw/zinc/49/86/49/552498649.db2.gz FCROLXKIGZLPOW-DEOSSOPVSA-N -1 0 580.659 5.526 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005357062 552499282 /nfs/dbraw/zinc/49/92/82/552499282.db2.gz IAICEXZNVAXQLI-DEOSSOPVSA-N -1 0 578.643 5.302 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000005356959 552499369 /nfs/dbraw/zinc/49/93/69/552499369.db2.gz BHNPMPBMDCCHIO-FQEVSTJZSA-N -1 0 542.997 5.082 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357265 552499627 /nfs/dbraw/zinc/49/96/27/552499627.db2.gz JYCUKPBWJZSVNC-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000006141947 552542963 /nfs/dbraw/zinc/54/29/63/552542963.db2.gz IHBBNXZEZXBEED-KRWDZBQOSA-N -1 0 546.432 5.286 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006150602 552551425 /nfs/dbraw/zinc/55/14/25/552551425.db2.gz CMOHWWCDKQAUHM-DEOSSOPVSA-N -1 0 575.624 5.284 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006212950 552570706 /nfs/dbraw/zinc/57/07/06/552570706.db2.gz QRZCTDCDDZWZSA-HSZRJFAPSA-N -1 0 593.639 5.558 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000006475034 552593270 /nfs/dbraw/zinc/59/32/70/552593270.db2.gz FOKFABPMITUVQY-CHAGWJKLSA-N -1 0 519.485 5.092 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000008383349 552986209 /nfs/dbraw/zinc/98/62/09/552986209.db2.gz OOWXFXXAYYHXBR-RUZDIDTESA-N -1 0 633.679 6.524 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383319 552986227 /nfs/dbraw/zinc/98/62/27/552986227.db2.gz DVNJTYILLJFMSO-HSZRJFAPSA-N -1 0 612.491 7.805 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383371 552986460 /nfs/dbraw/zinc/98/64/60/552986460.db2.gz QTLGTGSBKANYPH-DEOSSOPVSA-N -1 0 573.627 6.507 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383388 552986491 /nfs/dbraw/zinc/98/64/91/552986491.db2.gz DJMZFFHPMDLWAK-HHHXNRCGSA-N -1 0 610.116 8.166 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000008383400 552986500 /nfs/dbraw/zinc/98/65/00/552986500.db2.gz PWBIHXULNGABPN-NDEPHWFRSA-N -1 0 646.190 8.582 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(O)c3)s2)cc1 ZINC000008384040 552988691 /nfs/dbraw/zinc/98/86/91/552988691.db2.gz RFLJRQXHFYXVEB-XMMPIXPASA-N -1 0 555.637 6.374 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008384052 552988751 /nfs/dbraw/zinc/98/87/51/552988751.db2.gz NKWDMLCBLDGQAE-QHCPKHFHSA-N -1 0 594.501 7.666 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000008384084 552988894 /nfs/dbraw/zinc/98/88/94/552988894.db2.gz NEWTTYMLPUJFST-DEOSSOPVSA-N -1 0 590.082 7.022 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccccc1 ZINC000008396491 552995543 /nfs/dbraw/zinc/99/55/43/552995543.db2.gz LOOCPURNIQEBCK-UHFFFAOYSA-N -1 0 527.661 6.426 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000008398115 552998311 /nfs/dbraw/zinc/99/83/11/552998311.db2.gz WFGKFMDJJRKHSE-ZXPTYKNPSA-N -1 0 523.936 5.698 50 30 KKEARM O=C([O-])c1cc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)c(Br)c3)S2)ccc1Cl ZINC000008425916 553016992 /nfs/dbraw/zinc/01/69/92/553016992.db2.gz WBTIQJSOMRJWQD-DHRITJCHSA-N -1 0 593.886 7.425 50 30 KKEARM Cc1ccc2cc(/N=C/c3cc(I)cc(I)c3[O-])ccc2n1 ZINC000008426982 553019108 /nfs/dbraw/zinc/01/91/08/553019108.db2.gz OFZSBXAPRIFEQE-AWQFTUOYSA-N -1 0 514.104 5.209 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000008441174 553039772 /nfs/dbraw/zinc/03/97/72/553039772.db2.gz SYPKFDTXRRYTAT-HHHXNRCGSA-N -1 0 564.619 6.762 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441162 553039835 /nfs/dbraw/zinc/03/98/35/553039835.db2.gz SXIYPSFKPVARNS-DEOSSOPVSA-N -1 0 530.602 6.362 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008441733 553041884 /nfs/dbraw/zinc/04/18/84/553041884.db2.gz LZVLVVIRWWPNTE-JGCGQSQUSA-N -1 0 632.694 7.812 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441773 553042196 /nfs/dbraw/zinc/04/21/96/553042196.db2.gz NZLIELVKFCBAIA-MHZLTWQESA-N -1 0 644.561 8.820 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441817 553042438 /nfs/dbraw/zinc/04/24/38/553042438.db2.gz INSGWHZXEZSEEC-HSZRJFAPSA-N -1 0 622.497 7.261 50 30 KKEARM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000008452350 553063529 /nfs/dbraw/zinc/06/35/29/553063529.db2.gz WQLRKOBPAFFREH-CBYHCJJPSA-N -1 0 540.233 5.328 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000008461999 553075708 /nfs/dbraw/zinc/07/57/08/553075708.db2.gz ZBUKCLLNIIMZIB-FYSMJZIKSA-N -1 0 576.099 6.590 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/Cc1csc2ccccc12 ZINC000008648692 553107353 /nfs/dbraw/zinc/10/73/53/553107353.db2.gz QHYNNSSGZPIJFS-FBCYGCLPSA-N -1 0 519.145 5.435 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008817135 553152381 /nfs/dbraw/zinc/15/23/81/553152381.db2.gz RXDHRWYAKSZXCZ-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008817136 553152628 /nfs/dbraw/zinc/15/26/28/553152628.db2.gz RXDHRWYAKSZXCZ-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000008817911 553153103 /nfs/dbraw/zinc/15/31/03/553153103.db2.gz BBKVDSABWRYFRI-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008838301 553164960 /nfs/dbraw/zinc/16/49/60/553164960.db2.gz XWBMNQNOULYUSV-AYWGPLOBSA-N -1 0 514.416 5.639 50 30 KKEARM COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000008856872 553167752 /nfs/dbraw/zinc/16/77/52/553167752.db2.gz OGFAGFGHVOKOIL-DNDOVNLQSA-N -1 0 554.242 6.422 50 30 KKEARM Cc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872782 553174153 /nfs/dbraw/zinc/17/41/53/553174153.db2.gz RRIWPSOVKRGTDL-UHBFCERESA-N -1 0 564.562 6.288 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000008921221 553189717 /nfs/dbraw/zinc/18/97/17/553189717.db2.gz IUFFTLQWVXMURO-LJQANCHMSA-N -1 0 511.422 6.212 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008922516 553190246 /nfs/dbraw/zinc/19/02/46/553190246.db2.gz NQLFCRPAZPLURZ-NRFANRHFSA-N -1 0 506.486 5.144 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973267 553195306 /nfs/dbraw/zinc/19/53/06/553195306.db2.gz RNLRSQDMXHFLMY-OAQYLSRUSA-N -1 0 505.483 5.135 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccccc2)cc1Br ZINC000008984722 553196392 /nfs/dbraw/zinc/19/63/92/553196392.db2.gz BKYWBKZVCKIACC-FAJYDZGRSA-N -1 0 516.424 6.100 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008987217 553196589 /nfs/dbraw/zinc/19/65/89/553196589.db2.gz NQLFCRPAZPLURZ-OAQYLSRUSA-N -1 0 506.486 5.144 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987822 553196826 /nfs/dbraw/zinc/19/68/26/553196826.db2.gz WDJMNOGHYNVHMK-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009007643 553198058 /nfs/dbraw/zinc/19/80/58/553198058.db2.gz GNUHQRMFHBFHJO-NRFANRHFSA-N -1 0 505.508 5.288 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008613 553199081 /nfs/dbraw/zinc/19/90/81/553199081.db2.gz METGUHAPAYEERY-JOCHJYFZSA-N -1 0 520.563 5.397 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000009019954 553201120 /nfs/dbraw/zinc/20/11/20/553201120.db2.gz DOQOTQDKVINXDS-VTJDKEBTSA-N -1 0 504.336 5.330 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009041155 553202273 /nfs/dbraw/zinc/20/22/73/553202273.db2.gz FFRHBRRPVXZQNG-OAQYLSRUSA-N -1 0 524.570 5.339 50 30 KKEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000009041130 553202290 /nfs/dbraw/zinc/20/22/90/553202290.db2.gz SXUHVBXUZOTSBL-SFHVURJKSA-N -1 0 503.805 5.959 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009044879 553203385 /nfs/dbraw/zinc/20/33/85/553203385.db2.gz RYKZXAJIWQKOQX-NRFANRHFSA-N -1 0 514.987 5.222 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009073050 553207025 /nfs/dbraw/zinc/20/70/25/553207025.db2.gz YDJASJWQYNHFKJ-JOCHJYFZSA-N -1 0 506.967 5.750 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1)c1ccc(Cl)cc1Cl ZINC000009144702 553213738 /nfs/dbraw/zinc/21/37/38/553213738.db2.gz PIABGKOIZCMTOR-YSURURNPSA-N -1 0 509.143 6.373 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009175789 553216147 /nfs/dbraw/zinc/21/61/47/553216147.db2.gz ULLRWUDIIJGLBZ-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000009259634 553228015 /nfs/dbraw/zinc/22/80/15/553228015.db2.gz OTAFLMVNWPWLLN-RGVLZGJSSA-N -1 0 504.999 5.226 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009270366 553230252 /nfs/dbraw/zinc/23/02/52/553230252.db2.gz XQVROPNJVUWEAI-NHFXJNLRSA-N -1 0 506.780 5.169 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009271224 553230651 /nfs/dbraw/zinc/23/06/51/553230651.db2.gz BGPYXLCAVIZVRE-DEOSSOPVSA-N -1 0 516.550 5.792 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009273787 553232156 /nfs/dbraw/zinc/23/21/56/553232156.db2.gz VXHUSKUJVFZHNI-QHCPKHFHSA-N -1 0 520.563 5.397 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000009291564 553234620 /nfs/dbraw/zinc/23/46/20/553234620.db2.gz KKGLGKATUPPIHV-DMZKTXOQSA-N -1 0 503.967 5.451 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000009302047 553236199 /nfs/dbraw/zinc/23/61/99/553236199.db2.gz AFZXYLFVRZQWOH-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM O=C([O-])c1cc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)ccc1Cl ZINC000009311749 553239688 /nfs/dbraw/zinc/23/96/88/553239688.db2.gz AMTRPEFKUGRLBA-LQKURTRISA-N -1 0 517.977 5.663 50 30 KKEARM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N/c4cccc(Br)c4)NC3=O)o2)cc1Cl ZINC000009311687 553239694 /nfs/dbraw/zinc/23/96/94/553239694.db2.gz HOHRQGWIVDSNEF-ZDLGFXPLSA-N -1 0 503.761 5.952 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329486 553242499 /nfs/dbraw/zinc/24/24/99/553242499.db2.gz HNNJYIFHCVQULG-DGIBIBHMSA-N -1 0 502.379 5.260 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009357407 553246897 /nfs/dbraw/zinc/24/68/97/553246897.db2.gz WBPOJCSCICRMLA-QFIPXVFZSA-N -1 0 501.432 5.645 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009357405 553246909 /nfs/dbraw/zinc/24/69/09/553246909.db2.gz WBPOJCSCICRMLA-JOCHJYFZSA-N -1 0 501.432 5.645 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000009357316 553246990 /nfs/dbraw/zinc/24/69/90/553246990.db2.gz BJXZYXRYEDKUGE-OAQYLSRUSA-N -1 0 501.589 5.319 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009358693 553247756 /nfs/dbraw/zinc/24/77/56/553247756.db2.gz HWWRTYPEFIDGNN-ZAMGYDSWSA-N -1 0 504.514 5.681 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000009403672 553255396 /nfs/dbraw/zinc/25/53/96/553255396.db2.gz LIGUEBHFSASPQI-GTJPDFRWSA-N -1 0 509.008 6.118 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000009411978 553257605 /nfs/dbraw/zinc/25/76/05/553257605.db2.gz JNBCFGIUVWLQOZ-IBGZPJMESA-N -1 0 508.556 5.049 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009461108 553267390 /nfs/dbraw/zinc/26/73/90/553267390.db2.gz ZRTMNKUCVAVMFN-DEOSSOPVSA-N -1 0 517.006 6.467 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000009463623 553269153 /nfs/dbraw/zinc/26/91/53/553269153.db2.gz WXNXDQNVKMUPCX-XMMPIXPASA-N -1 0 500.551 5.953 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccnc3)C2)cc1 ZINC000009600984 553286446 /nfs/dbraw/zinc/28/64/46/553286446.db2.gz FFJPCMOQWXRXQZ-WKRVVKTRSA-N -1 0 523.633 6.145 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000012275639 553356166 /nfs/dbraw/zinc/35/61/66/553356166.db2.gz SGOKKMGXJRNIFT-QLTSDVKISA-N -1 0 514.010 6.194 50 30 KKEARM CC1=CC(=O)C=C/C1=C(/c1ccc(O)cc1Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000012412647 553364176 /nfs/dbraw/zinc/36/41/76/553364176.db2.gz OTUSJCWFMCWBIQ-SDNWHVSQSA-N -1 0 504.580 7.245 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013571762 553474142 /nfs/dbraw/zinc/47/41/42/553474142.db2.gz VPXNQFSYLZRSIP-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000014086826 553500372 /nfs/dbraw/zinc/50/03/72/553500372.db2.gz GAXQZFALVAOCFH-QGZVFWFLSA-N -1 0 510.240 6.521 50 30 KKEARM Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3cccc(C(=O)[O-])c3)c3ccccc32)cc1 ZINC000015133839 553528220 /nfs/dbraw/zinc/52/82/20/553528220.db2.gz FFBCTMOFWIQYFC-XINRIAMMSA-N -1 0 512.565 5.647 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000016729520 553575626 /nfs/dbraw/zinc/57/56/26/553575626.db2.gz XWTAXIREUVLUAZ-JOCHJYFZSA-N -1 0 520.607 5.590 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000016732177 553577524 /nfs/dbraw/zinc/57/75/24/553577524.db2.gz CNRIAVNUAFDKNO-LJQANCHMSA-N -1 0 517.390 5.752 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccncc2)cc1 ZINC000016742004 553580049 /nfs/dbraw/zinc/58/00/49/553580049.db2.gz BSNGTCPDMQCYTL-NRFANRHFSA-N -1 0 516.604 5.017 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(CC)cc2)nc1C ZINC000016805435 553582799 /nfs/dbraw/zinc/58/27/99/553582799.db2.gz ISOKLQWNVCJHKE-OAQYLSRUSA-N -1 0 508.571 5.421 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(C)cc2)nc1C ZINC000016805514 553583082 /nfs/dbraw/zinc/58/30/82/553583082.db2.gz XVEWMIFIMNHMQW-OAQYLSRUSA-N -1 0 506.555 5.333 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000017777944 553599631 /nfs/dbraw/zinc/59/96/31/553599631.db2.gz UKWMYKCAUUUUCA-HSZRJFAPSA-N -1 0 596.042 5.629 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)C2[C@@H]1c1ccc(F)cc1 ZINC000018033892 553601845 /nfs/dbraw/zinc/60/18/45/553601845.db2.gz QJWJZTNUTYDFGW-SLQAJWMNSA-N -1 0 529.524 5.499 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070692100 553609647 /nfs/dbraw/zinc/60/96/47/553609647.db2.gz IJEVCNPWWCDYER-LHJIDTSSSA-N -1 0 632.882 9.131 50 30 biogenic KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198753 553609679 /nfs/dbraw/zinc/60/96/79/553609679.db2.gz QGETYLJENXUMQL-KMRXNPHXSA-N -1 0 523.658 7.022 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(=O)[O-])cc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000018198635 553609697 /nfs/dbraw/zinc/60/96/97/553609697.db2.gz XRRATVUXOKDZQE-WINIVTDRSA-N -1 0 515.562 5.377 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018198588 553609719 /nfs/dbraw/zinc/60/97/19/553609719.db2.gz DWAURIBQDLEZRT-QYBDOPJKSA-N -1 0 511.603 5.907 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198653 553609728 /nfs/dbraw/zinc/60/97/28/553609728.db2.gz OHSQMYCYKVKTOF-IVCQMTBJSA-N -1 0 516.022 6.552 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070697639 553612944 /nfs/dbraw/zinc/61/29/44/553612944.db2.gz CHMTXOPXGPSBSU-SAKHCFOHSA-N -1 0 542.804 8.991 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070698307 553614120 /nfs/dbraw/zinc/61/41/20/553614120.db2.gz OAZAZBRWAMEGCZ-LRTDGLNHSA-N -1 0 532.765 8.584 50 30 biogenic KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019938757 553637788 /nfs/dbraw/zinc/63/77/88/553637788.db2.gz CSSITDPKQNXPQD-SOKVYYICSA-N -1 0 501.539 5.687 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019938760 553637809 /nfs/dbraw/zinc/63/78/09/553637809.db2.gz CSSITDPKQNXPQD-XGCWNURASA-N -1 0 501.539 5.687 50 30 KKEARM O=S(=O)(Oc1ccc2ccccc2c1)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Oc3ccc4ccccc4c3)ccc1-2 ZINC000094815667 553697760 /nfs/dbraw/zinc/69/77/60/553697760.db2.gz KLLXAZIVRXBUDO-UHFFFAOYSA-N -1 0 607.665 6.735 50 30 KKEARM O=[N+]([O-])c1ccccc1[N-]c1nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1 ZINC000095100404 553698959 /nfs/dbraw/zinc/69/89/59/553698959.db2.gz RTSGLJDSCQCGSK-UHFFFAOYSA-N -1 0 653.224 7.373 50 30 KKEARM N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1OCC(F)(F)F ZINC000095660903 553706745 /nfs/dbraw/zinc/70/67/45/553706745.db2.gz HTBRXSMOBSPZOJ-UHFFFAOYSA-N -1 0 523.238 5.548 50 30 KKEARM CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(/N=C\c3cc(Br)cc(Br)c3[O-])cc2)n1 ZINC000095704611 553709167 /nfs/dbraw/zinc/70/91/67/553709167.db2.gz SVRAXVROVJPGJK-VYYCAZPPSA-N -1 0 533.308 7.449 50 30 KKEARM COc1cc(C)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C ZINC000096006179 553716332 /nfs/dbraw/zinc/71/63/32/553716332.db2.gz NQBMMDHCYHDJEI-SLJZLMJFSA-N -1 0 500.620 6.629 50 30 KKEARM O=S(=O)(N=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc(F)cc1)c1ccccc1 ZINC000096022569 553721481 /nfs/dbraw/zinc/72/14/81/553721481.db2.gz OWMZVWZHXXXELA-UHFFFAOYSA-N -1 0 578.474 6.181 50 30 KKEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)cc1Cl ZINC000096115198 553725673 /nfs/dbraw/zinc/72/56/73/553725673.db2.gz LFIFDWZNHVLGIQ-NRFANRHFSA-N -1 0 520.965 6.175 50 30 biogenic KKEARM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000096287849 553738867 /nfs/dbraw/zinc/73/88/67/553738867.db2.gz GLHPGZLPYRNVAR-SKCUWOTOSA-N -1 0 510.546 5.405 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939993 553763016 /nfs/dbraw/zinc/76/30/16/553763016.db2.gz RRLYUKPELBVMDM-MMTVBGGISA-N -1 0 574.655 5.908 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939994 553763071 /nfs/dbraw/zinc/76/30/71/553763071.db2.gz RRLYUKPELBVMDM-WTYVLRPYSA-N -1 0 574.655 5.908 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097940011 553763272 /nfs/dbraw/zinc/76/32/72/553763272.db2.gz NDCFZRYTJPPKGU-WHLCRQNOSA-N -1 0 590.654 5.744 50 30 KKEARM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000097944425 553769268 /nfs/dbraw/zinc/76/92/68/553769268.db2.gz NHEXVYFGQSOYBR-SRCHPAMYSA-N -1 0 576.505 7.903 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097944438 553769579 /nfs/dbraw/zinc/76/95/79/553769579.db2.gz GEMDCZZJCLDKEH-XNXLFWIOSA-N -1 0 589.673 7.038 50 30 KKEARM CC(C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000097945307 553771185 /nfs/dbraw/zinc/77/11/85/553771185.db2.gz FMTUKUXXOIGVDR-UHFFFAOYSA-N -1 0 521.623 5.790 50 30 KKEARM CCCCCCCCCCC/C=C/CCCCC[C@@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000097950065 553803447 /nfs/dbraw/zinc/80/34/47/553803447.db2.gz ZTJKYXYHCNKSJH-JYSHFMIGSA-N -1 0 525.734 7.372 50 30 KKEARM CCCCCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000097951396 553808898 /nfs/dbraw/zinc/80/88/98/553808898.db2.gz YWUUROIZFQFVPY-UHFFFAOYSA-N -1 0 515.670 5.818 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955093 553828309 /nfs/dbraw/zinc/82/83/09/553828309.db2.gz KCWSQGLZNSUALN-ZLOXQWCVSA-N -1 0 565.420 6.304 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955098 553828765 /nfs/dbraw/zinc/82/87/65/553828765.db2.gz TZWIOFFRPCDVQH-JCQPUDPBSA-N -1 0 537.424 6.709 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955145 553829071 /nfs/dbraw/zinc/82/90/71/553829071.db2.gz PKIBAAPQKOEGNY-JCQPUDPBSA-N -1 0 520.969 6.195 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000097955738 553833620 /nfs/dbraw/zinc/83/36/20/553833620.db2.gz UPOYRDYLGPRMFH-RCDICMHDSA-N -1 0 534.565 5.040 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097955836 553834171 /nfs/dbraw/zinc/83/41/71/553834171.db2.gz JTRKYSNNLOICRC-VWLOTQADSA-N -1 0 526.570 5.276 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000097955819 553834209 /nfs/dbraw/zinc/83/42/09/553834209.db2.gz AEUUSYFXXRZTGH-AREMUKBSSA-N -1 0 526.614 6.212 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097956804 553841805 /nfs/dbraw/zinc/84/18/05/553841805.db2.gz SVFFIBAJYFKRML-FQEVSTJZSA-N -1 0 526.998 5.382 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956807 553841954 /nfs/dbraw/zinc/84/19/54/553841954.db2.gz FVTKYUWUKGMJGG-RUZDIDTESA-N -1 0 570.623 6.130 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097956862 553842716 /nfs/dbraw/zinc/84/27/16/553842716.db2.gz FFTWLGZPWPGMRA-QHCPKHFHSA-N -1 0 548.592 5.590 50 30 KKEARM COc1cc(Br)c(Br)c(/C=N/c2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000097958502 553855147 /nfs/dbraw/zinc/85/51/47/553855147.db2.gz HTHVHCYOHSUDMZ-NSKAYECMSA-N -1 0 546.215 6.807 50 30 KKEARM COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(I)cc(I)c1[O-] ZINC000097958579 553855926 /nfs/dbraw/zinc/85/59/26/553855926.db2.gz OLYMHSFGDJLTMN-BHGWPJFGSA-N -1 0 596.162 6.169 50 30 KKEARM C[C@H](O/N=C(/C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)N1CCCCC1 ZINC000097960725 553873255 /nfs/dbraw/zinc/87/32/55/553873255.db2.gz ZSOQGDKLURCFGB-AQGKQQEDSA-N -1 0 568.699 5.753 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003978605 561692171 /nfs/dbraw/zinc/69/21/71/561692171.db2.gz XDHCWTUZCOFKRH-CIKBGXLUSA-N -1 0 512.731 6.839 50 30 in-vivo KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967276 553916151 /nfs/dbraw/zinc/91/61/51/553916151.db2.gz UGGMAUWYQQHSKB-DLUDVSRJSA-N -1 0 581.477 7.108 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967324 553916746 /nfs/dbraw/zinc/91/67/46/553916746.db2.gz QRUCWGBDRFNKLQ-NPMABZOXSA-N -1 0 565.420 6.304 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967497 553919488 /nfs/dbraw/zinc/91/94/88/553919488.db2.gz AHTBQTNYGQAKDN-SMSORMJASA-N -1 0 641.815 7.670 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097967580 553920532 /nfs/dbraw/zinc/92/05/32/553920532.db2.gz XQHJSVUEZFVOCF-QHCPKHFHSA-N -1 0 579.428 5.622 50 30 KKEARM CCCc1sc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c2C)c(C#N)c1C ZINC000033332201 553921018 /nfs/dbraw/zinc/92/10/18/553921018.db2.gz XHFDFJYQVYGPDE-BKUYFWCQSA-N -1 0 502.665 6.268 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033332293 553921123 /nfs/dbraw/zinc/92/11/23/553921123.db2.gz GMPDSISELJCTOI-NDENLUEZSA-N -1 0 521.067 6.231 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967653 553921470 /nfs/dbraw/zinc/92/14/70/553921470.db2.gz LZRYSKVQLKYAJP-HFJWLAOPSA-N -1 0 585.707 6.254 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967690 553921723 /nfs/dbraw/zinc/92/17/23/553921723.db2.gz DHPUARWSFKWTAH-TWEZTRHFSA-N -1 0 741.891 9.068 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097967683 553921839 /nfs/dbraw/zinc/92/18/39/553921839.db2.gz WPEBPSGZKKPAGL-PMERELPUSA-N -1 0 630.719 6.683 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967704 553921844 /nfs/dbraw/zinc/92/18/44/553921844.db2.gz AUDIOSAGIXFCJF-ROTAYESASA-N -1 0 706.286 8.558 50 30 KKEARM Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(I)cc(I)c2[O-])c1 ZINC000033353068 553922915 /nfs/dbraw/zinc/92/29/15/553922915.db2.gz RYGIRRZKQXRKSM-WYMPLXKRSA-N -1 0 582.179 5.913 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1cc(-c2ccccc2)ccc1O ZINC000033353067 553922917 /nfs/dbraw/zinc/92/29/17/553922917.db2.gz SDFPITRRLRXYHA-SSDVNMTOSA-N -1 0 541.126 5.725 50 30 KKEARM CC(C)CCN(CCC(C)C)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCC(C)C)CCC(C)C)cc1[N+](=O)[O-])C2=N[O-] ZINC000033353138 553923027 /nfs/dbraw/zinc/92/30/27/553923027.db2.gz NXWNSNUKCYBKLZ-UHFFFAOYSA-N -1 0 723.915 6.876 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967828 553923564 /nfs/dbraw/zinc/92/35/64/553923564.db2.gz IDQIMHRJIATBES-OWJWWREXSA-N -1 0 577.634 6.215 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967811 553923607 /nfs/dbraw/zinc/92/36/07/553923607.db2.gz NJEQMFHQUVQSEO-YRVHBCJASA-N -1 0 619.139 7.490 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097967854 553923919 /nfs/dbraw/zinc/92/39/19/553923919.db2.gz NXCVWUZIHWXKHL-YTTGMZPUSA-N -1 0 693.803 7.362 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967851 553924127 /nfs/dbraw/zinc/92/41/27/553924127.db2.gz VUOHDBJGJHSMNN-LDLUVENISA-N -1 0 712.677 8.431 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967865 553924359 /nfs/dbraw/zinc/92/43/59/553924359.db2.gz ZDPFFHAHSJRRKP-DEOSSOPVSA-N -1 0 591.642 5.532 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967888 553924373 /nfs/dbraw/zinc/92/43/73/553924373.db2.gz RRCSXHKNYCYNCU-RUZDIDTESA-N -1 0 578.643 5.396 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967880 553924464 /nfs/dbraw/zinc/92/44/64/553924464.db2.gz UIZNVBVRPNRAGH-AREMUKBSSA-N -1 0 617.680 6.088 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967878 553924559 /nfs/dbraw/zinc/92/45/59/553924559.db2.gz HOFFWJVFEFIQKB-JGCGQSQUSA-N -1 0 695.819 7.725 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967923 553925442 /nfs/dbraw/zinc/92/54/42/553925442.db2.gz NNYRPFRHBMAJDH-SSEXGKCCSA-N -1 0 708.258 8.006 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967930 553925477 /nfs/dbraw/zinc/92/54/77/553925477.db2.gz XZKKJLVXNREWMC-UUWRZZSWSA-N -1 0 699.810 8.117 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967929 553925501 /nfs/dbraw/zinc/92/55/01/553925501.db2.gz MLRNZJPIISMKME-LJAQVGFWSA-N -1 0 694.231 7.616 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967983 553925655 /nfs/dbraw/zinc/92/56/55/553925655.db2.gz TZAWULTVEYQWLQ-MUUNZHRXSA-N -1 0 664.205 7.607 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967953 553925791 /nfs/dbraw/zinc/92/57/91/553925791.db2.gz NOQBVTPNXLWNOH-SONOPUAISA-N -1 0 678.232 7.778 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967997 553926140 /nfs/dbraw/zinc/92/61/40/553926140.db2.gz QLPDDCKTSIZZEL-HKBQPEDESA-N -1 0 663.777 7.272 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097968008 553926205 /nfs/dbraw/zinc/92/62/05/553926205.db2.gz ZSLBLIASEMFZGN-BHVANESWSA-N -1 0 743.863 8.515 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968081 553927310 /nfs/dbraw/zinc/92/73/10/553927310.db2.gz FXUHWXCZLQFBCA-SANMLTNESA-N -1 0 603.697 6.647 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968107 553927951 /nfs/dbraw/zinc/92/79/51/553927951.db2.gz AULUGEMZVSFNTB-OYLFLEFRSA-N -1 0 594.089 6.729 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968140 553928290 /nfs/dbraw/zinc/92/82/90/553928290.db2.gz MYZDVXFCBJTFIY-OYLFLEFRSA-N -1 0 592.098 6.296 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968137 553928305 /nfs/dbraw/zinc/92/83/05/553928305.db2.gz WDSYBBCGYMQJDO-NDEPHWFRSA-N -1 0 647.750 7.093 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968180 553928652 /nfs/dbraw/zinc/92/86/52/553928652.db2.gz ZZQLHPFTIJGJIS-SSEXGKCCSA-N -1 0 667.740 7.103 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968181 553928754 /nfs/dbraw/zinc/92/87/54/553928754.db2.gz ZZQLHPFTIJGJIS-PMERELPUSA-N -1 0 667.740 7.103 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968224 553929105 /nfs/dbraw/zinc/92/91/05/553929105.db2.gz GIRPCHSRKHFDSK-MUUNZHRXSA-N -1 0 664.205 7.607 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097968221 553929121 /nfs/dbraw/zinc/92/91/21/553929121.db2.gz GXTGLEXZEVHBKH-YTTGMZPUSA-N -1 0 711.793 7.501 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968227 553929222 /nfs/dbraw/zinc/92/92/22/553929222.db2.gz SKHLCEVCIHEOGY-SOKVYYICSA-N -1 0 668.624 8.032 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097968259 553929503 /nfs/dbraw/zinc/92/95/03/553929503.db2.gz HMHRHUWNNALJLP-YTTGMZPUSA-N -1 0 728.248 8.016 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968235 553929568 /nfs/dbraw/zinc/92/95/68/553929568.db2.gz HXTMSVDTAFEYJU-DEOSSOPVSA-N -1 0 636.107 5.825 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968341 553930655 /nfs/dbraw/zinc/93/06/55/553930655.db2.gz SQWKXVLEBPNVIA-WJOKGBTCSA-N -1 0 687.840 7.661 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968406 553931958 /nfs/dbraw/zinc/93/19/58/553931958.db2.gz ZFNCNKOWNWQFCI-SSEXGKCCSA-N -1 0 673.813 7.352 50 30 KKEARM CCOc1cccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)c1 ZINC000033355549 553935510 /nfs/dbraw/zinc/93/55/10/553935510.db2.gz XPYJSTDNTVQBEV-UUYOSTAYSA-N -1 0 562.445 5.970 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000033355647 553935836 /nfs/dbraw/zinc/93/58/36/553935836.db2.gz GMCUHKJVWDYORJ-QYBDOPJKSA-N -1 0 546.601 5.476 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969122 553936864 /nfs/dbraw/zinc/93/68/64/553936864.db2.gz VWHFSYNIMIFKAS-BGOLNKOXSA-N -1 0 682.223 8.169 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097969175 553937470 /nfs/dbraw/zinc/93/74/70/553937470.db2.gz SKRMMPJOKWQXRQ-ZAMGYDSWSA-N -1 0 581.875 6.819 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969200 553937824 /nfs/dbraw/zinc/93/78/24/553937824.db2.gz WHALWRZCWJRFPQ-JPZYQRIQSA-N -1 0 647.778 7.516 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000097969270 553938741 /nfs/dbraw/zinc/93/87/41/553938741.db2.gz DHZHZEHZXHOIBO-HHHXNRCGSA-N -1 0 598.652 6.604 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969338 553939692 /nfs/dbraw/zinc/93/96/92/553939692.db2.gz WHQXNSFCKMKFMA-XHCCPWGMSA-N -1 0 597.718 6.502 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969321 553939789 /nfs/dbraw/zinc/93/97/89/553939789.db2.gz UFPNYWSDGXRUHU-YTTGMZPUSA-N -1 0 660.748 8.091 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097969352 553940144 /nfs/dbraw/zinc/94/01/44/553940144.db2.gz VMQLPWCVMRDZBD-DAOPMYJZSA-N -1 0 555.414 6.849 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097969342 553940214 /nfs/dbraw/zinc/94/02/14/553940214.db2.gz RVFBZUUSSBOFIF-BZQUYTCOSA-N -1 0 591.483 6.564 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969734 553944162 /nfs/dbraw/zinc/94/41/62/553944162.db2.gz KCRJCYIUCXXRLV-ADXZGYQBSA-N -1 0 659.761 7.039 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969802 553945049 /nfs/dbraw/zinc/94/50/49/553945049.db2.gz AMHBIEZHIKSDKD-KEEVHDRGSA-N -1 0 675.804 7.653 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969838 553945604 /nfs/dbraw/zinc/94/56/04/553945604.db2.gz KXGYQRZJBARZSK-XDBZFTIUSA-N -1 0 682.651 8.422 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969877 553946578 /nfs/dbraw/zinc/94/65/78/553946578.db2.gz KXDXKEJYRGLENW-QUGAMOGWSA-N -1 0 606.697 5.922 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969910 553946851 /nfs/dbraw/zinc/94/68/51/553946851.db2.gz FGZQKCDTOTUZRF-BGOLNKOXSA-N -1 0 665.768 7.655 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969930 553947416 /nfs/dbraw/zinc/94/74/16/553947416.db2.gz RNNWUVCNSWVOAV-JBEBIEQOSA-N -1 0 561.015 5.843 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970052 553948474 /nfs/dbraw/zinc/94/84/74/553948474.db2.gz PYXPWTNMGLEOJT-ULKXQASOSA-N -1 0 726.276 8.568 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970084 553948991 /nfs/dbraw/zinc/94/89/91/553948991.db2.gz NTIWBJYMIOKGIL-DNOBIOAJSA-N -1 0 634.179 7.379 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970082 553949074 /nfs/dbraw/zinc/94/90/74/553949074.db2.gz NTIWBJYMIOKGIL-XRHLQHRESA-N -1 0 634.179 7.379 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000097970054 553949083 /nfs/dbraw/zinc/94/90/83/553949083.db2.gz PYXPWTNMGLEOJT-DHYKOVJISA-N -1 0 726.276 8.568 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970197 553950870 /nfs/dbraw/zinc/95/08/70/553950870.db2.gz UQNYJGMXKNFWLD-BGOLNKOXSA-N -1 0 689.831 8.044 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970229 553951098 /nfs/dbraw/zinc/95/10/98/553951098.db2.gz KUJPFCDOETZZLO-KCWXNJEJSA-N -1 0 627.788 7.362 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970421 553953666 /nfs/dbraw/zinc/95/36/66/553953666.db2.gz XUDSBENVHAIAHX-DMZKTXOQSA-N -1 0 641.496 5.377 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097970409 553953717 /nfs/dbraw/zinc/95/37/17/553953717.db2.gz KZIHFEIHDFKNLJ-DFXYEROKSA-N -1 0 657.814 7.514 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970432 553954192 /nfs/dbraw/zinc/95/41/92/553954192.db2.gz HWJRXJRFVWQPMP-RKNYENMMSA-N -1 0 567.450 6.718 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970525 553955483 /nfs/dbraw/zinc/95/54/83/553955483.db2.gz QXKHCNZXMLNJDA-HFJWLAOPSA-N -1 0 585.707 6.335 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970526 553955574 /nfs/dbraw/zinc/95/55/74/553955574.db2.gz QXKHCNZXMLNJDA-QYBDOPJKSA-N -1 0 585.707 6.335 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970563 553955850 /nfs/dbraw/zinc/95/58/50/553955850.db2.gz GZRSESOBCJBNCF-BGOLNKOXSA-N -1 0 706.286 8.558 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970605 553956342 /nfs/dbraw/zinc/95/63/42/553956342.db2.gz CJSBRYRZCMCVEJ-OYLFLEFRSA-N -1 0 610.544 7.244 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970648 553957182 /nfs/dbraw/zinc/95/71/82/553957182.db2.gz FPQWFEQPZUUKFO-ACSYHNTCSA-N -1 0 645.778 7.645 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970696 553957464 /nfs/dbraw/zinc/95/74/64/553957464.db2.gz RSEGNZCTDVBTEP-NSYGIPOTSA-N -1 0 571.680 5.945 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(SC(F)F)cc2)cc1 ZINC000097984063 554013819 /nfs/dbraw/zinc/01/38/19/554013819.db2.gz PDROOUDBVKNANS-ATZGPIRCSA-N -1 0 681.703 6.225 50 30 KKEARM Cc1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3C)nc2c1 ZINC000097994464 554031829 /nfs/dbraw/zinc/03/18/29/554031829.db2.gz TTWQKSBQLSXNDT-OPEKNORGSA-N -1 0 594.190 6.777 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000097997714 554040262 /nfs/dbraw/zinc/04/02/62/554040262.db2.gz OCBAYUAEAVEEDQ-ULJHMMPZSA-N -1 0 519.768 5.325 50 30 KKEARM COc1ccccc1-c1nc2cc(/N=C/c3cc(I)cc(I)c3[O-])ccc2o1 ZINC000097997796 554040483 /nfs/dbraw/zinc/04/04/83/554040483.db2.gz SISDCWIRNNXMFT-BHGWPJFGSA-N -1 0 596.162 6.169 50 30 KKEARM CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999860 554046467 /nfs/dbraw/zinc/04/64/67/554046467.db2.gz PVDPLAQFKGFUOT-MRFARIQKSA-N -1 0 665.186 8.392 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000098045380 554131228 /nfs/dbraw/zinc/13/12/28/554131228.db2.gz BFQWJVIEEVHIMC-FQEVSTJZSA-N -1 0 531.175 6.134 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046470 554139496 /nfs/dbraw/zinc/13/94/96/554139496.db2.gz MILBGRCOJNHZMF-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046485 554139700 /nfs/dbraw/zinc/13/97/00/554139700.db2.gz GVQIFQORRLGGOW-VWLOTQADSA-N -1 0 644.577 8.238 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098046501 554139722 /nfs/dbraw/zinc/13/97/22/554139722.db2.gz QETLVDXQCGNAFE-QFIPXVFZSA-N -1 0 613.048 6.323 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046495 554139983 /nfs/dbraw/zinc/13/99/83/554139983.db2.gz KOLUCLXLEYYJQL-NDEPHWFRSA-N -1 0 625.703 7.553 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098046535 554140352 /nfs/dbraw/zinc/14/03/52/554140352.db2.gz MHVXCWTYQBADDU-GDLZYMKVSA-N -1 0 676.216 8.591 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046665 554142037 /nfs/dbraw/zinc/14/20/37/554142037.db2.gz GYPCVEUZHSBXPE-JOCHJYFZSA-N -1 0 565.604 5.498 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098046680 554142365 /nfs/dbraw/zinc/14/23/65/554142365.db2.gz GFVGAYVZBXPFDZ-SANMLTNESA-N -1 0 556.615 6.464 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1 ZINC000098046842 554144051 /nfs/dbraw/zinc/14/40/51/554144051.db2.gz JNJGKKUAOLJZJA-OAQYLSRUSA-N -1 0 535.050 5.970 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000098046852 554144395 /nfs/dbraw/zinc/14/43/95/554144395.db2.gz WMXVZEMKHIKAIU-OAQYLSRUSA-N -1 0 599.687 5.840 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046850 554144413 /nfs/dbraw/zinc/14/44/13/554144413.db2.gz OLPWMGBUFYDSNA-JOCHJYFZSA-N -1 0 568.051 6.414 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000098046853 554144446 /nfs/dbraw/zinc/14/44/46/554144446.db2.gz WMXVZEMKHIKAIU-NRFANRHFSA-N -1 0 599.687 5.840 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047266 554148277 /nfs/dbraw/zinc/14/82/77/554148277.db2.gz XMFGJGIGZDTHCX-NDEPHWFRSA-N -1 0 643.718 7.019 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1F ZINC000098047267 554148449 /nfs/dbraw/zinc/14/84/49/554148449.db2.gz PWSNIRYZAGVXPO-JGCGQSQUSA-N -1 0 699.826 8.348 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccnc2)cc1 ZINC000098047337 554149561 /nfs/dbraw/zinc/14/95/61/554149561.db2.gz DZRXDZCNOZGFGQ-DEOSSOPVSA-N -1 0 576.675 6.326 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047356 554149616 /nfs/dbraw/zinc/14/96/16/554149616.db2.gz PTWBRFSRVYCJLL-WJOKGBTCSA-N -1 0 684.239 9.238 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047341 554149699 /nfs/dbraw/zinc/14/96/99/554149699.db2.gz SQQJPUYUWKIEGA-HKBQPEDESA-N -1 0 667.784 8.724 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047368 554150001 /nfs/dbraw/zinc/15/00/01/554150001.db2.gz ZMJLSXVMALZUTQ-HHHXNRCGSA-N -1 0 601.750 7.191 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098047366 554150026 /nfs/dbraw/zinc/15/00/26/554150026.db2.gz XGIKIBVAYGAPHD-RUZDIDTESA-N -1 0 671.038 8.208 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2)cc1 ZINC000098047377 554150050 /nfs/dbraw/zinc/15/00/50/554150050.db2.gz KQVVRADDHXGCDY-VWLOTQADSA-N -1 0 557.697 6.792 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047382 554150084 /nfs/dbraw/zinc/15/00/84/554150084.db2.gz JUYURUQXLLORPE-AREMUKBSSA-N -1 0 587.723 6.801 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047390 554150375 /nfs/dbraw/zinc/15/03/75/554150375.db2.gz RBSYUPAWYFAYTE-RUZDIDTESA-N -1 0 644.577 8.156 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047391 554150638 /nfs/dbraw/zinc/15/06/38/554150638.db2.gz RBSYUPAWYFAYTE-VWLOTQADSA-N -1 0 644.577 8.156 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047477 554151264 /nfs/dbraw/zinc/15/12/64/554151264.db2.gz GSXOEHICQPRRHP-LJAQVGFWSA-N -1 0 678.232 8.019 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098047452 554151282 /nfs/dbraw/zinc/15/12/82/554151282.db2.gz RVMPYFFFSIADBS-SSEXGKCCSA-N -1 0 678.276 9.015 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047471 554151507 /nfs/dbraw/zinc/15/15/07/554151507.db2.gz UKKFSEMTVDOQRE-YTTGMZPUSA-N -1 0 663.821 8.371 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098047511 554152125 /nfs/dbraw/zinc/15/21/25/554152125.db2.gz ZPNFMSSIUYOSHU-JGCGQSQUSA-N -1 0 722.329 9.413 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000098047522 554152259 /nfs/dbraw/zinc/15/22/59/554152259.db2.gz YDSPLYPBZBJGJR-MUUNZHRXSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047655 554153906 /nfs/dbraw/zinc/15/39/06/554153906.db2.gz JDPCANOYHHVEKA-MUUNZHRXSA-N -1 0 631.776 7.200 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047658 554153910 /nfs/dbraw/zinc/15/39/10/554153910.db2.gz WVGLVAZVINLUGC-SANMLTNESA-N -1 0 615.733 6.579 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047632 554153930 /nfs/dbraw/zinc/15/39/30/554153930.db2.gz VMUWOROQKPFMRS-VWLOTQADSA-N -1 0 620.684 6.840 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047644 554153984 /nfs/dbraw/zinc/15/39/84/554153984.db2.gz XKDCLKAXDITKTK-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047684 554154567 /nfs/dbraw/zinc/15/45/67/554154567.db2.gz YEBLCYVNCHHCSE-HKBQPEDESA-N -1 0 708.302 8.879 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1F ZINC000098047702 554154839 /nfs/dbraw/zinc/15/48/39/554154839.db2.gz MHEVBXWMPSTCPD-SANMLTNESA-N -1 0 583.666 6.914 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047726 554155041 /nfs/dbraw/zinc/15/50/41/554155041.db2.gz PMFARINWCWNTSP-MHZLTWQESA-N -1 0 613.692 6.923 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047734 554155296 /nfs/dbraw/zinc/15/52/96/554155296.db2.gz UZQUCIKCKFETDO-LJAQVGFWSA-N -1 0 641.746 7.703 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047732 554155302 /nfs/dbraw/zinc/15/53/02/554155302.db2.gz HAJCPLARIOWHGV-YTTGMZPUSA-N -1 0 675.763 8.707 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1F ZINC000098047738 554155481 /nfs/dbraw/zinc/15/54/81/554155481.db2.gz QLNVTEKSUACMQH-SANMLTNESA-N -1 0 599.665 6.620 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1OC ZINC000098047773 554155772 /nfs/dbraw/zinc/15/57/72/554155772.db2.gz RKJIWXGARLUGHG-HHHXNRCGSA-N -1 0 595.702 6.784 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047787 554155844 /nfs/dbraw/zinc/15/58/44/554155844.db2.gz BOEPDRYJXGLFSC-GDLZYMKVSA-N -1 0 655.754 6.888 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047816 554156217 /nfs/dbraw/zinc/15/62/17/554156217.db2.gz LLHSQHMOKDLPIC-PMERELPUSA-N -1 0 653.782 7.573 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047788 554156258 /nfs/dbraw/zinc/15/62/58/554156258.db2.gz BOEPDRYJXGLFSC-LJAQVGFWSA-N -1 0 655.754 6.888 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047812 554156299 /nfs/dbraw/zinc/15/62/99/554156299.db2.gz BEHDQVVIWQFKQH-YTTGMZPUSA-N -1 0 681.836 8.353 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047833 554156589 /nfs/dbraw/zinc/15/65/89/554156589.db2.gz BGWSNXTXSKBUSJ-MUUNZHRXSA-N -1 0 678.594 9.160 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1F ZINC000098047848 554157055 /nfs/dbraw/zinc/15/70/55/554157055.db2.gz YUKGOENNJKUOSY-SANMLTNESA-N -1 0 585.657 7.353 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1OC ZINC000098047855 554157113 /nfs/dbraw/zinc/15/71/13/554157113.db2.gz ZUPDUKMJXVVJIK-RUZDIDTESA-N -1 0 601.731 6.845 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100006075 554178232 /nfs/dbraw/zinc/17/82/32/554178232.db2.gz BXOPNGFOBBGGCU-SXBRIOAWSA-N -1 0 534.428 6.539 50 30 KKEARM C=CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000100079080 554205755 /nfs/dbraw/zinc/20/57/55/554205755.db2.gz UGRZMVFVPBTLHC-NVNXTCNLSA-N -1 0 554.622 5.934 50 30 KKEARM CCN=C(Nc1cc(Cl)c([O-])c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000100092337 554212662 /nfs/dbraw/zinc/21/26/62/554212662.db2.gz VYPHNTBTYYCSMB-OAHLLOKOSA-N -1 0 538.787 5.720 50 30 KKEARM CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(C(=O)[O-])ccc32)cc1 ZINC000036310635 554218168 /nfs/dbraw/zinc/21/81/68/554218168.db2.gz NXDZVUAKVFVDSL-UHFFFAOYSA-N -1 0 523.626 6.294 50 30 in-vitro KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000100149632 554231399 /nfs/dbraw/zinc/23/13/99/554231399.db2.gz CIVCZACVNKGVDY-KOEQRZSOSA-N -1 0 509.216 6.070 50 30 KKEARM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100215669 554250061 /nfs/dbraw/zinc/25/00/61/554250061.db2.gz GYKIOAVEGDOGIJ-XXCIOWNUSA-N -1 0 548.418 5.832 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N2CC(C)C)cc1 ZINC000100260225 554265289 /nfs/dbraw/zinc/26/52/89/554265289.db2.gz DLDGIEATOCBYMR-YKHCWLLVSA-N -1 0 540.277 6.186 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N\c3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCC(=O)[O-] ZINC000100276101 554272785 /nfs/dbraw/zinc/27/27/85/554272785.db2.gz JXICLLZRGVIRCQ-SSDILRPVSA-N -1 0 571.655 5.885 50 30 KKEARM CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)[O-])c2)[nH]1 ZINC000043587302 554298764 /nfs/dbraw/zinc/29/87/64/554298764.db2.gz NXAUEXYFBZEKAE-UHFFFAOYSA-N -1 0 614.849 9.479 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053291238 554331583 /nfs/dbraw/zinc/33/15/83/554331583.db2.gz YGAJDMZKOBQSQV-NRFANRHFSA-N -1 0 520.588 5.326 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053291630 554331818 /nfs/dbraw/zinc/33/18/18/554331818.db2.gz OZLYJYQEWULCCQ-OAQYLSRUSA-N -1 0 522.941 5.658 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291941 554331998 /nfs/dbraw/zinc/33/19/98/554331998.db2.gz UXHQWFYGRDMQAL-QFIPXVFZSA-N -1 0 519.966 6.258 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053291523 554332057 /nfs/dbraw/zinc/33/20/57/554332057.db2.gz JAVADCPRQIVSAK-JOCHJYFZSA-N -1 0 552.630 5.565 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000053292173 554332447 /nfs/dbraw/zinc/33/24/47/554332447.db2.gz DBLVHZDETBYRKD-FQEVSTJZSA-N -1 0 531.175 6.134 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053306738 554334177 /nfs/dbraw/zinc/33/41/77/554334177.db2.gz PVDVYESUWYMKMP-HXUWFJFHSA-N -1 0 571.449 5.491 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053306667 554334191 /nfs/dbraw/zinc/33/41/91/554334191.db2.gz WZEAMWYWJGYBCA-NRFANRHFSA-N -1 0 583.460 5.657 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306914 554334640 /nfs/dbraw/zinc/33/46/40/554334640.db2.gz DICJVILJXIRMTE-QFIPXVFZSA-N -1 0 535.419 6.240 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053307001 554334850 /nfs/dbraw/zinc/33/48/50/554334850.db2.gz OGHXRBKLOUSPDW-MQNRADLISA-N -1 0 557.584 5.710 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053307347 554335134 /nfs/dbraw/zinc/33/51/34/554335134.db2.gz MUYPMJYNIYKQHK-QFIPXVFZSA-N -1 0 569.864 6.894 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000053319312 554337299 /nfs/dbraw/zinc/33/72/99/554337299.db2.gz WENUAHDVPLDGDW-FQEVSTJZSA-N -1 0 551.231 5.435 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000053319495 554338261 /nfs/dbraw/zinc/33/82/61/554338261.db2.gz DRYJSNDYYCJCJD-IBGZPJMESA-N -1 0 514.719 5.189 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000053319482 554338299 /nfs/dbraw/zinc/33/82/99/554338299.db2.gz UNGHTZTZEGODCR-NRFANRHFSA-N -1 0 551.577 5.025 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053332359 554339080 /nfs/dbraw/zinc/33/90/80/554339080.db2.gz HWJRXJRFVWQPMP-OZAJXLCCSA-N -1 0 567.450 6.718 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053333624 554339683 /nfs/dbraw/zinc/33/96/83/554339683.db2.gz SDOZOKKFGUHRRZ-JOCHJYFZSA-N -1 0 539.396 6.157 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053335738 554340946 /nfs/dbraw/zinc/34/09/46/554340946.db2.gz GHNZOHDWWXPRBM-DEOSSOPVSA-N -1 0 549.004 5.903 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053336027 554341384 /nfs/dbraw/zinc/34/13/84/554341384.db2.gz BTXOEIXWXPHJRF-RUZDIDTESA-N -1 0 561.015 6.069 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337880 554342526 /nfs/dbraw/zinc/34/25/26/554342526.db2.gz HFVOJCAJLVCJFD-QHCPKHFHSA-N -1 0 534.977 5.512 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053340670 554344187 /nfs/dbraw/zinc/34/41/87/554344187.db2.gz DNMISWFTXQNGDM-NRFANRHFSA-N -1 0 532.312 6.259 50 30 KKEARM O=c1c(N=Nc2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100512271 554408684 /nfs/dbraw/zinc/40/86/84/554408684.db2.gz IUFKCMDAFZAELG-PJJLUWSFSA-N -1 0 515.598 6.821 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000100512424 554408711 /nfs/dbraw/zinc/40/87/11/554408711.db2.gz UJBJHQBWBBRWJS-KOEQRZSOSA-N -1 0 509.216 6.070 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000100527783 554410165 /nfs/dbraw/zinc/41/01/65/554410165.db2.gz FRSCIIODKHRFPE-OGLMXYFKSA-N -1 0 542.768 6.435 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000100674861 554443333 /nfs/dbraw/zinc/44/33/33/554443333.db2.gz MOIUDXVUGIWLIV-XMMPIXPASA-N -1 0 566.651 6.365 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677211 554444191 /nfs/dbraw/zinc/44/41/91/554444191.db2.gz OVVOIUDJPYTSCC-LJQANCHMSA-N -1 0 549.407 6.165 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100677184 554444252 /nfs/dbraw/zinc/44/42/52/554444252.db2.gz LOODHLIENQRIPE-QHCPKHFHSA-N -1 0 566.607 5.432 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)c(OC)c2)cc1 ZINC000100677764 554444882 /nfs/dbraw/zinc/44/48/82/554444882.db2.gz IGEXOAORPFQNFF-AREMUKBSSA-N -1 0 608.713 6.387 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100679388 554445391 /nfs/dbraw/zinc/44/53/91/554445391.db2.gz RECMOFRKXWMAEW-QFIPXVFZSA-N -1 0 589.497 6.897 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100679594 554445686 /nfs/dbraw/zinc/44/56/86/554445686.db2.gz JXDUTKNCZVBARK-JOCHJYFZSA-N -1 0 538.597 5.729 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100679971 554446026 /nfs/dbraw/zinc/44/60/26/554446026.db2.gz DHNKAEZRYGWPMW-HHHXNRCGSA-N -1 0 622.740 6.778 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000100680236 554446088 /nfs/dbraw/zinc/44/60/88/554446088.db2.gz IWCRUUJZHDGFFB-XMMPIXPASA-N -1 0 580.659 5.694 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000100681019 554447164 /nfs/dbraw/zinc/44/71/64/554447164.db2.gz ZHEXPEKUAAPQKE-QFIPXVFZSA-N -1 0 538.597 5.729 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100681475 554447798 /nfs/dbraw/zinc/44/77/98/554447798.db2.gz AERUDPREFPIWPD-QFIPXVFZSA-N -1 0 582.606 5.051 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100681478 554447810 /nfs/dbraw/zinc/44/78/10/554447810.db2.gz AERUDPREFPIWPD-JOCHJYFZSA-N -1 0 582.606 5.051 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000100681444 554447908 /nfs/dbraw/zinc/44/79/08/554447908.db2.gz YBGOHABOYLVKKK-HXUWFJFHSA-N -1 0 526.973 5.678 50 30 KKEARM CCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100701603 554451974 /nfs/dbraw/zinc/45/19/74/554451974.db2.gz HAXLNHFDDUSKKV-JOCHJYFZSA-N -1 0 552.996 7.185 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC000100725396 554456598 /nfs/dbraw/zinc/45/65/98/554456598.db2.gz QMSVXVFMDRULEE-UHFFFAOYSA-N -1 0 564.638 10.900 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100726864 554457445 /nfs/dbraw/zinc/45/74/45/554457445.db2.gz PUTMPAIPPQAFGO-DEOSSOPVSA-N -1 0 581.050 7.965 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000100726863 554457491 /nfs/dbraw/zinc/45/74/91/554457491.db2.gz PUTMPAIPPQAFGO-XMMPIXPASA-N -1 0 581.050 7.965 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736778 554461152 /nfs/dbraw/zinc/46/11/52/554461152.db2.gz UHDUAXGXKMJFAF-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100736830 554461186 /nfs/dbraw/zinc/46/11/86/554461186.db2.gz MKHAWVDDJLUVMG-VWLOTQADSA-N -1 0 576.671 6.073 50 30 KKEARM CCCCCCCCCC[C@@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000100815545 554476089 /nfs/dbraw/zinc/47/60/89/554476089.db2.gz KVZPIOXADNZHBJ-SSEXGKCCSA-N -1 0 538.706 7.461 50 30 KKEARM O=[N+]([O-])c1cccc(CN=Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)c1[O-] ZINC000068572840 554539735 /nfs/dbraw/zinc/53/97/35/554539735.db2.gz IDZJESXQUULSIQ-HIWRWHBISA-N -1 0 593.444 6.273 50 30 KKEARM CC[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575246 554540286 /nfs/dbraw/zinc/54/02/86/554540286.db2.gz PITYDXWYORHZSO-BYPYZUCNSA-N -1 0 519.195 5.911 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2C(=O)[O-])[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000101022291 554561969 /nfs/dbraw/zinc/56/19/69/554561969.db2.gz ORTKKAYEMJJAGB-GEFUHLBYSA-N -1 0 625.678 5.880 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072996 554576460 /nfs/dbraw/zinc/57/64/60/554576460.db2.gz POPVDSNWBDQUMG-QOJBNDRUSA-N -1 0 509.381 5.895 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101072997 554576502 /nfs/dbraw/zinc/57/65/02/554576502.db2.gz POPVDSNWBDQUMG-ASBZNUFUSA-N -1 0 509.381 5.895 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1 ZINC000101100221 554587111 /nfs/dbraw/zinc/58/71/11/554587111.db2.gz KOQUJGWYWCBRPM-PGVNHDJNSA-N -1 0 523.408 6.203 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100223 554587155 /nfs/dbraw/zinc/58/71/55/554587155.db2.gz KOQUJGWYWCBRPM-OBVHCKHUSA-N -1 0 523.408 6.203 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2/c3cc([N+](=O)[O-])cc(C(=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000101185220 554668923 /nfs/dbraw/zinc/66/89/23/554668923.db2.gz WIBUZUARLRUNBG-XKZIYDEJSA-N -1 0 561.547 7.418 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276841 554703551 /nfs/dbraw/zinc/70/35/51/554703551.db2.gz GTFCYJNRTMNFAS-DFXXOVSGSA-N -1 0 624.671 5.771 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000101277579 554703982 /nfs/dbraw/zinc/70/39/82/554703982.db2.gz IFUVJNRFWVDOEH-JBCNATCCSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278098 554704456 /nfs/dbraw/zinc/70/44/56/554704456.db2.gz XDHOZAMELDILEI-ZHHPLPSFSA-N -1 0 548.617 5.136 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000101278096 554704538 /nfs/dbraw/zinc/70/45/38/554704538.db2.gz BGFFMNSOLRWJSP-MIOXIQPJSA-N -1 0 624.715 6.707 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000101278203 554704880 /nfs/dbraw/zinc/70/48/80/554704880.db2.gz HFJKDMCTYSDKKG-MRJHHRETSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316812 554723878 /nfs/dbraw/zinc/72/38/78/554723878.db2.gz MAIZFVSGDGCONO-LODGOHBISA-N -1 0 611.745 6.653 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316809 554723918 /nfs/dbraw/zinc/72/39/18/554723918.db2.gz MAIZFVSGDGCONO-FGEDTZIGSA-N -1 0 611.745 6.653 50 30 KKEARM O=c1c(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)[n-]n1-c1ncc(-c2ccccc2)s1 ZINC000101410593 554763733 /nfs/dbraw/zinc/76/37/33/554763733.db2.gz KOSZVWXWXVSUTC-IADYIPOJSA-N -1 0 537.388 6.244 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1OC ZINC000102052472 554871654 /nfs/dbraw/zinc/87/16/54/554871654.db2.gz NNARSPIERZYGBO-QUGAMOGWSA-N -1 0 571.655 5.924 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1OCC(=O)OC(C)C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052291 554871657 /nfs/dbraw/zinc/87/16/57/554871657.db2.gz BMKYYBHYHGXBCS-KEEVHDRGSA-N -1 0 597.693 6.229 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000102053148 554872064 /nfs/dbraw/zinc/87/20/64/554872064.db2.gz HIWWXBLNAYZBLA-XRHLQHRESA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053729 554872381 /nfs/dbraw/zinc/87/23/81/554872381.db2.gz YQMQZBOKGPDFSC-MQNRADLISA-N -1 0 550.467 7.205 50 30 KKEARM Cc1cc(N=NC(C)c2ccc(Br)cc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000102207301 554896374 /nfs/dbraw/zinc/89/63/74/554896374.db2.gz OIKVNKZYXZTSAE-OPEKNORGSA-N -1 0 555.068 6.281 50 30 KKEARM CCCCCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000102261650 554905139 /nfs/dbraw/zinc/90/51/39/554905139.db2.gz UJDQMHBZSDZSAC-UHFFFAOYSA-N -1 0 561.792 8.024 50 30 KKEARM CCC(C)(C)[C@H]1CCc2sc3[nH]cnc(=NN=Cc4cc(Br)cc(Br)c4[O-])c3c2C1 ZINC000102304483 554908880 /nfs/dbraw/zinc/90/88/80/554908880.db2.gz AGSYYQMKPICIEZ-GOFCGAQMSA-N -1 0 552.336 6.909 50 30 KKEARM CCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-n2c(=O)cc(C)n2CC)cc1 ZINC000102312634 554910009 /nfs/dbraw/zinc/91/00/09/554910009.db2.gz IZRLIWWWJBSGAJ-FOHRATBMSA-N -1 0 539.761 7.644 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccccc2)n(C)c2cccc(S(=O)(=O)[O-])c21 ZINC000102313671 554910231 /nfs/dbraw/zinc/91/02/31/554910231.db2.gz FTNJIQJWILMFMG-PJJLUWSFSA-N -1 0 617.878 7.308 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102434316 554927574 /nfs/dbraw/zinc/92/75/74/554927574.db2.gz OYQIRVHXOMQAJJ-SBXHHDGASA-N -1 0 513.575 5.664 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102487448 554938427 /nfs/dbraw/zinc/93/84/27/554938427.db2.gz WQIHIJVMUBQAGI-HOGKFDNTSA-N -1 0 508.502 5.218 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486596 554938559 /nfs/dbraw/zinc/93/85/59/554938559.db2.gz YORPSBYUTQNHKG-NXLSWJSLSA-N -1 0 558.587 6.186 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102486506 554938574 /nfs/dbraw/zinc/93/85/74/554938574.db2.gz ITWUPDWDSDUAQK-NPJIAGGLSA-N -1 0 527.602 5.369 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102491637 554939401 /nfs/dbraw/zinc/93/94/01/554939401.db2.gz FRDDIIDBWNCYQT-MRJHHRETSA-N -1 0 511.386 6.238 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102492570 554939683 /nfs/dbraw/zinc/93/96/83/554939683.db2.gz XWAUPWVIQLBOMW-MOBKVPTQSA-N -1 0 522.604 5.400 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102492794 554939698 /nfs/dbraw/zinc/93/96/98/554939698.db2.gz BKSLHSVAYYHRQY-LFVOPCPISA-N -1 0 511.353 5.287 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102503490 554943972 /nfs/dbraw/zinc/94/39/72/554943972.db2.gz FCZNKQVLHGCHPH-MOBKVPTQSA-N -1 0 553.409 6.223 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102504296 554944269 /nfs/dbraw/zinc/94/42/69/554944269.db2.gz BHXDZZAWPFTUCS-MRJHHRETSA-N -1 0 521.392 5.694 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102504288 554944334 /nfs/dbraw/zinc/94/43/34/554944334.db2.gz BHXDZZAWPFTUCS-JBCNATCCSA-N -1 0 521.392 5.694 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102508207 554945475 /nfs/dbraw/zinc/94/54/75/554945475.db2.gz CYUWKBPFYFUADM-HOGKFDNTSA-N -1 0 508.502 5.218 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102508756 554945724 /nfs/dbraw/zinc/94/57/24/554945724.db2.gz AQEPKBAHDBFNEY-NPJIAGGLSA-N -1 0 500.507 5.098 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102510437 554946003 /nfs/dbraw/zinc/94/60/03/554946003.db2.gz RXDZYEUNFQQHQW-ZHHPLPSFSA-N -1 0 534.565 5.478 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102510034 554946091 /nfs/dbraw/zinc/94/60/91/554946091.db2.gz HLHRHTWMUFNPNX-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102520657 554949680 /nfs/dbraw/zinc/94/96/80/554949680.db2.gz KMZXHCQTRVZDBW-MOBKVPTQSA-N -1 0 502.523 5.157 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533144 554954711 /nfs/dbraw/zinc/95/47/11/554954711.db2.gz NNWPCUQWMMHAPY-SBXHHDGASA-N -1 0 581.046 6.001 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102538156 554956277 /nfs/dbraw/zinc/95/62/77/554956277.db2.gz GNMUWXMXPVVHRQ-ZHHPLPSFSA-N -1 0 565.445 6.092 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102539791 554957011 /nfs/dbraw/zinc/95/70/11/554957011.db2.gz SUBHSHGZFYTVOM-XXASTYAFSA-N -1 0 526.658 7.062 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102541200 554957402 /nfs/dbraw/zinc/95/74/02/554957402.db2.gz NANMRPBCPJYICC-AYWGPLOBSA-N -1 0 504.995 6.283 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102543462 554958079 /nfs/dbraw/zinc/95/80/79/554958079.db2.gz HFQSXWBNDKCOLU-AYWGPLOBSA-N -1 0 520.538 5.088 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102556257 554964776 /nfs/dbraw/zinc/96/47/76/554964776.db2.gz KCGQOJOZVAIBLA-AIKCTZLLSA-N -1 0 610.544 7.087 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102558735 554966270 /nfs/dbraw/zinc/96/62/70/554966270.db2.gz WIODTRBANIFEEU-MOBKVPTQSA-N -1 0 549.948 5.255 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102558726 554966341 /nfs/dbraw/zinc/96/63/41/554966341.db2.gz WIODTRBANIFEEU-HOGKFDNTSA-N -1 0 549.948 5.255 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102559728 554967145 /nfs/dbraw/zinc/96/71/45/554967145.db2.gz NGMVHKOWQNYCSI-CJJGVWJISA-N -1 0 613.648 6.050 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102581512 554972545 /nfs/dbraw/zinc/97/25/45/554972545.db2.gz KZFVDRUJXYUOAJ-FECHNCLXSA-N -1 0 531.521 5.293 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102583957 554972815 /nfs/dbraw/zinc/97/28/15/554972815.db2.gz OMZYFVUHTFQBJA-ZHHPLPSFSA-N -1 0 596.061 6.020 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102591980 554974169 /nfs/dbraw/zinc/97/41/69/554974169.db2.gz CSKNSVKEPCQGTQ-AYWGPLOBSA-N -1 0 578.071 5.881 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102591469 554974189 /nfs/dbraw/zinc/97/41/89/554974189.db2.gz LREPNWJIZRERQB-NPJIAGGLSA-N -1 0 622.124 6.280 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102596678 554976992 /nfs/dbraw/zinc/97/69/92/554976992.db2.gz GUXQUNIZHZYFBE-CZNAVJSXSA-N -1 0 592.670 5.629 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102596388 554977082 /nfs/dbraw/zinc/97/70/82/554977082.db2.gz YMBNXRGZZOZVNI-NXLSWJSLSA-N -1 0 608.097 5.890 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102597751 554977161 /nfs/dbraw/zinc/97/71/61/554977161.db2.gz RWDZHHAUIVRIPK-SBXHHDGASA-N -1 0 619.652 5.154 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597106 554977185 /nfs/dbraw/zinc/97/71/85/554977185.db2.gz KLZICPNUCOCDTQ-NPJIAGGLSA-N -1 0 587.679 5.627 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102599281 554977517 /nfs/dbraw/zinc/97/75/17/554977517.db2.gz WIIYLGYALSDKOO-ZHHPLPSFSA-N -1 0 596.061 6.020 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102603668 554978132 /nfs/dbraw/zinc/97/81/32/554978132.db2.gz FWIIATRYOFKMDJ-IUKMQXEJSA-N -1 0 615.689 5.323 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102605900 554978714 /nfs/dbraw/zinc/97/87/14/554978714.db2.gz RYQRRBDWWULGDM-SBXHHDGASA-N -1 0 592.098 6.190 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606118 554978848 /nfs/dbraw/zinc/97/88/48/554978848.db2.gz VQCABXWELQQNRA-PUAOIOHZSA-N -1 0 549.649 5.386 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102608808 554980447 /nfs/dbraw/zinc/98/04/47/554980447.db2.gz QXAIZQWVOSSERS-AIKCTZLLSA-N -1 0 594.089 6.573 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102614560 554984040 /nfs/dbraw/zinc/98/40/40/554984040.db2.gz AZKVQXXTGDGOGP-YDJIHCHBSA-N -1 0 502.832 5.893 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102614862 554984234 /nfs/dbraw/zinc/98/42/34/554984234.db2.gz BEAOMPVNQLYSQI-NPJIAGGLSA-N -1 0 555.612 5.147 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102619189 554985766 /nfs/dbraw/zinc/98/57/66/554985766.db2.gz DWEBXNJBKJALQA-UUALVTFQSA-N -1 0 606.697 5.875 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102620984 554986777 /nfs/dbraw/zinc/98/67/77/554986777.db2.gz BWSBEXMACLPHON-CJJGVWJISA-N -1 0 620.152 7.005 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102620591 554986831 /nfs/dbraw/zinc/98/68/31/554986831.db2.gz MPHNXZIRBAMDLZ-WRPQUVRJSA-N -1 0 575.643 5.625 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102620600 554986860 /nfs/dbraw/zinc/98/68/60/554986860.db2.gz MPHNXZIRBAMDLZ-AIKCTZLLSA-N -1 0 575.643 5.625 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(OCCC)cc2)nc1C ZINC000102622259 554987377 /nfs/dbraw/zinc/98/73/77/554987377.db2.gz NRJWIBPSIUFSKM-VWLOTQADSA-N -1 0 576.671 6.073 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(OCCC)cc2)nc1C ZINC000102622257 554987388 /nfs/dbraw/zinc/98/73/88/554987388.db2.gz NRJWIBPSIUFSKM-RUZDIDTESA-N -1 0 576.671 6.073 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102623336 554987732 /nfs/dbraw/zinc/98/77/32/554987732.db2.gz AEYJXOUBPIMJEN-IUKMQXEJSA-N -1 0 562.644 5.621 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102624487 554987944 /nfs/dbraw/zinc/98/79/44/554987944.db2.gz OYUVONCGJOAIRR-CJJGVWJISA-N -1 0 619.696 6.156 50 30 KKEARM N#Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102644205 554991446 /nfs/dbraw/zinc/99/14/46/554991446.db2.gz TVLIYEYNSIXSEB-JRPXNJEYSA-N -1 0 509.537 6.112 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102650741 554995635 /nfs/dbraw/zinc/99/56/35/554995635.db2.gz DKDFIBVSLPAKMF-TXTDGAROSA-N -1 0 628.703 6.159 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102667637 555001927 /nfs/dbraw/zinc/00/19/27/555001927.db2.gz DKXXGKSFOXWGCC-WOOAAIBNSA-N -1 0 514.719 5.032 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102677758 555004363 /nfs/dbraw/zinc/00/43/63/555004363.db2.gz NLEDXEDYSGBOAT-WGQAXHKASA-N -1 0 543.557 5.163 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102678544 555004834 /nfs/dbraw/zinc/00/48/34/555004834.db2.gz VJLBQZQUJWCPMJ-HDTBSZCESA-N -1 0 508.983 5.257 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102695310 555010827 /nfs/dbraw/zinc/01/08/27/555010827.db2.gz ACZHMTFISZNXNG-SBXHHDGASA-N -1 0 542.573 5.268 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102706336 555014846 /nfs/dbraw/zinc/01/48/46/555014846.db2.gz WWNUFPQPKPOTPJ-ZHHPLPSFSA-N -1 0 504.564 5.485 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102734701 555025008 /nfs/dbraw/zinc/02/50/08/555025008.db2.gz IPJMHXLPKUYXJD-AYWGPLOBSA-N -1 0 531.546 5.156 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102735612 555025831 /nfs/dbraw/zinc/02/58/31/555025831.db2.gz AQEXSDXEEVLINK-YMCWBSDSSA-N -1 0 504.514 5.524 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737011 555026366 /nfs/dbraw/zinc/02/63/66/555026366.db2.gz HZBMRQDECDMLNG-CGKJMNDRSA-N -1 0 557.584 5.553 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770798 555058212 /nfs/dbraw/zinc/05/82/12/555058212.db2.gz POKKWNQXRAOCJH-FSISNWKMSA-N -1 0 551.451 6.861 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771062 555059317 /nfs/dbraw/zinc/05/93/17/555059317.db2.gz KMCXZOAGTOMQQS-XLNMUAQOSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771306 555060004 /nfs/dbraw/zinc/06/00/04/555060004.db2.gz GGOZJWHURATZQL-AIKCTZLLSA-N -1 0 610.544 7.087 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102862122 555091982 /nfs/dbraw/zinc/09/19/82/555091982.db2.gz YNXNAERUWKKEIF-GHNGSUTGSA-N -1 0 545.386 5.156 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102862222 555092315 /nfs/dbraw/zinc/09/23/15/555092315.db2.gz VDQABNRLQFWCAL-SBXHHDGASA-N -1 0 515.566 5.499 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102863545 555093524 /nfs/dbraw/zinc/09/35/24/555093524.db2.gz XUQKJTUUZXMKGI-SBXHHDGASA-N -1 0 510.974 5.840 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102865403 555094942 /nfs/dbraw/zinc/09/49/42/555094942.db2.gz AYQCGZJEZLEEAM-MOBKVPTQSA-N -1 0 522.604 5.400 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102866511 555095804 /nfs/dbraw/zinc/09/58/04/555095804.db2.gz NSMKAMPIHBGLHL-TXTDGAROSA-N -1 0 513.634 5.940 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102868452 555097940 /nfs/dbraw/zinc/09/79/40/555097940.db2.gz FGHHOLOFXRGPMS-CJJGVWJISA-N -1 0 520.582 5.586 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102869527 555099172 /nfs/dbraw/zinc/09/91/72/555099172.db2.gz MGQLZCVKHRLHEQ-TXTDGAROSA-N -1 0 602.665 5.890 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102871345 555101908 /nfs/dbraw/zinc/10/19/08/555101908.db2.gz AUJMPQWYICKDBR-SBXHHDGASA-N -1 0 500.551 5.796 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102873890 555103983 /nfs/dbraw/zinc/10/39/83/555103983.db2.gz NNMXLJJJKUDOAV-NXLSWJSLSA-N -1 0 534.565 5.478 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102874941 555104823 /nfs/dbraw/zinc/10/48/23/555104823.db2.gz HZGOBLCYRHZELX-HOGKFDNTSA-N -1 0 520.538 5.088 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102879714 555108776 /nfs/dbraw/zinc/10/87/76/555108776.db2.gz XBIIYTMOIATXSP-AYWGPLOBSA-N -1 0 561.015 6.310 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102882862 555111092 /nfs/dbraw/zinc/11/10/92/555111092.db2.gz WSYBYPDDOWEQBK-SBXHHDGASA-N -1 0 535.021 6.373 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102884144 555112863 /nfs/dbraw/zinc/11/28/63/555112863.db2.gz VFOLQLCHSYQTJW-YDJIHCHBSA-N -1 0 525.811 6.339 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102885279 555115488 /nfs/dbraw/zinc/11/54/88/555115488.db2.gz FIVLAIXJIVHWCR-NXLSWJSLSA-N -1 0 549.004 5.746 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887362 555119280 /nfs/dbraw/zinc/11/92/80/555119280.db2.gz MXSGMNPGGXBBAC-LOOKCOSASA-N -1 0 629.760 6.578 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(O)cc2)o1 ZINC000102887498 555119523 /nfs/dbraw/zinc/11/95/23/555119523.db2.gz WXFYOHQSEAPWGK-YDJIHCHBSA-N -1 0 505.577 5.064 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102887803 555120181 /nfs/dbraw/zinc/12/01/81/555120181.db2.gz JLYOKVIJEMEGHU-ZLYDLHQSSA-N -1 0 599.734 6.569 50 30 KKEARM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102888352 555121408 /nfs/dbraw/zinc/12/14/08/555121408.db2.gz RSYXPQOEMXIMBO-GAPOMRBKSA-N -1 0 542.613 5.709 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888625 555121723 /nfs/dbraw/zinc/12/17/23/555121723.db2.gz YBLJCKVYHLNPIU-JVJOXMINSA-N -1 0 617.724 6.708 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888879 555122470 /nfs/dbraw/zinc/12/24/70/555122470.db2.gz DFIQWXFXKAMDTH-JLPDLQRYSA-N -1 0 599.734 6.487 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888873 555122519 /nfs/dbraw/zinc/12/25/19/555122519.db2.gz DFIQWXFXKAMDTH-KXDYMIPJSA-N -1 0 599.734 6.487 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102890601 555125775 /nfs/dbraw/zinc/12/57/75/555125775.db2.gz QAPIOLNGDNHQKY-SBXHHDGASA-N -1 0 593.455 5.855 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890902 555126544 /nfs/dbraw/zinc/12/65/44/555126544.db2.gz XXAALVHKIUZJNO-NXLSWJSLSA-N -1 0 578.643 5.205 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893107 555129885 /nfs/dbraw/zinc/12/98/85/555129885.db2.gz QPJQNKNTCAZHCV-FSDXSRJSSA-N -1 0 617.680 5.706 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894569 555132494 /nfs/dbraw/zinc/13/24/94/555132494.db2.gz OJGCSHQZMQWPKO-PLWHFILJSA-N -1 0 585.707 6.179 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895728 555134879 /nfs/dbraw/zinc/13/48/79/555134879.db2.gz ICFCGXWZFNCMMB-NYFCFKJUSA-N -1 0 619.139 7.477 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899534 555139439 /nfs/dbraw/zinc/13/94/39/555139439.db2.gz SLZPCADTYOCITQ-JFTLGNCFSA-N -1 0 547.032 6.298 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899537 555139491 /nfs/dbraw/zinc/13/94/91/555139491.db2.gz SLZPCADTYOCITQ-JRPVAJNPSA-N -1 0 547.032 6.298 50 30 KKEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(Cl)c(Cl)c2)n1 ZINC000102910100 555142420 /nfs/dbraw/zinc/14/24/20/555142420.db2.gz BYTAKEJXYKRKLM-PETIARSGSA-N -1 0 562.478 7.217 50 30 KKEARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1OC ZINC000102927925 555152844 /nfs/dbraw/zinc/15/28/44/555152844.db2.gz CKBOGGSADPKDBE-UHFFFAOYSA-N -1 0 586.714 5.314 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102928620 555154218 /nfs/dbraw/zinc/15/42/18/555154218.db2.gz AQAHPOPMAQDSMF-AYWGPLOBSA-N -1 0 504.564 5.621 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929457 555155307 /nfs/dbraw/zinc/15/53/07/555155307.db2.gz HHSNYPPHAOPFJY-MOBKVPTQSA-N -1 0 506.605 5.782 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102929791 555155797 /nfs/dbraw/zinc/15/57/97/555155797.db2.gz UKKORBBHMFSLRY-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cc(Br)c([O-])c(Br)c1)C1=C(CCCC1=O)N2 ZINC000102935404 555162781 /nfs/dbraw/zinc/16/27/81/555162781.db2.gz BQDMVJHCYMRLPZ-HXUWFJFHSA-N -1 0 586.309 6.586 50 30 KKEARM CC(C)=CCC/C(C(=O)[O-])=C1\[C@@H]2CC[C@H]3[C@@]4(C)C=CC(=O)[C@@H](C)[C@@H]4[C@H](OC(C)=O)C(=O)[C@]3(C)[C@@]2(C)C[C@@H]1OC(C)=O ZINC000253530014 562881910 /nfs/dbraw/zinc/88/19/10/562881910.db2.gz MDFZYGLOIJNNRM-OAJDADRGSA-N -1 0 568.707 5.400 50 30 biogenic,in-vitro KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000103928916 571369902 /nfs/dbraw/zinc/36/99/02/571369902.db2.gz IXIGOZMKYFEVSS-NHFXJNLRSA-N -1 0 561.443 5.878 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000103928939 571370197 /nfs/dbraw/zinc/37/01/97/571370197.db2.gz ZPBGISYAMUSIJQ-NHFXJNLRSA-N -1 0 571.449 5.334 50 30 KKEARM CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1/N=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000105965673 571409539 /nfs/dbraw/zinc/40/95/39/571409539.db2.gz WQHQAAQPTUARFI-HNSNBQBZSA-N -1 0 563.017 6.854 50 30 KKEARM O=C1N/C(=N/N=C/c2cc(I)cc(I)c2[O-])S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000150347387 571460746 /nfs/dbraw/zinc/46/07/46/571460746.db2.gz FCRSOEFJFZMCJB-YGTGLGIZSA-N -1 0 689.056 5.410 50 30 KKEARM [O-]c1c(Br)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c(O)c1Br ZINC000150351450 571462256 /nfs/dbraw/zinc/46/22/56/571462256.db2.gz TXUNGPOIRBGQIR-PGGKNCGUSA-N -1 0 614.031 6.786 50 30 KKEARM CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5cc(Br)c([O-])c(Br)c5)cc4s3)cc2s1 ZINC000150358643 571463612 /nfs/dbraw/zinc/46/36/12/571463612.db2.gz ITNKXJLNRQBBIL-YPXUMCKCSA-N -1 0 680.494 8.340 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000150360240 571463738 /nfs/dbraw/zinc/46/37/38/571463738.db2.gz IYVZYMJOUVYKGX-JTHRFTPNSA-N -1 0 637.077 6.830 50 30 KKEARM O=S1(=O)[N-]S(=O)(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c3ccccc3cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c21 ZINC000150370661 571465722 /nfs/dbraw/zinc/46/57/22/571465722.db2.gz DFXCMPXSCANWFA-UHFFFAOYSA-N -1 0 819.645 11.050 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)[O-])cc1NC(=O)C1=CC(=NNc2cc(-c3ccccc3)ccc2O)c2ccccc2C1=O ZINC000150397826 571476969 /nfs/dbraw/zinc/47/69/69/571476969.db2.gz ZXFJYYOPRMVZDZ-VPWQGRENSA-N -1 0 821.097 13.530 50 30 KKEARM C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000150408318 571480700 /nfs/dbraw/zinc/48/07/00/571480700.db2.gz GVRUBPFRDSUQJT-UHFFFAOYSA-N -1 0 697.235 5.620 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150417981 571486228 /nfs/dbraw/zinc/48/62/28/571486228.db2.gz TXXGUTZXZZNULC-ONQGDUAMSA-N -1 0 631.732 6.025 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150417975 571486260 /nfs/dbraw/zinc/48/62/60/571486260.db2.gz TXXGUTZXZZNULC-UUALVTFQSA-N -1 0 631.732 6.025 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418196 571486404 /nfs/dbraw/zinc/48/64/04/571486404.db2.gz IECSAWRQOZEICZ-FPRSLYQBSA-N -1 0 664.205 7.231 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424599 571489368 /nfs/dbraw/zinc/48/93/68/571489368.db2.gz XJUWVZQRZBIWQF-JNYBUSFRSA-N -1 0 689.831 7.743 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424931 571489587 /nfs/dbraw/zinc/48/95/87/571489587.db2.gz DLLDVSBPYIPKPC-CYRRUZCLSA-N -1 0 721.901 8.757 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000150431428 571493732 /nfs/dbraw/zinc/49/37/32/571493732.db2.gz WWVUDFZEXNEXHX-LJAQVGFWSA-N -1 0 650.794 7.558 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433065 571494548 /nfs/dbraw/zinc/49/45/48/571494548.db2.gz ZYZIQJPQVZUCFM-JOCHJYFZSA-N -1 0 650.905 6.627 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150435212 571495226 /nfs/dbraw/zinc/49/52/26/571495226.db2.gz OONYXFYLFHRRNU-CZNAVJSXSA-N -1 0 654.597 7.658 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435824 571495693 /nfs/dbraw/zinc/49/56/93/571495693.db2.gz QESWFICZRKWJDI-AHPONGEQSA-N -1 0 655.128 7.325 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435780 571495726 /nfs/dbraw/zinc/49/57/26/571495726.db2.gz JMKZGBZYOJWNMA-KFLIVHAJSA-N -1 0 728.248 7.859 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435792 571495842 /nfs/dbraw/zinc/49/58/42/571495842.db2.gz APLJYLUXTBNVOF-KFLIVHAJSA-N -1 0 762.693 8.512 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441783 571498522 /nfs/dbraw/zinc/49/85/22/571498522.db2.gz HIQIBUARVMFXSE-NBXYUPGTSA-N -1 0 682.223 8.013 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445209 571500179 /nfs/dbraw/zinc/50/01/79/571500179.db2.gz FFRKMZWTZWKYLW-HDTBSZCESA-N -1 0 629.485 5.055 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445402 571500373 /nfs/dbraw/zinc/50/03/73/571500373.db2.gz JXVYXVFWMZFTCT-GSYBUTJLSA-N -1 0 657.814 7.276 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150445304 571500416 /nfs/dbraw/zinc/50/04/16/571500416.db2.gz DUCWJVUCEVKFER-ONQGDUAMSA-N -1 0 636.723 5.849 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150445407 571500463 /nfs/dbraw/zinc/50/04/63/571500463.db2.gz JXVYXVFWMZFTCT-WENCHWOGSA-N -1 0 657.814 7.276 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445569 571500636 /nfs/dbraw/zinc/50/06/36/571500636.db2.gz LAAMMYNYDCEMFW-VXJPNWOUSA-N -1 0 662.233 8.003 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445856 571500760 /nfs/dbraw/zinc/50/07/60/571500760.db2.gz OFZMUGYCGMCRGQ-DNNDWWBDSA-N -1 0 662.233 8.003 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445566 571500770 /nfs/dbraw/zinc/50/07/70/571500770.db2.gz LAAMMYNYDCEMFW-QJGFIUGVSA-N -1 0 662.233 8.003 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150447145 571501108 /nfs/dbraw/zinc/50/11/08/571501108.db2.gz DXCCCYBYGDXQKC-JOCHJYFZSA-N -1 0 660.911 6.083 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150448823 571501675 /nfs/dbraw/zinc/50/16/75/571501675.db2.gz FNNBOMBCALBAGJ-WGGXKBPPSA-N -1 0 640.714 6.325 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150456361 571504532 /nfs/dbraw/zinc/50/45/32/571504532.db2.gz HEGBMJYEKCELLC-CFQDGGCTSA-N -1 0 672.759 8.100 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457403 571504992 /nfs/dbraw/zinc/50/49/92/571504992.db2.gz GOTFXUMMRMZYHF-QBCYBHDASA-N -1 0 641.771 6.744 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150458796 571505563 /nfs/dbraw/zinc/50/55/63/571505563.db2.gz FVOAECDJDNKZBH-MIOXIQPJSA-N -1 0 640.714 6.325 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459183 571505687 /nfs/dbraw/zinc/50/56/87/571505687.db2.gz DKYTYDLUXGBXFD-JNYBUSFRSA-N -1 0 665.768 7.498 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462797 571506710 /nfs/dbraw/zinc/50/67/10/571506710.db2.gz MVXUFUWGMRNRTA-VDBNUPDGSA-N -1 0 671.841 7.748 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462762 571506743 /nfs/dbraw/zinc/50/67/43/571506743.db2.gz RXELSXPDPPZQLN-JNYBUSFRSA-N -1 0 682.223 8.013 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463395 571507195 /nfs/dbraw/zinc/50/71/95/571507195.db2.gz NAZIKHTWASDAMV-PLQDCEFPSA-N -1 0 685.868 8.056 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467637 571508241 /nfs/dbraw/zinc/50/82/41/571508241.db2.gz REQYMQIYYXRQBN-IUKMQXEJSA-N -1 0 656.569 6.933 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150470213 571509242 /nfs/dbraw/zinc/50/92/42/571509242.db2.gz KIYSKAQPCKRGKO-MIOXIQPJSA-N -1 0 643.787 6.961 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150472462 571509979 /nfs/dbraw/zinc/50/99/79/571509979.db2.gz DEXMIHRCJXSOCU-UUALVTFQSA-N -1 0 650.178 7.060 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150472772 571510114 /nfs/dbraw/zinc/51/01/14/571510114.db2.gz QQRZUGDTNAWCKG-TXTDGAROSA-N -1 0 678.188 6.845 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150479556 571511789 /nfs/dbraw/zinc/51/17/89/571511789.db2.gz GIMMAIRSRUTFIJ-QMMFTLRZSA-N -1 0 684.195 7.460 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150480963 571512276 /nfs/dbraw/zinc/51/22/76/571512276.db2.gz DEPFJGMSBRVXGD-MIOXIQPJSA-N -1 0 659.786 6.806 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481368 571512547 /nfs/dbraw/zinc/51/25/47/571512547.db2.gz IKCPSXMSZSRKNV-LLAWDOGUSA-N -1 0 668.624 7.876 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150482913 571513637 /nfs/dbraw/zinc/51/36/37/571513637.db2.gz XRYRFNCECYHCES-TXTDGAROSA-N -1 0 647.750 6.792 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484893 571515476 /nfs/dbraw/zinc/51/54/76/571515476.db2.gz JSDQHWDQKBHQLC-AHPONGEQSA-N -1 0 687.840 7.504 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000150485470 571515869 /nfs/dbraw/zinc/51/58/69/571515869.db2.gz OGWJJCRSRVDVRV-UUWRZZSWSA-N -1 0 738.916 9.777 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)N/N=c2\sc3ccc(S(=O)(=O)[O-])cc3n2C)cc1NC(C)=O ZINC000150586238 571522016 /nfs/dbraw/zinc/52/20/16/571522016.db2.gz GJXVHKZTLTZQGD-YJKCNMNRSA-N -1 0 745.024 6.494 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000150600503 571522548 /nfs/dbraw/zinc/52/25/48/571522548.db2.gz SEXQYTHSXJHLGB-SANMLTNESA-N -1 0 628.663 6.822 50 30 KKEARM CC(=O)[N-][C@H](OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(Cl)(Cl)Cl ZINC000150628743 571523894 /nfs/dbraw/zinc/52/38/94/571523894.db2.gz OEVLNYFTRAVIFO-RXMQYKEDSA-N -1 0 720.553 7.818 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000150638145 571524425 /nfs/dbraw/zinc/52/44/25/571524425.db2.gz BLRYACZMFBZAKT-KKYHWDRJSA-N -1 0 662.875 7.217 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164720005 571550940 /nfs/dbraw/zinc/55/09/40/571550940.db2.gz HPNULWLLEOKCID-SMYKQSBYSA-N -1 0 662.089 6.781 50 30 KKEARM C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1OC ZINC000217617843 571601818 /nfs/dbraw/zinc/60/18/18/571601818.db2.gz LBRJLXKPXIYOQQ-GOSISDBHSA-N -1 0 530.529 5.284 50 30 biogenic KKEARM COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C1=O)cn2C ZINC000263585189 572117019 /nfs/dbraw/zinc/11/70/19/572117019.db2.gz GBCRMNUJRPJQAB-RXKNBZTKSA-N -1 0 561.546 6.202 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226872203 572144438 /nfs/dbraw/zinc/14/44/38/572144438.db2.gz MKUNYHIAHIKVBM-FRXPANAUSA-N -1 0 528.649 6.486 50 30 KKEARM CC1(C)c2ccccc2N(CCCS(=O)(=O)[O-])/C1=C\C=C1C=C(I)C(=O)C(I)=C1 ZINC000334160121 572153788 /nfs/dbraw/zinc/15/37/88/572153788.db2.gz SFPKEYWHHIHKEO-OCKHKDLRSA-N -1 0 637.277 5.093 50 30 KKEARM CCCCCCCCOC(=O)/C=C/c1c(C)nc([O-])n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O ZINC000245255262 572222050 /nfs/dbraw/zinc/22/20/50/572222050.db2.gz GPSDMFFPRIIGBF-AOYIECOZSA-N -1 0 752.817 6.380 50 30 KKEARM Cc1ccc([C@H]2[C@@H](C(=O)c3cccc4ccccc43)[C@@](O)(c3cccc4ccccc43)C[C@@H](c3ccc(C)cc3)[C@]2(C#N)C(=O)[O-])cc1 ZINC000248117352 572253937 /nfs/dbraw/zinc/25/39/37/572253937.db2.gz VSLMFSVQEOOJIV-GQQDBOJASA-N -1 0 629.756 8.862 50 30 KKEARM Cc1ccc([C@@H]2C[C@](O)(c3cccc4ccccc43)[C@H](C(=O)c3cccc4ccccc43)[C@@H](c3ccc(C)cc3)[C@@]2(C#N)C(=O)[O-])cc1 ZINC000248117356 572253972 /nfs/dbraw/zinc/25/39/72/572253972.db2.gz VSLMFSVQEOOJIV-OAHUQXAHSA-N -1 0 629.756 8.862 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=Nc1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000252598207 572267137 /nfs/dbraw/zinc/26/71/37/572267137.db2.gz CYBMQMILUNXGAS-UHFFFAOYSA-N -1 0 589.558 5.913 50 30 KKEARM COc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(I)c4[O-])ccc3o2)cc1 ZINC000252600476 572267423 /nfs/dbraw/zinc/26/74/23/572267423.db2.gz DROSIZKFBBXGGE-UHFFFAOYSA-N -1 0 504.711 6.218 50 30 KKEARM CCc1ccc(N=C2S/C(=C\c3cc(Cl)cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252613539 572268409 /nfs/dbraw/zinc/26/84/09/572268409.db2.gz JCPPAOVPLKYLDI-YLOHPIGASA-N -1 0 541.898 7.742 50 30 KKEARM COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C ZINC000252622162 572269689 /nfs/dbraw/zinc/26/96/89/572269689.db2.gz NQBMMDHCYHDJEI-MZPZELGGSA-N -1 0 500.620 6.629 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000252625645 572270511 /nfs/dbraw/zinc/27/05/11/572270511.db2.gz QOIHTUSDXFFSDK-UHFFFAOYSA-N -1 0 551.032 7.239 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=Nc1ccc(Br)cc1 ZINC000252628474 572270943 /nfs/dbraw/zinc/27/09/43/572270943.db2.gz SRAPOAIYANTFGE-UHFFFAOYSA-N -1 0 527.925 5.115 50 30 KKEARM COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CC(C)C)cc1 ZINC000252631350 572271434 /nfs/dbraw/zinc/27/14/34/572271434.db2.gz VJUSJIYTGAZNME-SNSUMWEISA-N -1 0 510.999 6.567 50 30 KKEARM COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252637602 572271968 /nfs/dbraw/zinc/27/19/68/572271968.db2.gz XUGUZBSBUFLANJ-CIPOWNPVSA-N -1 0 626.603 6.806 50 30 KKEARM O=[N+]([O-])c1cc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c([O-])c([N+](=O)[O-])c1 ZINC000252636682 572271996 /nfs/dbraw/zinc/27/19/96/572271996.db2.gz XKNVDRMNDGYYEI-UHFFFAOYSA-N -1 0 564.679 6.025 50 30 KKEARM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000252677900 572281274 /nfs/dbraw/zinc/28/12/74/572281274.db2.gz ASDBHPOHBLHBDB-QBCASZAMSA-N -1 0 520.670 5.469 50 30 KKEARM COc1cccc(NC2=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(c(c(c([O-])c5C)C3=O)C2=O)C4=O)c1 ZINC000253387615 572282535 /nfs/dbraw/zinc/28/25/35/572282535.db2.gz FZGBMGVZTSXDFW-CFMWXENESA-N -1 0 816.901 5.079 50 30 KKEARM C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253412387 572288035 /nfs/dbraw/zinc/28/80/35/572288035.db2.gz QVQQZFDSZCCDHR-LJQANCHMSA-N -1 0 518.949 6.224 50 30 KKEARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3cc(F)c(F)c(F)c3)C5=O)o2)cc1 ZINC000253412830 572288164 /nfs/dbraw/zinc/28/81/64/572288164.db2.gz SELCESBFBTZXJY-CMBCABCVSA-N -1 0 532.426 6.119 50 30 KKEARM C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@H](O)[C@H]1O ZINC000253487128 572290234 /nfs/dbraw/zinc/29/02/34/572290234.db2.gz FMRFCBBDHDGKKZ-RCOVFUDZSA-N -1 0 600.837 6.294 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253503390 572295937 /nfs/dbraw/zinc/29/59/37/572295937.db2.gz LTSNJOBYKAGBLS-LHJIDTSSSA-N -1 0 632.882 9.131 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253503478 572296070 /nfs/dbraw/zinc/29/60/70/572296070.db2.gz PYMRPIRPJGSGSS-ZAFQQBOGSA-N -1 0 745.914 5.112 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)c2c1 ZINC000253504808 572296758 /nfs/dbraw/zinc/29/67/58/572296758.db2.gz DWMYNKHBZJVIJZ-UWZSFMRKSA-N -1 0 604.744 5.757 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505576 572297057 /nfs/dbraw/zinc/29/70/57/572297057.db2.gz LDEPIPTXRUTPCM-SCJGHYKPSA-N -1 0 559.707 5.142 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CO/N=C3\C=C[C@@]4(C)C(=C3)CC[C@H]3[C@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]34)c2c1 ZINC000253505929 572297202 /nfs/dbraw/zinc/29/72/02/572297202.db2.gz OAYWHZMJOWQING-ZNENWTPZSA-N -1 0 589.733 5.396 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533243 572299366 /nfs/dbraw/zinc/29/93/66/572299366.db2.gz DUFLDRKJKWPJLH-UHVMEOCJSA-N -1 0 570.771 5.692 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533410 572299460 /nfs/dbraw/zinc/29/94/60/572299460.db2.gz JWCOSNOSGWGQBB-QYXZUYCASA-N -1 0 520.670 5.542 50 30 KKEARM CC[C@H](C)[C@H](NC(=O)CON=C1C=C2CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000253533677 572299567 /nfs/dbraw/zinc/29/95/67/572299567.db2.gz PLKXUFTWZZOUBY-LEINHSHMSA-N -1 0 500.680 5.143 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534144 572299796 /nfs/dbraw/zinc/29/97/96/572299796.db2.gz ZPXHVNPZTXFIOI-FEHMPDRPSA-N -1 0 534.697 5.224 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534145 572299804 /nfs/dbraw/zinc/29/98/04/572299804.db2.gz ZPXHVNPZTXFIOI-QWZNFREJSA-N -1 0 534.697 5.224 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000014089767 574410885 /nfs/dbraw/zinc/41/08/85/574410885.db2.gz HMMGKOVEOFBCAU-BCDBGHSCSA-N -1 0 512.731 6.839 50 30 endogenous,in-man KKEARM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000102190983 1069701279 /nfs/dbraw/zinc/70/12/79/1069701279.db2.gz QOJBRSNGFBBNKT-IZLXSDGUSA-N -1 0 637.792 7.219 50 30 KKEARM CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000101055242 1069768695 /nfs/dbraw/zinc/76/86/95/1069768695.db2.gz KLGWFBUHDHGZAW-XAIAHCSRSA-N -1 0 585.208 6.098 50 30 KKEARM C=CCN(CC=C)C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-] ZINC000002811185 1069822820 /nfs/dbraw/zinc/82/28/20/1069822820.db2.gz PFVWYJHYXMSQEB-UHFFFAOYSA-N -1 0 560.862 5.249 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000888090198 1071064335 /nfs/dbraw/zinc/06/43/35/1071064335.db2.gz IABIDMZHVGWLMT-CRKNQFNSSA-N -1 0 527.702 5.218 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000106702398 1071071272 /nfs/dbraw/zinc/07/12/72/1071071272.db2.gz RBIJRMOEDPDNON-LSHDLFTRSA-N -1 0 539.110 6.251 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c(OC)c1 ZINC000604404246 1071269242 /nfs/dbraw/zinc/26/92/42/1071269242.db2.gz MDUQNXLUSFUXAB-TZUJKKSJSA-N -1 0 538.508 5.719 50 30 KKEARM C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c21 ZINC000217874604 1071292613 /nfs/dbraw/zinc/29/26/13/1071292613.db2.gz CXSDZJAIUFOBNK-SFHVURJKSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000097980987 1072838703 /nfs/dbraw/zinc/83/87/03/1072838703.db2.gz CIFOATLTLCTFQL-CEMPLAKHSA-N -1 0 553.640 5.927 50 30 KKEARM O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=N[O-] ZINC000254311090 1072847149 /nfs/dbraw/zinc/84/71/49/1072847149.db2.gz MMCVADODFDDANY-UHFFFAOYSA-N -1 0 543.279 5.038 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000254505140 1072860148 /nfs/dbraw/zinc/86/01/48/1072860148.db2.gz UHXWYJLGRKVHHW-UHFFFAOYSA-N -1 0 508.531 5.858 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000254597568 1072866779 /nfs/dbraw/zinc/86/67/79/1072866779.db2.gz JYOFLZLSAHBBGN-MHZLTWQESA-N -1 0 544.589 5.744 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2C[C@H](c3ccccc3)Oc3ccccc32)c(C)c1 ZINC000254633521 1072869227 /nfs/dbraw/zinc/86/92/27/1072869227.db2.gz ZVBJCLMGFNMNSC-MUUNZHRXSA-N -1 0 542.617 6.352 50 30 KKEARM COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000254701380 1072870856 /nfs/dbraw/zinc/87/08/56/1072870856.db2.gz AGVNKBYQYRBAIV-UHFFFAOYSA-N -1 0 584.614 5.409 50 30 KKEARM CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccccc3OC)c2C)cc1 ZINC000254792747 1072879426 /nfs/dbraw/zinc/87/94/26/1072879426.db2.gz GAEPDVQSYKDHBY-UHFFFAOYSA-N -1 0 591.646 5.434 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)[C@H](C#N)C(N)=O ZINC000001203789 1072890031 /nfs/dbraw/zinc/89/00/31/1072890031.db2.gz STVKGXUKYGKAFO-PXNSSMCTSA-N -1 0 587.297 5.292 50 30 KKEARM CC(C)(C)[N-]C(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576248 1072901434 /nfs/dbraw/zinc/90/14/34/1072901434.db2.gz LPRQMJOAXBSUJI-HTRCEHHLSA-N -1 0 551.193 5.774 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000633318 551505665 /nfs/dbraw/zinc/50/56/65/551505665.db2.gz UUQDUTKUWVNSJG-DEOSSOPVSA-N -1 0 513.575 5.820 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000000702942 551529828 /nfs/dbraw/zinc/52/98/28/551529828.db2.gz VCGGMRRONIMNJB-MUUNZHRXSA-N -1 0 594.645 6.771 50 30 KKEARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000000718127 551534961 /nfs/dbraw/zinc/53/49/61/551534961.db2.gz RWAYGMISOWDGPF-CAQRMWTPSA-N -1 0 538.644 6.548 50 30 KKEARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000000718129 551535057 /nfs/dbraw/zinc/53/50/57/551535057.db2.gz RWAYGMISOWDGPF-RBBQXQBVSA-N -1 0 538.644 6.548 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719695 551536094 /nfs/dbraw/zinc/53/60/94/551536094.db2.gz QOIZUQJWQPVTTG-WENCNXQZSA-N -1 0 514.553 5.600 50 30 KKEARM N#C[C@@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2ncc(-c3ccccc3)s2)c1=O)c1ccc(Br)cc1 ZINC000000827885 551545451 /nfs/dbraw/zinc/54/54/51/551545451.db2.gz WDJJNDKORIKLCU-FYYLOGMGSA-N -1 0 570.472 5.888 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000001087295 551606632 /nfs/dbraw/zinc/60/66/32/551606632.db2.gz QLCSZHOXWNOXHE-FGZHOGPDSA-N -1 0 520.412 5.367 50 30 KKEARM CN(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3)C2)cc1 ZINC000001245170 551631556 /nfs/dbraw/zinc/63/15/56/551631556.db2.gz SBCDDAWGPSWJFK-JPZYQRIQSA-N -1 0 509.606 5.518 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccncc3)C2)cc1 ZINC000001268782 551634350 /nfs/dbraw/zinc/63/43/50/551634350.db2.gz ONZSTRMVESGJJF-UVDDSOTQSA-N -1 0 523.633 6.145 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccncc3)C2)cc1 ZINC000001268780 551634404 /nfs/dbraw/zinc/63/44/04/551634404.db2.gz ONZSTRMVESGJJF-JPZYQRIQSA-N -1 0 523.633 6.145 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000001300403 551637845 /nfs/dbraw/zinc/63/78/45/551637845.db2.gz CHISPNVFNFSAPF-WRGVRERRSA-N -1 0 514.553 5.600 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000001300401 551637863 /nfs/dbraw/zinc/63/78/63/551637863.db2.gz CHISPNVFNFSAPF-WENCNXQZSA-N -1 0 514.553 5.600 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321712 551641831 /nfs/dbraw/zinc/64/18/31/551641831.db2.gz KDEJRUYPPHGUQM-JPZYQRIQSA-N -1 0 554.599 5.247 50 30 biogenic KKEARM COc1cc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322622 551642032 /nfs/dbraw/zinc/64/20/32/551642032.db2.gz YHQQUHQUFYMXJY-CQGGRAHPSA-N -1 0 546.576 5.071 50 30 biogenic KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409183 551663970 /nfs/dbraw/zinc/66/39/70/551663970.db2.gz WRENIOBPRRZLLJ-IANOAQMISA-N -1 0 536.672 7.058 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409606 551664218 /nfs/dbraw/zinc/66/42/18/551664218.db2.gz SHUORKRSIJZSML-KEEVHDRGSA-N -1 0 531.008 6.114 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446916 551674247 /nfs/dbraw/zinc/67/42/47/551674247.db2.gz BVFFHAARAWYPLJ-QFIPXVFZSA-N -1 0 538.528 5.383 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001450211 551675317 /nfs/dbraw/zinc/67/53/17/551675317.db2.gz ZZLNEZNJEGZHQZ-FQEVSTJZSA-N -1 0 525.380 5.833 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000001451082 551675638 /nfs/dbraw/zinc/67/56/38/551675638.db2.gz QQBIHKWFXHYNHC-XMMPIXPASA-N -1 0 518.591 5.950 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457403 551677041 /nfs/dbraw/zinc/67/70/41/551677041.db2.gz UURCXJWCKYCGQI-APYJYERMSA-N -1 0 540.616 5.778 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000001469795 551680136 /nfs/dbraw/zinc/68/01/36/551680136.db2.gz CXBOZMZXETWROU-JOCHJYFZSA-N -1 0 533.403 6.481 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479911 551681168 /nfs/dbraw/zinc/68/11/68/551681168.db2.gz YKGMWRSITJVVCZ-DEOSSOPVSA-N -1 0 581.046 6.157 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001480697 551681972 /nfs/dbraw/zinc/68/19/72/551681972.db2.gz XIWBQXLGDVDRNL-IBGZPJMESA-N -1 0 527.421 5.912 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480872 551682344 /nfs/dbraw/zinc/68/23/44/551682344.db2.gz QGSXRWRUSZLVIM-DEOSSOPVSA-N -1 0 564.591 5.643 50 30 KKEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000001947794 551735165 /nfs/dbraw/zinc/73/51/65/551735165.db2.gz WZIYUUFCJFISFB-MUFRIFMGSA-N -1 0 575.362 7.055 50 30 KKEARM O=C(Oc1cccc(Br)c1)c1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000001953378 551735384 /nfs/dbraw/zinc/73/53/84/551735384.db2.gz RMQARSBLODKAKB-MUFRIFMGSA-N -1 0 529.415 7.401 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000002125490 551771833 /nfs/dbraw/zinc/77/18/33/551771833.db2.gz MEJUCWBMUPOXPI-SFQUDFHCSA-N -1 0 501.297 5.197 50 30 KKEARM C=CCc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002303817 551808555 /nfs/dbraw/zinc/80/85/55/551808555.db2.gz COQAGZBKXXELFM-BWAHOGKJSA-N -1 0 525.992 5.973 50 30 KKEARM CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000002291074 552088134 /nfs/dbraw/zinc/08/81/34/552088134.db2.gz ZLZXTHVSAWOKBX-UHFFFAOYSA-N -1 0 539.701 7.905 50 30 KKEARM CCOC(=O)c1c2c(sc1/N=C/c1c3c(cc(Br)c1[O-])oc1c3CCCC1)CCCC2 ZINC000002296755 552089476 /nfs/dbraw/zinc/08/94/76/552089476.db2.gz AYLKSPPKMHUWGO-RPPGKUMJSA-N -1 0 502.430 6.647 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)c([O-])c(Br)c1 ZINC000002911626 552214617 /nfs/dbraw/zinc/21/46/17/552214617.db2.gz PVPIZGVQQJKNAY-QHCPKHFHSA-N -1 0 527.256 7.380 50 30 KKEARM Cc1ccc2oc(-c3ccc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)cc3[O-])nc2c1 ZINC000003143687 552296143 /nfs/dbraw/zinc/29/61/43/552296143.db2.gz ANJWFQTWHFRJFR-RWPZCVJISA-N -1 0 510.462 6.868 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003184607 552301129 /nfs/dbraw/zinc/30/11/29/552301129.db2.gz HXTYOSKLJRHJLT-YCPBAFNGSA-N -1 0 541.026 7.783 50 30 KKEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003216230 552307808 /nfs/dbraw/zinc/30/78/08/552307808.db2.gz QQRKKKZKYBWTSF-UHFFFAOYSA-N -1 0 556.406 6.796 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 ZINC000003658090 552405586 /nfs/dbraw/zinc/40/55/86/552405586.db2.gz WHJREXYVUMRYGV-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM Cc1cccc2oc(-c3ccc(/N=C/c4c(C)c(Br)c([O-])c(Br)c4O)cc3)nc21 ZINC000003661620 552407507 /nfs/dbraw/zinc/40/75/07/552407507.db2.gz PABVBNKWUUKQSE-KIBLKLHPSA-N -1 0 516.189 6.798 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)NCc1ccccc1 ZINC000003663613 552408090 /nfs/dbraw/zinc/40/80/90/552408090.db2.gz VMWDAHMZZPYBQT-RPPGKUMJSA-N -1 0 591.350 6.686 50 30 KKEARM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)[O-])C4=O)C3=O ZINC000003933041 552422796 /nfs/dbraw/zinc/42/27/96/552422796.db2.gz GEZHEQNLKAOMCA-RRZNCOCZSA-N -1 0 628.762 7.239 50 30 biogenic,in-vitro KKEARM N#C[C@@H](C(=O)c1nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)nc(N)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005345108 552497967 /nfs/dbraw/zinc/49/79/67/552497967.db2.gz OASFEBMCGMZGPW-AREMUKBSSA-N -1 0 716.632 6.450 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000005355376 552498545 /nfs/dbraw/zinc/49/85/45/552498545.db2.gz FRQXSEBTQZLAED-QHCPKHFHSA-N -1 0 550.633 5.517 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000005355361 552498698 /nfs/dbraw/zinc/49/86/98/552498698.db2.gz KBXTXZFXTNAADZ-DEOSSOPVSA-N -1 0 580.659 5.613 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005356997 552499340 /nfs/dbraw/zinc/49/93/40/552499340.db2.gz SZCRBHAESOYHCM-HSZRJFAPSA-N -1 0 561.015 6.467 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357398 552499632 /nfs/dbraw/zinc/49/96/32/552499632.db2.gz LMMOMRWOZMBOFO-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005357315 552499695 /nfs/dbraw/zinc/49/96/95/552499695.db2.gz HRKZQJUARKGBLA-JOCHJYFZSA-N -1 0 536.581 5.423 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005357326 552499773 /nfs/dbraw/zinc/49/97/73/552499773.db2.gz HRKZQJUARKGBLA-QFIPXVFZSA-N -1 0 536.581 5.423 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC=C)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005357302 552499791 /nfs/dbraw/zinc/49/97/91/552499791.db2.gz RWJVTNXHKHVYCF-VWLOTQADSA-N -1 0 574.655 5.849 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000005402310 552501423 /nfs/dbraw/zinc/50/14/23/552501423.db2.gz NCTQHJXXJHVCMG-SANMLTNESA-N -1 0 617.705 6.273 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005927775 552513087 /nfs/dbraw/zinc/51/30/87/552513087.db2.gz WKLUHGOCNWUOCW-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000006143931 552545416 /nfs/dbraw/zinc/54/54/16/552545416.db2.gz QXWULKYLVBTWDX-QFIPXVFZSA-N -1 0 503.967 6.075 50 30 KKEARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000006146418 552547900 /nfs/dbraw/zinc/54/79/00/552547900.db2.gz JJTVRWTWVDHXFA-UHFFFAOYSA-N -1 0 566.035 6.047 50 30 KKEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000006146301 552547906 /nfs/dbraw/zinc/54/79/06/552547906.db2.gz IEHSRKZOFXPKRL-UHFFFAOYSA-N -1 0 596.503 7.059 50 30 KKEARM COc1ccc(Nc2nc(=NN=Cc3cc(Cl)cc(Cl)c3[O-])nc(NCc3ccco3)[nH]2)cc1 ZINC000006156939 552552506 /nfs/dbraw/zinc/55/25/06/552552506.db2.gz CONRFRGMWNQKOQ-KBKYJPHKSA-N -1 0 500.346 5.287 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)cc2)n1 ZINC000006348543 552581761 /nfs/dbraw/zinc/58/17/61/552581761.db2.gz RTEDTUYJNQZWBG-UHFFFAOYSA-N -1 0 598.632 5.578 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383382 552986520 /nfs/dbraw/zinc/98/65/20/552986520.db2.gz ULECHWDGEWYFGS-HHHXNRCGSA-N -1 0 575.671 7.513 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383419 552986609 /nfs/dbraw/zinc/98/66/09/552986609.db2.gz IAWGWGDLNACLOJ-RUZDIDTESA-N -1 0 588.110 7.575 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383469 552986841 /nfs/dbraw/zinc/98/68/41/552986841.db2.gz XLJWUSNPSKSDKO-RUZDIDTESA-N -1 0 571.655 7.061 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(N(C)C)cc3)s2)cc1 ZINC000008384025 552988673 /nfs/dbraw/zinc/98/86/73/552988673.db2.gz LOHKNIYOWYKEOM-SANMLTNESA-N -1 0 582.707 6.734 50 30 KKEARM Cc1ccc2oc(-c3cccc(/N=C\c4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000008427082 553019347 /nfs/dbraw/zinc/01/93/47/553019347.db2.gz NKIYHQKLCNTKMQ-MYKKPKGFSA-N -1 0 580.163 6.469 50 30 KKEARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc2)nc(OC)n1 ZINC000008427376 553019838 /nfs/dbraw/zinc/01/98/38/553019838.db2.gz IRNRUQGIONACQY-UHFFFAOYSA-N -1 0 649.464 5.157 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1 ZINC000008427420 553019906 /nfs/dbraw/zinc/01/99/06/553019906.db2.gz UNNMNLMHDUIGJS-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM COc1cc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000008432428 553026085 /nfs/dbraw/zinc/02/60/85/553026085.db2.gz ATWFLZVWWLZNAF-RQZFFVEVSA-N -1 0 574.605 5.617 50 30 KKEARM O=C1CCCCCC[C@@H]1[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000008436870 553031092 /nfs/dbraw/zinc/03/10/92/553031092.db2.gz IUCCIVARQVPPPQ-ZETCQYMHSA-N -1 0 623.325 6.165 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccccc1 ZINC000008437886 553032218 /nfs/dbraw/zinc/03/22/18/553032218.db2.gz SXKZGYFHAKOBQM-UHFFFAOYSA-N -1 0 636.583 7.197 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441133 553039568 /nfs/dbraw/zinc/03/95/68/553039568.db2.gz IJVASGSORHPDMI-AREMUKBSSA-N -1 0 574.655 6.761 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441069 553039612 /nfs/dbraw/zinc/03/96/12/553039612.db2.gz CLUDXZJPTMVKLP-QFIPXVFZSA-N -1 0 537.410 6.543 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000008441219 553039939 /nfs/dbraw/zinc/03/99/39/553039939.db2.gz XMHVTWLLKTVENA-GDLZYMKVSA-N -1 0 641.771 7.937 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441743 553042219 /nfs/dbraw/zinc/04/22/19/553042219.db2.gz NWKJHYWXSBMUFL-DEOSSOPVSA-N -1 0 575.440 6.987 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441786 553042338 /nfs/dbraw/zinc/04/23/38/553042338.db2.gz CZKCMKZKBLTHIF-WJOKGBTCSA-N -1 0 647.778 8.692 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441789 553042418 /nfs/dbraw/zinc/04/24/18/553042418.db2.gz VHMGFMOLLAKZNJ-SSEXGKCCSA-N -1 0 631.735 8.078 50 30 KKEARM C=CCOc1c(Br)c(Br)c(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1OCC ZINC000008443686 553047516 /nfs/dbraw/zinc/04/75/16/553047516.db2.gz VJPQHXTXSUWAJP-BOPFTXTBSA-N -1 0 564.230 5.679 50 30 KKEARM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000008461796 553075223 /nfs/dbraw/zinc/07/52/23/553075223.db2.gz ASFXASUHIWNMIB-UHFFFAOYSA-N -1 0 639.381 6.007 50 30 KKEARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695605 553122479 /nfs/dbraw/zinc/12/24/79/553122479.db2.gz YMRQHZCVMINGGF-DFXYEROKSA-N -1 0 515.009 6.414 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000008739270 553131405 /nfs/dbraw/zinc/13/14/05/553131405.db2.gz IMNYBTVHQUPUHM-NQCZRDMCSA-N -1 0 534.524 6.555 50 30 biogenic KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008741003 553132399 /nfs/dbraw/zinc/13/23/99/553132399.db2.gz UZDODZWHTCEZHX-HXUWFJFHSA-N -1 0 509.381 5.997 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008817886 553153099 /nfs/dbraw/zinc/15/30/99/553153099.db2.gz JJSYZBTZHYGDLE-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000008827794 553156992 /nfs/dbraw/zinc/15/69/92/553156992.db2.gz XULUFLHLTVOAIM-IBGZPJMESA-N -1 0 503.736 5.190 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccs3)C2)cc1 ZINC000008857503 553168266 /nfs/dbraw/zinc/16/82/66/553168266.db2.gz KGEXVVPEHJTOJQ-KWMCUTETSA-N -1 0 502.592 5.522 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000008892677 553176758 /nfs/dbraw/zinc/17/67/58/553176758.db2.gz AIEWEWZERRYHON-NRFANRHFSA-N -1 0 522.554 5.115 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894381 553177558 /nfs/dbraw/zinc/17/75/58/553177558.db2.gz FZQOEOXYEJCOAA-JOCHJYFZSA-N -1 0 503.511 5.689 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000008921225 553189662 /nfs/dbraw/zinc/18/96/62/553189662.db2.gz IUFFTLQWVXMURO-IBGZPJMESA-N -1 0 511.422 6.212 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C(F)(F)F ZINC000008983767 553196247 /nfs/dbraw/zinc/19/62/47/553196247.db2.gz SDIJICQGCRNIQF-PKAZHMFMSA-N -1 0 508.323 5.782 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008987915 553196829 /nfs/dbraw/zinc/19/68/29/553196829.db2.gz CZBSWVLDYNGBSM-QGZVFWFLSA-N -1 0 503.363 5.328 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000008996401 553197228 /nfs/dbraw/zinc/19/72/28/553197228.db2.gz SRZBFVQEZVOOGX-QFIPXVFZSA-N -1 0 520.563 5.260 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009046537 553204017 /nfs/dbraw/zinc/20/40/17/553204017.db2.gz IMBUGKNWDUTYKL-NRFANRHFSA-N -1 0 505.483 5.135 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000009065016 553205715 /nfs/dbraw/zinc/20/57/15/553205715.db2.gz PXVNFMVAGFCRMK-NRFANRHFSA-N -1 0 506.536 5.006 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009066382 553206135 /nfs/dbraw/zinc/20/61/35/553206135.db2.gz JGCZZOKMRGONRC-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(Cl)c3)[C@H]2c2ccccc2)nc1C ZINC000009071853 553207106 /nfs/dbraw/zinc/20/71/06/553207106.db2.gz MQJKPTWKTSRCRV-LJQANCHMSA-N -1 0 512.971 5.073 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009123123 553212292 /nfs/dbraw/zinc/21/22/92/553212292.db2.gz HHEKDULBEZRVQK-QFIPXVFZSA-N -1 0 517.519 5.005 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1 ZINC000009186652 553217684 /nfs/dbraw/zinc/21/76/84/553217684.db2.gz BURYFSGWUQDQKY-HXUWFJFHSA-N -1 0 515.791 6.171 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009242559 553226360 /nfs/dbraw/zinc/22/63/60/553226360.db2.gz HQQIDDBYXZZMJZ-VWLOTQADSA-N -1 0 506.555 5.352 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009271223 553230716 /nfs/dbraw/zinc/23/07/16/553230716.db2.gz BGPYXLCAVIZVRE-XMMPIXPASA-N -1 0 516.550 5.792 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009271257 553230744 /nfs/dbraw/zinc/23/07/44/553230744.db2.gz VUVUYPFJTZPUJK-QFIPXVFZSA-N -1 0 520.538 5.244 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009291562 553234600 /nfs/dbraw/zinc/23/46/00/553234600.db2.gz KKGLGKATUPPIHV-WHEQGISXSA-N -1 0 503.967 5.451 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000009291565 553234717 /nfs/dbraw/zinc/23/47/17/553234717.db2.gz KKGLGKATUPPIHV-XMHCIUCPSA-N -1 0 503.967 5.451 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000009302046 553236185 /nfs/dbraw/zinc/23/61/85/553236185.db2.gz AFZXYLFVRZQWOH-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000009310128 553238695 /nfs/dbraw/zinc/23/86/95/553238695.db2.gz OZTRAEDZTGSMAI-INIZCTEOSA-N -1 0 510.196 5.995 50 30 KKEARM CCCCc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009311132 553239239 /nfs/dbraw/zinc/23/92/39/553239239.db2.gz ZZGKMFCXVONBSK-PKAZHMFMSA-N -1 0 518.642 5.735 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccnc2)o1 ZINC000009350543 553245269 /nfs/dbraw/zinc/24/52/69/553245269.db2.gz QERJUCWSYMVUBK-IBGZPJMESA-N -1 0 508.556 5.049 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009357344 553246955 /nfs/dbraw/zinc/24/69/55/553246955.db2.gz CHDTWOHWBIDZTA-FQEVSTJZSA-N -1 0 513.384 5.305 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009359572 553247938 /nfs/dbraw/zinc/24/79/38/553247938.db2.gz IBMJPWDUXCRDFQ-HXUWFJFHSA-N -1 0 502.832 6.050 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000009461234 553267616 /nfs/dbraw/zinc/26/76/16/553267616.db2.gz IRAILGPBRGGKPX-IBGZPJMESA-N -1 0 512.609 5.261 50 30 KKEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000009891819 553314329 /nfs/dbraw/zinc/31/43/29/553314329.db2.gz NPLCQDBAFOPPPP-KOEQRZSOSA-N -1 0 512.562 5.068 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000012275892 553356178 /nfs/dbraw/zinc/35/61/78/553356178.db2.gz VLIOTLHMVKCZJU-RMLRFSFXSA-N -1 0 512.551 5.254 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349716 553359094 /nfs/dbraw/zinc/35/90/94/553359094.db2.gz OZZHVUMZXOICRI-PPHZAIPVSA-N -1 0 511.603 5.664 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc(OC)ccc4OC)c3=O)n2)cc1 ZINC000012371033 553360230 /nfs/dbraw/zinc/36/02/30/553360230.db2.gz ZGZVZGSJYRSMAO-JVCXMKTPSA-N -1 0 513.579 5.055 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)o2)ccc1Cl ZINC000012376487 553361412 /nfs/dbraw/zinc/36/14/12/553361412.db2.gz LHWCVPUNKLPXFU-YQMVTHACSA-N -1 0 514.990 7.102 50 30 KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000012436734 553366274 /nfs/dbraw/zinc/36/62/74/553366274.db2.gz VRGGZEBHGMFYOJ-HZHRSRAPSA-N -1 0 526.662 5.870 50 30 KKEARM O=C(/C(=C/c1cc(Br)c([O-])c(Br)c1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000012564289 553396014 /nfs/dbraw/zinc/39/60/14/553396014.db2.gz BBIAUVLGTPVPOC-WQLSENKSSA-N -1 0 504.203 6.279 50 30 KKEARM CCCCc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000013898183 553495087 /nfs/dbraw/zinc/49/50/87/553495087.db2.gz WTRGWVFLIAKTBZ-FSRJSHLRSA-N -1 0 514.054 7.025 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000016729522 553575575 /nfs/dbraw/zinc/57/55/75/553575575.db2.gz XWTAXIREUVLUAZ-QFIPXVFZSA-N -1 0 520.607 5.590 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016742282 553580158 /nfs/dbraw/zinc/58/01/58/553580158.db2.gz XXXJXWKBAOZVSS-IBGZPJMESA-N -1 0 508.939 5.421 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016805239 553582816 /nfs/dbraw/zinc/58/28/16/553582816.db2.gz ULTQXMVLTFUQKX-HXUWFJFHSA-N -1 0 518.422 6.115 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccnc3)s2)cc1 ZINC000016806223 553583167 /nfs/dbraw/zinc/58/31/67/553583167.db2.gz SYTXNDSPKONHII-JOCHJYFZSA-N -1 0 514.632 5.625 50 30 KKEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000016956902 553585082 /nfs/dbraw/zinc/58/50/82/553585082.db2.gz LAMWVKUHENQBIO-JFLMPSFJSA-N -1 0 506.584 5.103 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198655 553609673 /nfs/dbraw/zinc/60/96/73/553609673.db2.gz OHSQMYCYKVKTOF-CPJLOUKISA-N -1 0 516.022 6.552 50 30 KKEARM Cc1ccsc1[C@@H]1c2c(C)nn(-c3ccccc3C(=O)[O-])c2NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000018198849 553610062 /nfs/dbraw/zinc/61/00/62/553610062.db2.gz OXBLUTFLCWGJFT-VOIUYBSRSA-N -1 0 501.633 6.269 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C\c6ccccc6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070697396 553612770 /nfs/dbraw/zinc/61/27/70/553612770.db2.gz QWQHLLFAUQXEKW-LEIVKUDNSA-N -1 0 572.830 9.000 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070698301 553614184 /nfs/dbraw/zinc/61/41/84/553614184.db2.gz OAZAZBRWAMEGCZ-UTGXESBDSA-N -1 0 532.765 8.584 50 30 biogenic KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019938759 553637695 /nfs/dbraw/zinc/63/76/95/553637695.db2.gz CSSITDPKQNXPQD-CRYYWNKWSA-N -1 0 501.539 5.687 50 30 KKEARM CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000072189136 553645715 /nfs/dbraw/zinc/64/57/15/553645715.db2.gz IPCJTAUIHNCYMX-AOXBRHMESA-N -1 0 597.712 6.315 50 30 KKEARM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=C\C=C\C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000087515252 553693266 /nfs/dbraw/zinc/69/32/66/553693266.db2.gz WXWLHDCCGVWTDZ-UHFFFAOYSA-O -1 0 754.904 5.538 50 30 in-vitro KKEARM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000096287848 553738902 /nfs/dbraw/zinc/73/89/02/553738902.db2.gz GLHPGZLPYRNVAR-DFHRPNOPSA-N -1 0 510.546 5.405 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CC(C)C)cc1 ZINC000097466933 553758954 /nfs/dbraw/zinc/75/89/54/553758954.db2.gz VJUSJIYTGAZNME-QDJMWYJCSA-N -1 0 510.999 6.567 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939620 553759974 /nfs/dbraw/zinc/75/99/74/553759974.db2.gz BPUAFEQTSKMMFP-UZTOHYMASA-N -1 0 560.628 5.866 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939691 553760439 /nfs/dbraw/zinc/76/04/39/553760439.db2.gz MEJWMKDYRGRMQG-FYSMJZIKSA-N -1 0 558.678 5.419 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097940009 553763348 /nfs/dbraw/zinc/76/33/48/553763348.db2.gz NDCFZRYTJPPKGU-HMILPKGGSA-N -1 0 590.654 5.744 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000097940264 553764065 /nfs/dbraw/zinc/76/40/65/553764065.db2.gz XIMDCPWMQSQGPT-NUDFZHEQSA-N -1 0 607.051 6.822 50 30 KKEARM O=C(CCCOc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000097940305 553764317 /nfs/dbraw/zinc/76/43/17/553764317.db2.gz FAWGVQOPDOVRDA-UHFFFAOYSA-N -1 0 789.543 8.403 50 30 KKEARM Cc1cc(C)n(-c2nc(N=NCc3cc(Cl)cc(Br)c3[O-])nc(Nc3ccc(C)cc3)n2)n1 ZINC000097945458 553772389 /nfs/dbraw/zinc/77/23/89/553772389.db2.gz OMCMZKAGSHWPPL-OPEKNORGSA-N -1 0 527.814 5.294 50 30 KKEARM CCc1ccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000097950068 553803412 /nfs/dbraw/zinc/80/34/12/553803412.db2.gz PMTNYDXCOWIBBN-BRJLIKDPSA-N -1 0 594.190 6.723 50 30 KKEARM CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C(=O)[O-])c1)C(Cl)(Cl)Cl ZINC000097950748 553805513 /nfs/dbraw/zinc/80/55/13/553805513.db2.gz STAJPGBUDWBVDT-QHCPKHFHSA-N -1 0 567.023 7.575 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000097951496 553809360 /nfs/dbraw/zinc/80/93/60/553809360.db2.gz HDNDIWJYHUFFHP-QFIPXVFZSA-N -1 0 528.439 5.414 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000097951676 553810491 /nfs/dbraw/zinc/81/04/91/553810491.db2.gz WQQFUUGCAOKPIB-FQEVSTJZSA-N -1 0 536.731 6.904 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000097951798 553811451 /nfs/dbraw/zinc/81/14/51/553811451.db2.gz KUXLOLRLRNEDQJ-JOCHJYFZSA-N -1 0 522.604 5.557 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000097952234 553814157 /nfs/dbraw/zinc/81/41/57/553814157.db2.gz JDNKZCCRVKGQNO-XMMPIXPASA-N -1 0 542.573 5.425 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952483 553816090 /nfs/dbraw/zinc/81/60/90/553816090.db2.gz MSESIILBIKYWGF-JOCHJYFZSA-N -1 0 519.966 6.203 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1 ZINC000097954032 553820883 /nfs/dbraw/zinc/82/08/83/553820883.db2.gz XJXDNXBSXVXVHM-JOCHJYFZSA-N -1 0 520.588 5.311 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955059 553827820 /nfs/dbraw/zinc/82/78/20/553827820.db2.gz COHFWDCMQFYUEK-ZAMGYDSWSA-N -1 0 537.424 6.709 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097955047 553827968 /nfs/dbraw/zinc/82/79/68/553827968.db2.gz SYPFXUZTYMJRLX-AREMUKBSSA-N -1 0 600.649 5.623 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097955142 553829011 /nfs/dbraw/zinc/82/90/11/553829011.db2.gz QUUDKXHWTWMLFU-YEJXKQKISA-N -1 0 539.009 5.388 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097955214 553829874 /nfs/dbraw/zinc/82/98/74/553829874.db2.gz VQDGUISJXRILPG-SSEXGKCCSA-N -1 0 641.101 7.091 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)s1 ZINC000027529799 553831632 /nfs/dbraw/zinc/83/16/32/553831632.db2.gz SRKMRNJDRDZIAM-XMMPIXPASA-N -1 0 513.575 5.222 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097955589 553831680 /nfs/dbraw/zinc/83/16/80/553831680.db2.gz QQCDUDFYYCPZCB-RUZDIDTESA-N -1 0 606.653 5.146 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955575 553831690 /nfs/dbraw/zinc/83/16/90/553831690.db2.gz BCXKJKDPMIIDIU-BZQUYTCOSA-N -1 0 547.032 6.455 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955607 553832029 /nfs/dbraw/zinc/83/20/29/553832029.db2.gz CQVJWPJZRJXPRD-ZLOXQWCVSA-N -1 0 531.521 5.450 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956839 553842682 /nfs/dbraw/zinc/84/26/82/553842682.db2.gz ZGSFMKKPYNXSGJ-SANMLTNESA-N -1 0 584.650 6.520 50 30 KKEARM C=CCc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC ZINC000097958184 553852106 /nfs/dbraw/zinc/85/21/06/553852106.db2.gz FRBUTCWVHCHRMH-KQWNVCNZSA-N -1 0 670.354 7.303 50 30 KKEARM N#Cc1ccccc1COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000097960826 553873701 /nfs/dbraw/zinc/87/37/01/553873701.db2.gz UTELARKNMJKWQX-KEBDBYFISA-N -1 0 546.333 5.135 50 30 KKEARM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000097960967 553874776 /nfs/dbraw/zinc/87/47/76/553874776.db2.gz NPIISLQDODGFIM-YBEGLDIGSA-N -1 0 521.820 5.738 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000097964877 553901276 /nfs/dbraw/zinc/90/12/76/553901276.db2.gz JYODBTMERIKLBI-IURWMYGYSA-N -1 0 667.404 8.908 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Oc5ccccc5)cc4)c3=O)n2)cc1 ZINC000097965388 553904527 /nfs/dbraw/zinc/90/45/27/553904527.db2.gz QGJCRLDUHGWKDN-BNIPGBBVSA-N -1 0 529.625 7.130 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)n1/N=C/c1ccccc1 ZINC000097966336 553908079 /nfs/dbraw/zinc/90/80/79/553908079.db2.gz AQEBDDSQDJYGID-CATOXKTQSA-N -1 0 600.314 8.081 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000097966886 553911454 /nfs/dbraw/zinc/91/14/54/553911454.db2.gz NMZIUOXAAOTMEZ-JOCHJYFZSA-N -1 0 555.052 6.160 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097967193 553914748 /nfs/dbraw/zinc/91/47/48/553914748.db2.gz AIOOEXAQUWPODR-MHZLTWQESA-N -1 0 598.652 6.604 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967263 553915803 /nfs/dbraw/zinc/91/58/03/553915803.db2.gz UCUBHESGQFBZIC-MRDQGFSESA-N -1 0 620.152 6.989 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967280 553916125 /nfs/dbraw/zinc/91/61/25/553916125.db2.gz DZQMKVZQHDQYQY-IVCQMTBJSA-N -1 0 589.670 6.084 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967300 553916817 /nfs/dbraw/zinc/91/68/17/553916817.db2.gz PATINVOWOKZNQQ-SONOPUAISA-N -1 0 678.232 7.778 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967352 553917206 /nfs/dbraw/zinc/91/72/06/553917206.db2.gz QLFOLMPTJOGJJF-GDLZYMKVSA-N -1 0 611.075 7.083 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097967354 553917287 /nfs/dbraw/zinc/91/72/87/553917287.db2.gz UDSGTUDCCRWRIG-HSZRJFAPSA-N -1 0 553.423 6.466 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097967342 553917310 /nfs/dbraw/zinc/91/73/10/553917310.db2.gz NILAEUQPCJKQOY-GDLZYMKVSA-N -1 0 656.713 6.160 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097967421 553918145 /nfs/dbraw/zinc/91/81/45/553918145.db2.gz HIXXGNBIZKZUEG-SANMLTNESA-N -1 0 604.681 5.917 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967605 553920540 /nfs/dbraw/zinc/92/05/40/553920540.db2.gz YFLJRCRWEHLJFX-WRONEBCDSA-N -1 0 645.778 7.501 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967616 553921121 /nfs/dbraw/zinc/92/11/21/553921121.db2.gz MSGYGRNGFPCIAK-QKVFXAPYSA-N -1 0 629.485 5.211 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967684 553921791 /nfs/dbraw/zinc/92/17/91/553921791.db2.gz WSXWKYRSCBLMHF-JPQMRUPTSA-N -1 0 685.868 8.069 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967757 553922861 /nfs/dbraw/zinc/92/28/61/553922861.db2.gz PBIQVNCYQYZJOX-VWLOTQADSA-N -1 0 563.031 6.293 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967792 553923005 /nfs/dbraw/zinc/92/30/05/553923005.db2.gz JVOMOFAFLLPYSH-UGDMGKLASA-N -1 0 671.841 7.904 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967791 553923174 /nfs/dbraw/zinc/92/31/74/553923174.db2.gz JVOMOFAFLLPYSH-WKRVVKTRSA-N -1 0 671.841 7.904 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097967806 553923580 /nfs/dbraw/zinc/92/35/80/553923580.db2.gz XMVWXBCFYBTIFF-WENCNXQZSA-N -1 0 675.804 7.653 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097967862 553924618 /nfs/dbraw/zinc/92/46/18/553924618.db2.gz YZHRGZGIQPSKNI-PMERELPUSA-N -1 0 691.803 7.347 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967906 553924896 /nfs/dbraw/zinc/92/48/96/553924896.db2.gz OPKIBQHXQNMZKE-YTTGMZPUSA-N -1 0 679.820 8.107 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967949 553925243 /nfs/dbraw/zinc/92/52/43/553925243.db2.gz NWYSLUFFCOPBBL-MUUNZHRXSA-N -1 0 664.205 7.463 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097967950 553925280 /nfs/dbraw/zinc/92/52/80/553925280.db2.gz NWYSLUFFCOPBBL-NDEPHWFRSA-N -1 0 664.205 7.463 50 30 KKEARM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000033353475 553925363 /nfs/dbraw/zinc/92/53/63/553925363.db2.gz IEFZXWFGKOYVCK-FKHPOCDDSA-N -1 0 522.262 6.464 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967967 553925835 /nfs/dbraw/zinc/92/58/35/553925835.db2.gz SRQXLHYNTGSNKG-HSZRJFAPSA-N -1 0 630.506 6.830 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968038 553926569 /nfs/dbraw/zinc/92/65/69/553926569.db2.gz RAHJEOYXSZVSFP-GDLZYMKVSA-N -1 0 637.739 6.936 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968064 553927038 /nfs/dbraw/zinc/92/70/38/553927038.db2.gz WSOFNDMMPXWPNK-MUUNZHRXSA-N -1 0 663.749 6.711 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968077 553927349 /nfs/dbraw/zinc/92/73/49/553927349.db2.gz SITBMWRFEJMDPY-VWLOTQADSA-N -1 0 587.679 5.783 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968099 553927402 /nfs/dbraw/zinc/92/74/02/553927402.db2.gz WCKCFJPYWAXQSA-MHZLTWQESA-N -1 0 649.722 6.321 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968139 553928271 /nfs/dbraw/zinc/92/82/71/553928271.db2.gz MYZDVXFCBJTFIY-OWJWWREXSA-N -1 0 592.098 6.296 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968143 553928527 /nfs/dbraw/zinc/92/85/27/553928527.db2.gz QXALVKORBUJUGA-NDEPHWFRSA-N -1 0 623.712 6.546 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968189 553928819 /nfs/dbraw/zinc/92/88/19/553928819.db2.gz YCVIAAHSRVAXCP-PMERELPUSA-N -1 0 649.750 7.103 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968176 553928845 /nfs/dbraw/zinc/92/88/45/553928845.db2.gz PALBKIODDRLUFE-GDLZYMKVSA-N -1 0 677.776 7.101 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968212 553929095 /nfs/dbraw/zinc/92/90/95/553929095.db2.gz CFUDIWOSKMSBIH-AREMUKBSSA-N -1 0 585.707 6.508 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968225 553929159 /nfs/dbraw/zinc/92/91/59/553929159.db2.gz GIRPCHSRKHFDSK-NDEPHWFRSA-N -1 0 664.205 7.607 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968283 553930104 /nfs/dbraw/zinc/93/01/04/553930104.db2.gz WQNJPEWXKMWWDO-SSEXGKCCSA-N -1 0 742.703 8.659 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000097968296 553930338 /nfs/dbraw/zinc/93/03/38/553930338.db2.gz HOMBDEWZRFVSKE-RUZDIDTESA-N -1 0 555.612 5.303 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097968311 553930397 /nfs/dbraw/zinc/93/03/97/553930397.db2.gz HNFBGTWVXXVGME-MHZLTWQESA-N -1 0 582.634 5.787 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000097968295 553930404 /nfs/dbraw/zinc/93/04/04/553930404.db2.gz HOMBDEWZRFVSKE-VWLOTQADSA-N -1 0 555.612 5.303 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968351 553930747 /nfs/dbraw/zinc/93/07/47/553930747.db2.gz PCNKJAZIVDQLJD-MYYSRTQBSA-N -1 0 575.643 5.781 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968337 553930862 /nfs/dbraw/zinc/93/08/62/553930862.db2.gz SNGGSHYCESCDAU-JBEBIEQOSA-N -1 0 644.989 7.897 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968419 553932379 /nfs/dbraw/zinc/93/23/79/553932379.db2.gz KOIGESPLGCVLLV-MYODQAERSA-N -1 0 611.445 6.018 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968421 553932418 /nfs/dbraw/zinc/93/24/18/553932418.db2.gz KOIGESPLGCVLLV-DAOPMYJZSA-N -1 0 611.445 6.018 50 30 KKEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(N5N=C(c6ccccc6)C[C@@H]5c5ccccc5)cc4)c3=O)c2c1 ZINC000097968479 553932794 /nfs/dbraw/zinc/93/27/94/553932794.db2.gz RQVCBGQQYLEAPE-BMPNZVKJSA-N -1 0 538.611 6.130 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 ZINC000033355210 553933736 /nfs/dbraw/zinc/93/37/36/553933736.db2.gz JQFORHLORSHCTJ-UHFFFAOYSA-N -1 0 580.475 5.925 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969159 553937542 /nfs/dbraw/zinc/93/75/42/553937542.db2.gz VHZWXNNUDXQQAB-JBEBIEQOSA-N -1 0 551.451 7.018 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969201 553937707 /nfs/dbraw/zinc/93/77/07/553937707.db2.gz WHALWRZCWJRFPQ-WKRVVKTRSA-N -1 0 647.778 7.516 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000097969196 553937783 /nfs/dbraw/zinc/93/77/83/553937783.db2.gz NHCBURMNTGGNEM-JOCHJYFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969245 553938384 /nfs/dbraw/zinc/93/83/84/553938384.db2.gz SBZJIAGMQCPIMT-VKGTZQKMSA-N -1 0 631.751 7.255 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969282 553939330 /nfs/dbraw/zinc/93/93/30/553939330.db2.gz ZSFREEOKHPESSI-MYUZEXMDSA-N -1 0 632.163 7.155 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000097969411 553940788 /nfs/dbraw/zinc/94/07/88/553940788.db2.gz UOQWPEJTJZOHSP-FQEVSTJZSA-N -1 0 592.081 6.757 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969458 553941085 /nfs/dbraw/zinc/94/10/85/553941085.db2.gz FKHCSWFQWHIKRL-MUUNZHRXSA-N -1 0 658.729 6.324 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969565 553942300 /nfs/dbraw/zinc/94/23/00/553942300.db2.gz MAQLHTIFTSMANG-HSZRJFAPSA-N -1 0 569.422 6.166 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969712 553943765 /nfs/dbraw/zinc/94/37/65/553943765.db2.gz OIBTWMBFKZFNCJ-HKBQPEDESA-N -1 0 636.682 6.447 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969772 553944688 /nfs/dbraw/zinc/94/46/88/553944688.db2.gz DISQCVSQOMEVOF-AFJIDDCJSA-N -1 0 641.771 6.900 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969800 553945020 /nfs/dbraw/zinc/94/50/20/553945020.db2.gz AMHBIEZHIKSDKD-WRGVRERRSA-N -1 0 675.804 7.653 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969944 553947216 /nfs/dbraw/zinc/94/72/16/553947216.db2.gz GJLYXBKYSWQUFO-WINIVTDRSA-N -1 0 599.734 6.726 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097969981 553947816 /nfs/dbraw/zinc/94/78/16/553947816.db2.gz RCOBNQPAPRVFCU-GDLZYMKVSA-N -1 0 616.692 6.293 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970011 553948118 /nfs/dbraw/zinc/94/81/18/553948118.db2.gz XCXVNGFHBWUOPR-IIMAJNMQSA-N -1 0 655.798 7.209 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970033 553948748 /nfs/dbraw/zinc/94/87/48/553948748.db2.gz CQFNRBHTFXLVBR-SLQAJWMNSA-N -1 0 621.740 7.099 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970098 553949583 /nfs/dbraw/zinc/94/95/83/553949583.db2.gz RHAHLGYFQJIMPY-ZWVRTZEQSA-N -1 0 705.858 8.223 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970116 553949950 /nfs/dbraw/zinc/94/99/50/553949950.db2.gz XTZZZZDKMWQPDM-CLYVBNDRSA-N -1 0 617.724 6.865 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970125 553950070 /nfs/dbraw/zinc/95/00/70/553950070.db2.gz DEDRDSFMKAOMOW-WINIVTDRSA-N -1 0 599.734 6.644 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970165 553950414 /nfs/dbraw/zinc/95/04/14/553950414.db2.gz YISZKSHSNAKION-SLQAJWMNSA-N -1 0 661.777 7.263 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970216 553951110 /nfs/dbraw/zinc/95/11/10/553951110.db2.gz XDUHDAMLSZHPOU-ADXZGYQBSA-N -1 0 696.678 8.813 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970299 553951939 /nfs/dbraw/zinc/95/19/39/553951939.db2.gz SLPZXFOCVZWNEF-OLILMLBXSA-N -1 0 645.778 7.501 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970280 553952001 /nfs/dbraw/zinc/95/20/01/553952001.db2.gz YLDPHRORZTYZJW-IVCQMTBJSA-N -1 0 606.125 6.599 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000097970276 553952082 /nfs/dbraw/zinc/95/20/82/553952082.db2.gz MTYVHPYZCRALDK-DEOSSOPVSA-N -1 0 578.643 5.361 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970362 553952902 /nfs/dbraw/zinc/95/29/02/553952902.db2.gz YBMLNDVEDOUVEM-CLYVBNDRSA-N -1 0 615.708 6.641 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970422 553953748 /nfs/dbraw/zinc/95/37/48/553953748.db2.gz FBPLCFWUZIQWGS-SXBQZSJRSA-N -1 0 593.057 6.082 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970446 553954063 /nfs/dbraw/zinc/95/40/63/553954063.db2.gz KBNPZYBIQRYOMH-JPQMRUPTSA-N -1 0 685.868 8.213 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970452 553954110 /nfs/dbraw/zinc/95/41/10/553954110.db2.gz ZBRAWKBUSFEZJG-GHRAFVERSA-N -1 0 663.821 8.269 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970487 553954496 /nfs/dbraw/zinc/95/44/96/553954496.db2.gz ZYZUKXDVCOAGCO-NDEPHWFRSA-N -1 0 628.703 6.316 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970483 553954643 /nfs/dbraw/zinc/95/46/43/553954643.db2.gz VVDLXOGUDOGWEI-BGOLNKOXSA-N -1 0 647.778 7.655 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc4c(c3)OCO4)/C(=N/c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000033358347 553954834 /nfs/dbraw/zinc/95/48/34/553954834.db2.gz HNFXYVMHUFZJFP-AUEMQQPVSA-N -1 0 571.533 5.293 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970504 553954920 /nfs/dbraw/zinc/95/49/20/553954920.db2.gz WICDEVOXFPZIPD-PUAOIOHZSA-N -1 0 634.135 6.377 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970491 553955162 /nfs/dbraw/zinc/95/51/62/553955162.db2.gz MCUHKIKQXSIJSQ-NBLPZQPVSA-N -1 0 693.847 8.277 50 30 KKEARM O=C([N-]CCCCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000097990130 554028103 /nfs/dbraw/zinc/02/81/03/554028103.db2.gz KXIMSURTQOBOCS-UHFFFAOYSA-N -1 0 545.258 5.368 50 30 KKEARM Cc1cccc2c3nnc(N=NCc4c(Br)cc(Br)c([O-])c4Br)nc3[nH]c21 ZINC000097997110 554039971 /nfs/dbraw/zinc/03/99/71/554039971.db2.gz HHMLIYTUDWRWLO-MPUCSWFWSA-N -1 0 555.028 5.254 50 30 KKEARM CC(C)(C)c1ccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc([N+](=O)[O-])c3[O-])cc2)cc1 ZINC000097997805 554040494 /nfs/dbraw/zinc/04/04/94/554040494.db2.gz AKNUAQODAYTGTK-HNSNBQBZSA-N -1 0 542.035 7.845 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098043589 554128285 /nfs/dbraw/zinc/12/82/85/554128285.db2.gz FPQCRAONMSYTCR-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@@H](c4ccc(Cl)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000098044801 554129796 /nfs/dbraw/zinc/12/97/96/554129796.db2.gz NYZLFEYXFUWBDQ-UIOOFZCWSA-N -1 0 522.033 6.586 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046314 554137604 /nfs/dbraw/zinc/13/76/04/554137604.db2.gz OHRIIWWCPMGOKN-RUZDIDTESA-N -1 0 576.671 6.073 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000098046309 554137616 /nfs/dbraw/zinc/13/76/16/554137616.db2.gz KNUUPTHSUMEBOE-DEOSSOPVSA-N -1 0 578.643 5.302 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098046457 554139472 /nfs/dbraw/zinc/13/94/72/554139472.db2.gz UOWCWSBBVQFKHP-VWLOTQADSA-N -1 0 636.593 7.555 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046496 554139801 /nfs/dbraw/zinc/13/98/01/554139801.db2.gz LGRCGNCESCMUBJ-SSEXGKCCSA-N -1 0 687.746 7.488 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046504 554139865 /nfs/dbraw/zinc/13/98/65/554139865.db2.gz HZFSFDZQUCUYMY-SSEXGKCCSA-N -1 0 704.201 8.002 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046542 554140337 /nfs/dbraw/zinc/14/03/37/554140337.db2.gz PXWMTOTTXILKTE-SANMLTNESA-N -1 0 599.665 7.063 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046615 554141645 /nfs/dbraw/zinc/14/16/45/554141645.db2.gz YABPZOCMJCSTOO-SANMLTNESA-N -1 0 577.058 6.683 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098046663 554142000 /nfs/dbraw/zinc/14/20/00/554142000.db2.gz IBTRNCISXPXAAR-JOCHJYFZSA-N -1 0 565.604 5.498 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098046711 554142823 /nfs/dbraw/zinc/14/28/23/554142823.db2.gz ZUHLMDJZLXHAIJ-HSZRJFAPSA-N -1 0 577.615 5.664 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1 ZINC000098046843 554144202 /nfs/dbraw/zinc/14/42/02/554144202.db2.gz JNJGKKUAOLJZJA-NRFANRHFSA-N -1 0 535.050 5.970 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccncc2)cc1 ZINC000098046847 554144404 /nfs/dbraw/zinc/14/44/04/554144404.db2.gz RLOJSPMVQAEEHP-NRFANRHFSA-N -1 0 551.049 5.670 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047251 554148298 /nfs/dbraw/zinc/14/82/98/554148298.db2.gz JHTXQQZOFZFUEC-WJOKGBTCSA-N -1 0 683.783 7.657 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047282 554148780 /nfs/dbraw/zinc/14/87/80/554148780.db2.gz HZFCUJSVENRMJK-VWLOTQADSA-N -1 0 564.660 5.879 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1F ZINC000098047271 554148831 /nfs/dbraw/zinc/14/88/31/554148831.db2.gz QXUUWWKNXFRSSJ-HHHXNRCGSA-N -1 0 629.691 6.628 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047313 554149345 /nfs/dbraw/zinc/14/93/45/554149345.db2.gz VJHPIFPIJNCIFI-MUUNZHRXSA-N -1 0 643.693 7.692 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047338 554149593 /nfs/dbraw/zinc/14/95/93/554149593.db2.gz KZMRSDCEVWILKG-AREMUKBSSA-N -1 0 605.713 6.940 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccnc2)cc1 ZINC000098047353 554149604 /nfs/dbraw/zinc/14/96/04/554149604.db2.gz IJSQLJCXPXHECP-DEOSSOPVSA-N -1 0 593.130 6.841 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2)cc1 ZINC000098047359 554149664 /nfs/dbraw/zinc/14/96/64/554149664.db2.gz UNYOAPIRAMTDHG-VWLOTQADSA-N -1 0 592.142 7.446 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047373 554150019 /nfs/dbraw/zinc/15/00/19/554150019.db2.gz YMIDIKFVPBSSHO-SANMLTNESA-N -1 0 587.723 6.801 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047378 554150115 /nfs/dbraw/zinc/15/01/15/554150115.db2.gz HWZZRCJBABNDPG-RUZDIDTESA-N -1 0 592.142 7.446 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)c(F)c4)[C@@H]3c3cccc(Oc4ccccc4)c3)s2)cc1 ZINC000098047397 554150403 /nfs/dbraw/zinc/15/04/03/554150403.db2.gz SYMIRQCZWJODRL-LJAQVGFWSA-N -1 0 623.731 8.162 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047403 554150499 /nfs/dbraw/zinc/15/04/99/554150499.db2.gz XYXNWFPIHXBMIR-LJAQVGFWSA-N -1 0 664.249 8.625 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047406 554150536 /nfs/dbraw/zinc/15/05/36/554150536.db2.gz KZTSRKMUBCXLGF-MUUNZHRXSA-N -1 0 620.768 7.405 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047412 554150622 /nfs/dbraw/zinc/15/06/22/554150622.db2.gz DUGGPUPFOLCMKR-GDLZYMKVSA-N -1 0 629.804 7.971 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047430 554150924 /nfs/dbraw/zinc/15/09/24/554150924.db2.gz ZLQVHAHMZLYPMJ-MUUNZHRXSA-N -1 0 633.767 7.720 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047448 554150933 /nfs/dbraw/zinc/15/09/33/554150933.db2.gz ALUXRDYSFCUACS-GDLZYMKVSA-N -1 0 661.777 7.505 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047429 554151007 /nfs/dbraw/zinc/15/10/07/554151007.db2.gz JPOVYJNPCMYYQF-LJAQVGFWSA-N -1 0 664.249 8.625 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047474 554151254 /nfs/dbraw/zinc/15/12/54/554151254.db2.gz BAMNMIUTGUADNP-MUUNZHRXSA-N -1 0 615.777 7.581 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047468 554151301 /nfs/dbraw/zinc/15/13/01/554151301.db2.gz YOFGOYSQKJAROG-GDLZYMKVSA-N -1 0 643.787 7.366 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047456 554151395 /nfs/dbraw/zinc/15/13/95/554151395.db2.gz UGNQMSBNDZAPBE-MGBGTMOVSA-N -1 0 677.848 8.680 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047484 554151884 /nfs/dbraw/zinc/15/18/84/554151884.db2.gz CDJKJDVELALLOC-MHZLTWQESA-N -1 0 629.760 6.887 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000098047513 554152157 /nfs/dbraw/zinc/15/21/57/554152157.db2.gz NKTLTJXPCKAQNQ-GDLZYMKVSA-N -1 0 650.794 7.558 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047535 554152193 /nfs/dbraw/zinc/15/21/93/554152193.db2.gz ORLQDWFIOWNCGN-DEOSSOPVSA-N -1 0 630.550 7.766 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047582 554152932 /nfs/dbraw/zinc/15/29/32/554152932.db2.gz OOCVJAYQRSCRNV-VWLOTQADSA-N -1 0 620.684 6.840 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047592 554153124 /nfs/dbraw/zinc/15/31/24/554153124.db2.gz LGTOVGOCXKAFIY-HKBQPEDESA-N -1 0 678.848 8.194 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047636 554153900 /nfs/dbraw/zinc/15/39/00/554153900.db2.gz CSAOKGVDCGQIPS-XIFFEERXSA-N -1 0 719.901 9.289 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098047646 554154008 /nfs/dbraw/zinc/15/40/08/554154008.db2.gz LSLAHSNYEOXPAK-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047650 554154048 /nfs/dbraw/zinc/15/40/48/554154048.db2.gz ADCVKBMEEPUXPY-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047703 554154795 /nfs/dbraw/zinc/15/47/95/554154795.db2.gz YHBRZJQSXFARJF-MUUNZHRXSA-N -1 0 627.719 7.313 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000098047709 554154935 /nfs/dbraw/zinc/15/49/35/554154935.db2.gz FTRJXKUAFXLTQQ-UUWRZZSWSA-N -1 0 703.817 8.802 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F ZINC000098047701 554154968 /nfs/dbraw/zinc/15/49/68/554154968.db2.gz MHEVBXWMPSTCPD-AREMUKBSSA-N -1 0 583.666 6.914 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000098047784 554155710 /nfs/dbraw/zinc/15/57/10/554155710.db2.gz DTCGEQMUDBZVJF-LJAQVGFWSA-N -1 0 685.780 6.810 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000098047772 554155804 /nfs/dbraw/zinc/15/58/04/554155804.db2.gz IZININIDGFGRJG-MHZLTWQESA-N -1 0 613.692 6.923 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1OC ZINC000098047810 554156272 /nfs/dbraw/zinc/15/62/72/554156272.db2.gz SJGNNKGEGCXORP-UMSFTDKQSA-N -1 0 701.826 8.363 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1OC ZINC000098047803 554156316 /nfs/dbraw/zinc/15/63/16/554156316.db2.gz LSGFQAXKPDRSOL-HHHXNRCGSA-N -1 0 611.701 6.489 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000098047791 554156343 /nfs/dbraw/zinc/15/63/43/554156343.db2.gz HIUFHJBJEWPUJP-GDLZYMKVSA-N -1 0 655.754 6.801 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047806 554156423 /nfs/dbraw/zinc/15/64/23/554156423.db2.gz KDZNUHCWUKDEBP-NDEPHWFRSA-N -1 0 625.728 6.792 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Cl)c2)cc1F ZINC000098047827 554156680 /nfs/dbraw/zinc/15/66/80/554156680.db2.gz GGFWZYXPWXRQLR-AREMUKBSSA-N -1 0 602.112 7.867 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000098048009 554158290 /nfs/dbraw/zinc/15/82/90/554158290.db2.gz LTNXXMLMPMWVGJ-VWLOTQADSA-N -1 0 528.586 5.528 50 30 KKEARM CO[C@@H]1CC([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047981 554158364 /nfs/dbraw/zinc/15/83/64/554158364.db2.gz SNHNMELEUNXBRP-XLIONFOSSA-N -1 0 539.660 5.089 50 30 KKEARM CO[C@H]1CC([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)=CCC1=O ZINC000098047982 554158374 /nfs/dbraw/zinc/15/83/74/554158374.db2.gz SNHNMELEUNXBRP-PXNSSMCTSA-N -1 0 539.660 5.089 50 30 KKEARM COc1ccc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OCCC(C)C)c3)nc2c1 ZINC000098047995 554158417 /nfs/dbraw/zinc/15/84/17/554158417.db2.gz GKEGCXVKOPRTQW-XMMPIXPASA-N -1 0 534.659 6.574 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000100005908 554178026 /nfs/dbraw/zinc/17/80/26/554178026.db2.gz IRCKBUMFIGULOS-BYNJWEBRSA-N -1 0 577.420 5.708 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100006163 554178285 /nfs/dbraw/zinc/17/82/85/554178285.db2.gz GZAIXMXJTDVSOM-SFTDATJTSA-N -1 0 524.831 6.012 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000100006131 554178301 /nfs/dbraw/zinc/17/83/01/554178301.db2.gz QLCSZHOXWNOXHE-FCHUYYIVSA-N -1 0 520.412 5.367 50 30 KKEARM CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccccc3C(=O)[O-])c3ccccc32)cc1 ZINC000100039625 554191931 /nfs/dbraw/zinc/19/19/31/554191931.db2.gz WGMXUWPLROIYEX-OEYXHEATSA-N -1 0 542.591 5.737 50 30 KKEARM CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)CC1 ZINC000100056038 554196536 /nfs/dbraw/zinc/19/65/36/554196536.db2.gz AICZWFKXGPHGOP-ZVHZXABRSA-N -1 0 509.242 5.117 50 30 KKEARM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100074894 554203808 /nfs/dbraw/zinc/20/38/08/554203808.db2.gz IEFZXWFGKOYVCK-UQACLUTFSA-N -1 0 522.262 6.464 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100149525 554231403 /nfs/dbraw/zinc/23/14/03/554231403.db2.gz UADKSRGKGKIKGM-LFVJCYFKSA-N -1 0 554.213 5.978 50 30 KKEARM CC(C)CC(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100234004 554257835 /nfs/dbraw/zinc/25/78/35/554257835.db2.gz PYCBVLUBTMHNPW-HHHXNRCGSA-N -1 0 574.718 5.997 50 30 KKEARM COc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000100261251 554265546 /nfs/dbraw/zinc/26/55/46/554265546.db2.gz MSADESWZERRXJP-QNQJOHRQSA-N -1 0 526.570 6.471 50 30 KKEARM COc1cccc(/C=C2\Oc3c(c(C)cc([O-])c3CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1OC ZINC000041585268 554296454 /nfs/dbraw/zinc/29/64/54/554296454.db2.gz OFTUSTYCIQQSJS-MYYYXRDXSA-N -1 0 521.013 5.310 50 30 KKEARM Cc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000043199871 554297704 /nfs/dbraw/zinc/29/77/04/554297704.db2.gz XLEVMSDNWOWFNX-AREMUKBSSA-N -1 0 579.497 5.863 50 30 KKEARM CCOCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C(=O)[O-])c2)S/C1=N/c1ccccc1 ZINC000100312865 554301812 /nfs/dbraw/zinc/30/18/12/554301812.db2.gz QFUJRZQYCUMRJH-WZGRHJFWSA-N -1 0 502.592 5.604 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053290017 554331302 /nfs/dbraw/zinc/33/13/02/554331302.db2.gz FEJVJPNJRHKFME-IBGZPJMESA-N -1 0 547.416 5.645 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000053290997 554331527 /nfs/dbraw/zinc/33/15/27/554331527.db2.gz ZVUHCOKFHBCPEZ-HXUWFJFHSA-N -1 0 526.343 5.426 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291513 554332129 /nfs/dbraw/zinc/33/21/29/554332129.db2.gz WGQSFFHCSZXSCR-JOCHJYFZSA-N -1 0 553.409 6.380 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000053305878 554332910 /nfs/dbraw/zinc/33/29/10/554332910.db2.gz PSTBBKLTXWZSBA-JOCHJYFZSA-N -1 0 541.412 6.403 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053306657 554334492 /nfs/dbraw/zinc/33/44/92/554334492.db2.gz JENQNAUBTOCBKY-JOCHJYFZSA-N -1 0 553.409 6.380 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000053307433 554335111 /nfs/dbraw/zinc/33/51/11/554335111.db2.gz GSSSLPAJOUZHEC-DEOSSOPVSA-N -1 0 551.020 6.149 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307225 554335095 /nfs/dbraw/zinc/33/50/95/554335095.db2.gz UTRQWVNLSCHDMU-HXUWFJFHSA-N -1 0 561.443 6.035 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053308167 554336041 /nfs/dbraw/zinc/33/60/41/554336041.db2.gz OZFJBWPVRNXWCW-NRFANRHFSA-N -1 0 523.383 6.289 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319178 554336528 /nfs/dbraw/zinc/33/65/28/554336528.db2.gz YEXXSOWRKGVPDB-OAQYLSRUSA-N -1 0 521.392 5.850 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053332772 554338913 /nfs/dbraw/zinc/33/89/13/554338913.db2.gz KPMWPDPOWMIAOO-QFIPXVFZSA-N -1 0 553.865 7.058 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053332969 554339369 /nfs/dbraw/zinc/33/93/69/554339369.db2.gz HODWVFUUNOQMTF-VWLOTQADSA-N -1 0 572.595 5.036 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000053332909 554339558 /nfs/dbraw/zinc/33/95/58/554339558.db2.gz TXDTVXIBWAPKEC-MYYSRTQBSA-N -1 0 577.634 6.215 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000053334815 554340219 /nfs/dbraw/zinc/34/02/19/554340219.db2.gz RSEGNZCTDVBTEP-GKVSMKOHSA-N -1 0 571.680 5.945 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053335149 554340749 /nfs/dbraw/zinc/34/07/49/554340749.db2.gz VQFLDCNUGUKLAJ-NRFANRHFSA-N -1 0 558.226 5.788 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053336907 554341899 /nfs/dbraw/zinc/34/18/99/554341899.db2.gz IOAKEVYSVCTVOI-FPTDNZKUSA-N -1 0 551.020 5.554 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053337168 554342125 /nfs/dbraw/zinc/34/21/25/554342125.db2.gz PLOGEIUYRZOVGW-QFIPXVFZSA-N -1 0 573.841 6.811 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053337488 554342344 /nfs/dbraw/zinc/34/23/44/554342344.db2.gz FQRBSHBCPRHLFH-DEOSSOPVSA-N -1 0 565.003 5.521 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053339252 554343043 /nfs/dbraw/zinc/34/30/43/554343043.db2.gz GIKRHMXIUYKMKJ-HHHXNRCGSA-N -1 0 591.085 7.073 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000053340192 554343780 /nfs/dbraw/zinc/34/37/80/554343780.db2.gz HDNDGWQOVSGFGA-BSEYFRJRSA-N -1 0 544.560 5.328 50 30 KKEARM C/C(=N\n1cc(-c2ccccc2)nc1/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1 ZINC000100477321 554401122 /nfs/dbraw/zinc/40/11/22/554401122.db2.gz MMQUHDZNGUPWCL-WHRAKHKCSA-N -1 0 538.243 6.804 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1[O-] ZINC000059626439 554414818 /nfs/dbraw/zinc/41/48/18/554414818.db2.gz CEKMQVFCXGHDIJ-OLRZCDJHSA-N -1 0 531.565 5.696 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccnc2)cc1 ZINC000100675300 554443717 /nfs/dbraw/zinc/44/37/17/554443717.db2.gz INMBTTKBVDBUSQ-HSZRJFAPSA-N -1 0 549.649 5.621 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677712 554444702 /nfs/dbraw/zinc/44/47/02/554444702.db2.gz XHADWXOAZSAOOK-RUZDIDTESA-N -1 0 596.677 6.436 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679532 554445710 /nfs/dbraw/zinc/44/57/10/554445710.db2.gz MHCVFDXCDPVPMU-XMMPIXPASA-N -1 0 562.644 5.683 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100680344 554446343 /nfs/dbraw/zinc/44/63/43/554446343.db2.gz LINODXZUMKVKKP-QHCPKHFHSA-N -1 0 601.508 7.063 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100680276 554446367 /nfs/dbraw/zinc/44/63/67/554446367.db2.gz JFXWOLRYZGRNCK-JOCHJYFZSA-N -1 0 599.503 6.353 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)cc2)nc1C ZINC000100680362 554446439 /nfs/dbraw/zinc/44/64/39/554446439.db2.gz QVPOHYXASYVVJH-SANMLTNESA-N -1 0 590.698 6.545 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccccc2)nc1C ZINC000100681002 554446875 /nfs/dbraw/zinc/44/68/75/554446875.db2.gz OSPOFSSSJOXANJ-HSZRJFAPSA-N -1 0 532.618 5.756 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100681459 554447885 /nfs/dbraw/zinc/44/78/85/554447885.db2.gz AAEYXLFITXASEB-JOCHJYFZSA-N -1 0 554.596 5.266 50 30 KKEARM CCCCCCCCCCCCCCCCCCNC(=O)c1cc(OCCSCC(=O)[O-])c2ccccc2c1O ZINC000100725403 554456682 /nfs/dbraw/zinc/45/66/82/554456682.db2.gz LYBKSADJDRQGLT-UHFFFAOYSA-N -1 0 573.840 8.733 50 30 KKEARM C=CCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2)cc1OC ZINC000066112476 554528431 /nfs/dbraw/zinc/52/84/31/554528431.db2.gz YUERMIPTWKEQBE-STZFKDTASA-N -1 0 580.378 5.397 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2C(=O)[O-])[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000101022282 554561946 /nfs/dbraw/zinc/56/19/46/554561946.db2.gz ORTKKAYEMJJAGB-PLTNMMHCSA-N -1 0 625.678 5.880 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000101062494 554570675 /nfs/dbraw/zinc/57/06/75/554570675.db2.gz KEBDVNFCQQRJRR-YDJIHCHBSA-N -1 0 526.343 5.269 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000101069821 554574411 /nfs/dbraw/zinc/57/44/11/554574411.db2.gz POZKHLZQVTVRCU-NHFXJNLRSA-N -1 0 536.731 6.748 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101072961 554576521 /nfs/dbraw/zinc/57/65/21/554576521.db2.gz UKCVADHUNBKUIP-YDJIHCHBSA-N -1 0 560.242 6.123 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000101072858 554576586 /nfs/dbraw/zinc/57/65/86/554576586.db2.gz QQPQCVBIGSNWQX-MOBKVPTQSA-N -1 0 583.847 6.110 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100194 554586791 /nfs/dbraw/zinc/58/67/91/554586791.db2.gz BWYIXYJQEJJSKB-IAMBOQNYSA-N -1 0 553.865 6.955 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101100184 554586807 /nfs/dbraw/zinc/58/68/07/554586807.db2.gz MYUZHLVCPZNIHK-MRJHHRETSA-N -1 0 523.383 6.133 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101100623 554587688 /nfs/dbraw/zinc/58/76/88/554587688.db2.gz DDZZJEUQKSTBJO-SSOJOUAXSA-N -1 0 560.473 6.661 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000101278040 554704503 /nfs/dbraw/zinc/70/45/03/554704503.db2.gz KCIPDPATWKRDNT-ONQGDUAMSA-N -1 0 596.661 6.014 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000101278223 554704851 /nfs/dbraw/zinc/70/48/51/554704851.db2.gz LJXBQFNXDZLCPG-CTVAMRBASA-N -1 0 551.020 5.397 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101293992 554710658 /nfs/dbraw/zinc/71/06/58/554710658.db2.gz VMRHOCTWBOIHMY-AYWGPLOBSA-N -1 0 504.514 5.766 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316856 554723891 /nfs/dbraw/zinc/72/38/91/554723891.db2.gz PPUMWZZHRBONIC-JVJOXMINSA-N -1 0 615.708 6.484 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316859 554723904 /nfs/dbraw/zinc/72/39/04/554723904.db2.gz PPUMWZZHRBONIC-ROBPHKHBSA-N -1 0 615.708 6.484 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316901 554724148 /nfs/dbraw/zinc/72/41/48/554724148.db2.gz PXEHBELKMCGSNM-CZNAVJSXSA-N -1 0 599.690 5.793 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338218 554734794 /nfs/dbraw/zinc/73/47/94/554734794.db2.gz JNSMYSZVJDIXKA-HSZRJFAPSA-N -1 0 610.088 6.501 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000101338211 554734809 /nfs/dbraw/zinc/73/48/09/554734809.db2.gz AVUWZWUCBUYJMI-DEOSSOPVSA-N -1 0 595.121 6.780 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000101344368 554736659 /nfs/dbraw/zinc/73/66/59/554736659.db2.gz OUQVXBRTINMHGV-MHZLTWQESA-N -1 0 597.693 7.223 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4[N+](=O)[O-])c3=O)n2)cc1 ZINC000101392338 554756013 /nfs/dbraw/zinc/75/60/13/554756013.db2.gz LLWLUWBGOGFKBX-NFFVHWSESA-N -1 0 527.522 5.154 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Br)cc4)c3=O)n2)cc1 ZINC000101424677 554768019 /nfs/dbraw/zinc/76/80/19/554768019.db2.gz CXPOOBHSSGDFCG-FAJYDZGRSA-N -1 0 577.420 5.708 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C(C)=O)cc4)c3=O)n2)cc1 ZINC000101483940 554785060 /nfs/dbraw/zinc/78/50/60/554785060.db2.gz UFQZMQTXZPKARP-JVCXMKTPSA-N -1 0 540.561 5.149 50 30 KKEARM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)[O-])C4=O)C3=O ZINC000101658547 554820259 /nfs/dbraw/zinc/82/02/59/554820259.db2.gz GEZHEQNLKAOMCA-GXSDCXQCSA-N -1 0 628.762 7.239 50 30 biogenic,in-vitro KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052349 554871608 /nfs/dbraw/zinc/87/16/08/554871608.db2.gz WJESBEDJMDTQHC-GPNASLBKSA-N -1 0 587.701 7.478 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052364 554871643 /nfs/dbraw/zinc/87/16/43/554871643.db2.gz WJESBEDJMDTQHC-BNHRFMORSA-N -1 0 587.701 7.478 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052400 554871648 /nfs/dbraw/zinc/87/16/48/554871648.db2.gz NDHSEQCYZFUFDA-NRUKRWIHSA-N -1 0 587.701 7.478 50 30 KKEARM COc1cc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1OC ZINC000102052523 554871676 /nfs/dbraw/zinc/87/16/76/554871676.db2.gz YFHKWXPFSVTGQS-CBZJRKILSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc(OC)c([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000102052497 554871678 /nfs/dbraw/zinc/87/16/78/554871678.db2.gz UGTTVQPTNRRVAO-UULLZXFKSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OCc1ccccc1 ZINC000102052550 554871936 /nfs/dbraw/zinc/87/19/36/554871936.db2.gz YCMZMMLDUXLBBH-RBBQXQBVSA-N -1 0 617.727 7.486 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053258 554872073 /nfs/dbraw/zinc/87/20/73/554872073.db2.gz FSQSSNCTLZBQKY-UVDDSOTQSA-N -1 0 573.674 7.691 50 30 KKEARM COc1ccc(OC)c([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000102052920 554872139 /nfs/dbraw/zinc/87/21/39/554872139.db2.gz GFMFWUBMRFOKIA-CRYYWNKWSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053725 554872389 /nfs/dbraw/zinc/87/23/89/554872389.db2.gz YQMQZBOKGPDFSC-ODCWNRFASA-N -1 0 550.467 7.205 50 30 KKEARM COc1ccc(CC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000102064082 554873370 /nfs/dbraw/zinc/87/33/70/554873370.db2.gz TXACUVMKEOMBJO-UHFFFAOYSA-N -1 0 579.275 6.066 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076828 554875070 /nfs/dbraw/zinc/87/50/70/554875070.db2.gz XVNNAILFQOPKEZ-UUALVTFQSA-N -1 0 591.085 6.772 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076804 554875131 /nfs/dbraw/zinc/87/51/31/554875131.db2.gz RZOFFHVNBCATOK-NPJIAGGLSA-N -1 0 562.644 5.477 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078889 554875509 /nfs/dbraw/zinc/87/55/09/554875509.db2.gz IQDFFUDBVHJKCP-MNOIWJKESA-N -1 0 627.788 7.205 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078898 554875521 /nfs/dbraw/zinc/87/55/21/554875521.db2.gz IQDFFUDBVHJKCP-YJMWBXFMSA-N -1 0 627.788 7.205 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078903 554875734 /nfs/dbraw/zinc/87/57/34/554875734.db2.gz UYIOENBYOWBUCM-DFXXOVSGSA-N -1 0 629.760 6.653 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102491314 554939310 /nfs/dbraw/zinc/93/93/10/554939310.db2.gz HSYXSTMMMXKYOU-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102492892 554939711 /nfs/dbraw/zinc/93/97/11/554939711.db2.gz NFGPANVWQHVKPP-HOGKFDNTSA-N -1 0 506.967 5.593 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102508218 554945439 /nfs/dbraw/zinc/94/54/39/554945439.db2.gz CYUWKBPFYFUADM-MOBKVPTQSA-N -1 0 508.502 5.218 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102508627 554945680 /nfs/dbraw/zinc/94/56/80/554945680.db2.gz IIWBMUDXATWXES-MRJHHRETSA-N -1 0 508.502 5.218 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102513491 554947022 /nfs/dbraw/zinc/94/70/22/554947022.db2.gz JUGUHHYKGFZWMS-NHFXJNLRSA-N -1 0 526.998 5.225 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102538604 554956591 /nfs/dbraw/zinc/95/65/91/554956591.db2.gz HQZUPFCNRJSYNK-MOBKVPTQSA-N -1 0 520.538 5.088 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102539799 554957108 /nfs/dbraw/zinc/95/71/08/554957108.db2.gz SUBHSHGZFYTVOM-RXDXAXPSSA-N -1 0 526.658 7.062 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102542938 554958135 /nfs/dbraw/zinc/95/81/35/554958135.db2.gz RAWMHLHISZAYLH-NXLSWJSLSA-N -1 0 551.020 5.992 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102542928 554958179 /nfs/dbraw/zinc/95/81/79/554958179.db2.gz RAWMHLHISZAYLH-SBXHHDGASA-N -1 0 551.020 5.992 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102546653 554959304 /nfs/dbraw/zinc/95/93/04/554959304.db2.gz PGLWOUMMOXGRTE-FWOIGAHVSA-N -1 0 581.477 6.952 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102546859 554959676 /nfs/dbraw/zinc/95/96/76/554959676.db2.gz LVOZOFLAAJFTJN-OGHRCCBNSA-N -1 0 589.670 5.928 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102547436 554959979 /nfs/dbraw/zinc/95/99/79/554959979.db2.gz CECIJFWGVKLNEO-CZNAVJSXSA-N -1 0 526.614 6.056 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102548916 554960566 /nfs/dbraw/zinc/96/05/66/554960566.db2.gz ABRLQZFVXMEBCH-KYWXLPDZSA-N -1 0 565.420 6.148 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102559847 554967213 /nfs/dbraw/zinc/96/72/13/554967213.db2.gz ITVQGEYQNUMPBG-IOUQRVAPSA-N -1 0 585.707 6.097 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102560387 554967570 /nfs/dbraw/zinc/96/75/70/554967570.db2.gz GKNBULDDKPQHPM-QMMFTLRZSA-N -1 0 630.719 6.526 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102575851 554971486 /nfs/dbraw/zinc/97/14/86/554971486.db2.gz RKHMZLNNNWTEFP-AIKCTZLLSA-N -1 0 594.089 6.573 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102576332 554971809 /nfs/dbraw/zinc/97/18/09/554971809.db2.gz AKIIVLULWONQOS-IUKMQXEJSA-N -1 0 578.643 5.239 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102581646 554972722 /nfs/dbraw/zinc/97/27/22/554972722.db2.gz JATYWBOHUUMXBR-YDJIHCHBSA-N -1 0 513.384 5.148 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000102596671 554977138 /nfs/dbraw/zinc/97/71/38/554977138.db2.gz GUXQUNIZHZYFBE-CJJGVWJISA-N -1 0 592.670 5.629 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102599285 554977408 /nfs/dbraw/zinc/97/74/08/554977408.db2.gz WIIYLGYALSDKOO-AYWGPLOBSA-N -1 0 596.061 6.020 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102610470 554980766 /nfs/dbraw/zinc/98/07/66/554980766.db2.gz BSFPEMHCEMBYLB-UUALVTFQSA-N -1 0 615.733 6.325 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102622196 554987474 /nfs/dbraw/zinc/98/74/74/554987474.db2.gz GQMSSHKTLODGCW-ZHHPLPSFSA-N -1 0 577.615 5.073 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102623008 554987639 /nfs/dbraw/zinc/98/76/39/554987639.db2.gz GNWMSTQDUWAUQN-ONQGDUAMSA-N -1 0 611.676 6.520 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102626849 554988207 /nfs/dbraw/zinc/98/82/07/554988207.db2.gz KADWAWDAJPMILK-XYGUOAIHSA-N -1 0 611.445 5.862 50 30 KKEARM O=C(Nc1ccccc1)C(=O)Nc1c(Cl)ncnc1Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1 ZINC000102633553 554990214 /nfs/dbraw/zinc/99/02/14/554990214.db2.gz OFDRKOLUPCVBEK-KVSWJAHQSA-N -1 0 610.812 5.578 50 30 KKEARM N#Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102644207 554991431 /nfs/dbraw/zinc/99/14/31/554991431.db2.gz TVLIYEYNSIXSEB-DFXYEROKSA-N -1 0 509.537 6.112 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102653554 554997139 /nfs/dbraw/zinc/99/71/39/554997139.db2.gz VLOMKZGINBDUQG-CJJGVWJISA-N -1 0 600.649 5.466 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102653736 554997393 /nfs/dbraw/zinc/99/73/93/554997393.db2.gz KCGQOJOZVAIBLA-BBHOXHGRSA-N -1 0 610.544 7.087 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655893 554998727 /nfs/dbraw/zinc/99/87/27/554998727.db2.gz PJNJRJMWNLPGHS-GRBPGWBESA-N -1 0 619.139 7.333 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102675396 555003746 /nfs/dbraw/zinc/00/37/46/555003746.db2.gz QXAIZQWVOSSERS-BBHOXHGRSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102679218 555004783 /nfs/dbraw/zinc/00/47/83/555004783.db2.gz MPHNXZIRBAMDLZ-HALAOQOWSA-N -1 0 575.643 5.625 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102693999 555009573 /nfs/dbraw/zinc/00/95/73/555009573.db2.gz HUYQVKHYDUMYNB-NHFXJNLRSA-N -1 0 509.381 5.841 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102710752 555016437 /nfs/dbraw/zinc/01/64/37/555016437.db2.gz ODHRLFOLMJIUEQ-JBCNATCCSA-N -1 0 523.408 6.149 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102717146 555019290 /nfs/dbraw/zinc/01/92/90/555019290.db2.gz RCBYLTDSNHMKCM-NHFXJNLRSA-N -1 0 525.449 6.309 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102730834 555023500 /nfs/dbraw/zinc/02/35/00/555023500.db2.gz KOSGXLGFYKICPH-CZNAVJSXSA-N -1 0 512.631 6.581 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102730939 555023788 /nfs/dbraw/zinc/02/37/88/555023788.db2.gz QSMOCYHTNLDBMO-YDJIHCHBSA-N -1 0 509.381 5.841 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102734704 555024990 /nfs/dbraw/zinc/02/49/90/555024990.db2.gz IPJMHXLPKUYXJD-ZHHPLPSFSA-N -1 0 531.546 5.156 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736930 555026381 /nfs/dbraw/zinc/02/63/81/555026381.db2.gz FGDSXLUFVPIPLJ-FECHNCLXSA-N -1 0 547.976 5.808 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736939 555026465 /nfs/dbraw/zinc/02/64/65/555026465.db2.gz CSORDWJNGNFVGM-FECHNCLXSA-N -1 0 531.521 5.293 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000102771546 555060559 /nfs/dbraw/zinc/06/05/59/555060559.db2.gz NOBWSQFCHBHUCV-HDTBSZCESA-N -1 0 509.008 5.961 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858557 555089431 /nfs/dbraw/zinc/08/94/31/555089431.db2.gz YMBNEOINHJREEW-NXLSWJSLSA-N -1 0 564.591 5.486 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102858550 555089449 /nfs/dbraw/zinc/08/94/49/555089449.db2.gz NZKNQAABLQTMOG-JBCNATCCSA-N -1 0 524.570 5.182 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102861548 555091488 /nfs/dbraw/zinc/09/14/88/555091488.db2.gz ILLKLCBEFJWBTQ-MRJHHRETSA-N -1 0 522.941 5.502 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102865125 555094912 /nfs/dbraw/zinc/09/49/12/555094912.db2.gz HAZKIRBYKNWTHQ-MOBKVPTQSA-N -1 0 506.967 5.593 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102866550 555095768 /nfs/dbraw/zinc/09/57/68/555095768.db2.gz KDEAEOWSAUDZPZ-SELCWUDQSA-N -1 0 527.396 5.017 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869505 555098888 /nfs/dbraw/zinc/09/88/88/555098888.db2.gz VJHROUKXINXEAE-YREDKMEYSA-N -1 0 613.761 6.959 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102869677 555099474 /nfs/dbraw/zinc/09/94/74/555099474.db2.gz WKBVHZAVEIJZDT-GMBUILNLSA-N -1 0 577.456 6.017 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102869680 555099486 /nfs/dbraw/zinc/09/94/86/555099486.db2.gz WKBVHZAVEIJZDT-WGQAXHKASA-N -1 0 577.456 6.017 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102870020 555099689 /nfs/dbraw/zinc/09/96/89/555099689.db2.gz RABNQCANCXSBRS-JRPVAJNPSA-N -1 0 591.483 6.407 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102870011 555099716 /nfs/dbraw/zinc/09/97/16/555099716.db2.gz RABNQCANCXSBRS-HAQIDCBSSA-N -1 0 591.483 6.407 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102872751 555103153 /nfs/dbraw/zinc/10/31/53/555103153.db2.gz XPBLJQYQKAZHAE-SBXHHDGASA-N -1 0 534.565 5.478 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102880013 555108900 /nfs/dbraw/zinc/10/89/00/555108900.db2.gz XXVXMAIWSWJSPK-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000102882457 555110838 /nfs/dbraw/zinc/11/08/38/555110838.db2.gz OGJKMBVYOSHSCJ-IUKMQXEJSA-N -1 0 536.422 5.405 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102882908 555111438 /nfs/dbraw/zinc/11/14/38/555111438.db2.gz QPUGTNJIYCUKMK-AYWGPLOBSA-N -1 0 520.538 5.088 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883967 555112594 /nfs/dbraw/zinc/11/25/94/555112594.db2.gz CVMXMKXZPBYRQR-ZHHPLPSFSA-N -1 0 569.422 6.009 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884346 555113162 /nfs/dbraw/zinc/11/31/62/555113162.db2.gz CDONGKQZFJKPBD-QNIVJUIWSA-N -1 0 606.125 6.442 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102886829 555117580 /nfs/dbraw/zinc/11/75/80/555117580.db2.gz RIECCSSGYSHMBL-WGGXKBPPSA-N -1 0 616.692 6.136 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887429 555119284 /nfs/dbraw/zinc/11/92/84/555119284.db2.gz SQBOGJXESIFOPF-WNQPQFFOSA-N -1 0 606.697 5.765 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887356 555119294 /nfs/dbraw/zinc/11/92/94/555119294.db2.gz MXSGMNPGGXBBAC-WYNCGZBVSA-N -1 0 629.760 6.578 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887437 555119302 /nfs/dbraw/zinc/11/93/02/555119302.db2.gz SQBOGJXESIFOPF-AMKIGSDESA-N -1 0 606.697 5.765 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887783 555120120 /nfs/dbraw/zinc/12/01/20/555120120.db2.gz SEEXHYXBJFGPBG-FSDXSRJSSA-N -1 0 617.680 5.706 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102888061 555120839 /nfs/dbraw/zinc/12/08/39/555120839.db2.gz LQPONVLMFCMRNH-HOGKFDNTSA-N -1 0 522.941 5.486 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888850 555122491 /nfs/dbraw/zinc/12/24/91/555122491.db2.gz OTRCYTZUMXLPFG-HAQIDCBSSA-N -1 0 547.032 6.298 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102891354 555127120 /nfs/dbraw/zinc/12/71/20/555127120.db2.gz KUPSLWUMVLRKBJ-SBXHHDGASA-N -1 0 583.449 6.399 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891997 555128187 /nfs/dbraw/zinc/12/81/87/555128187.db2.gz IVCUMHFCTVAFEW-WGQAXHKASA-N -1 0 533.005 5.908 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892276 555128457 /nfs/dbraw/zinc/12/84/57/555128457.db2.gz VJEJGLSBEGLNGA-FWOIGAHVSA-N -1 0 593.057 5.925 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893627 555131264 /nfs/dbraw/zinc/13/12/64/555131264.db2.gz HBLHPJWNWZFGQP-UUALVTFQSA-N -1 0 588.638 5.500 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102898139 555138232 /nfs/dbraw/zinc/13/82/32/555138232.db2.gz LSBACRVIMTVQHE-CZNAVJSXSA-N -1 0 520.582 5.442 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102930827 555157993 /nfs/dbraw/zinc/15/79/93/555157993.db2.gz JQASGVCHFAMTIU-NXLSWJSLSA-N -1 0 532.021 6.014 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102930847 555158106 /nfs/dbraw/zinc/15/81/06/555158106.db2.gz ZJLSAINQNGEGIU-VFJWVMJUSA-N -1 0 506.898 5.051 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102935207 555162480 /nfs/dbraw/zinc/16/24/80/555162480.db2.gz UHKBEPRQMGRAAM-NHFXJNLRSA-N -1 0 515.791 6.014 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937662 555165634 /nfs/dbraw/zinc/16/56/34/555165634.db2.gz DLNQMQIWCHMUFB-VWLOTQADSA-N -1 0 621.649 5.080 50 30 KKEARM Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNCc1cccnc1)C(=O)C(=O)C3C(C)C)C(=CNCc1cccnc1)C(=O)C(=O)C2C(C)C ZINC000150341524 565200007 /nfs/dbraw/zinc/20/00/07/565200007.db2.gz DJHCDIWLAHHXHW-NAZWXXJZSA-N -1 0 698.820 7.449 50 30 biogenic,in-vitro KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000103929043 571370150 /nfs/dbraw/zinc/37/01/50/571370150.db2.gz GYUDLXVMAZJHKC-CZNAVJSXSA-N -1 0 584.650 6.364 50 30 KKEARM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@]45CCCC[C@H]4[C@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000105295368 571392578 /nfs/dbraw/zinc/39/25/78/571392578.db2.gz JWJQKUXXLPEPJD-OUFPPPIKSA-N -1 0 511.625 7.393 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1nc(-c3ccc(N(C)C)cc3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000105558205 571407536 /nfs/dbraw/zinc/40/75/36/571407536.db2.gz LOCPQVWYSLKLHK-HXUWFJFHSA-N -1 0 565.721 5.001 50 30 KKEARM CN(C)c1ccc(C(=NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000105603939 571407842 /nfs/dbraw/zinc/40/78/42/571407842.db2.gz IKQYAUHHEBXJQZ-UHFFFAOYSA-N -1 0 532.691 5.359 50 30 KKEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)cc1OC ZINC000108451036 571425504 /nfs/dbraw/zinc/42/55/04/571425504.db2.gz OOILVXIFJPWHBA-IBGZPJMESA-N -1 0 532.545 5.235 50 30 biogenic KKEARM CC(C)CC(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000150339255 571457327 /nfs/dbraw/zinc/45/73/27/571457327.db2.gz FLMMHDDOOIGEPG-YTTGMZPUSA-N -1 0 666.771 6.782 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344360 571459269 /nfs/dbraw/zinc/45/92/69/571459269.db2.gz IJDRCJGYWUCJTR-REXQBJLCSA-N -1 0 828.109 8.619 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 ZINC000150348682 571461270 /nfs/dbraw/zinc/46/12/70/571461270.db2.gz WCESTEALZZAUMG-LNMUSBCZSA-N -1 0 619.181 7.382 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)NCCOc1ccccc1 ZINC000150363657 571464317 /nfs/dbraw/zinc/46/43/17/571464317.db2.gz ABVJWRSZUUTOAP-XODNFHPESA-N -1 0 715.376 6.249 50 30 KKEARM CCCCCCCCOc1ccc(Nc2cc([N-]c3ccccc3/N=C/c3c(O)ccc4ccccc43)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000150399516 571477720 /nfs/dbraw/zinc/47/77/20/571477720.db2.gz VOYFLIZRLADAMC-XPGZBYHPSA-N -1 0 647.732 10.339 50 30 KKEARM C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000150407624 571480140 /nfs/dbraw/zinc/48/01/40/571480140.db2.gz UKJZRPJNMDGAET-UHFFFAOYSA-N -1 0 683.252 6.629 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417253 571486075 /nfs/dbraw/zinc/48/60/75/571486075.db2.gz QXIKCNIHSRXFPB-DFXXOVSGSA-N -1 0 645.759 6.334 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424785 571489325 /nfs/dbraw/zinc/48/93/25/571489325.db2.gz CTAWVJVNFGXURT-VEZPTTSMSA-N -1 0 742.703 8.358 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424778 571489347 /nfs/dbraw/zinc/48/93/47/571489347.db2.gz GBPUHCCXKPGCJX-SMOAUKQDSA-N -1 0 740.731 8.911 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424764 571489365 /nfs/dbraw/zinc/48/93/65/571489365.db2.gz GBPUHCCXKPGCJX-YSJQHINGSA-N -1 0 740.731 8.911 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426795 571491110 /nfs/dbraw/zinc/49/11/10/571491110.db2.gz GOCQOEBYHGTZJY-QNIVJUIWSA-N -1 0 634.135 6.220 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150427654 571491793 /nfs/dbraw/zinc/49/17/93/571491793.db2.gz QSUZWZDAXVEFJU-WGGXKBPPSA-N -1 0 642.730 6.549 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150432485 571494363 /nfs/dbraw/zinc/49/43/63/571494363.db2.gz JWKYSSGLNKEAQT-VWLOTQADSA-N -1 0 624.096 6.444 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000150433128 571494464 /nfs/dbraw/zinc/49/44/64/571494464.db2.gz HBVCTDUPFCMFRJ-HSZRJFAPSA-N -1 0 630.487 6.282 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000150435340 571495264 /nfs/dbraw/zinc/49/52/64/571495264.db2.gz HKPVEOLRDSIAQY-PMERELPUSA-N -1 0 640.758 8.018 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150435207 571495279 /nfs/dbraw/zinc/49/52/79/571495279.db2.gz OONYXFYLFHRRNU-CJJGVWJISA-N -1 0 654.597 7.658 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435510 571495455 /nfs/dbraw/zinc/49/54/55/571495455.db2.gz DAGLJGLTWUUADW-JOZOHXTNSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435582 571495477 /nfs/dbraw/zinc/49/54/77/571495477.db2.gz ZZILABCOXMIXAC-CBOKBIJUSA-N -1 0 760.721 9.065 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435518 571495568 /nfs/dbraw/zinc/49/55/68/571495568.db2.gz DAGLJGLTWUUADW-QCRSBAEDSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435556 571495600 /nfs/dbraw/zinc/49/56/00/571495600.db2.gz LOSQQCCTQRVVIX-QCRSBAEDSA-N -1 0 709.821 7.897 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439741 571497665 /nfs/dbraw/zinc/49/76/65/571497665.db2.gz OGQOSLZHSITRKY-KFLIVHAJSA-N -1 0 693.803 7.206 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439718 571497709 /nfs/dbraw/zinc/49/77/09/571497709.db2.gz UCYRZWYTLNYIBE-ANBMCXBTSA-N -1 0 691.831 7.758 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150441386 571498430 /nfs/dbraw/zinc/49/84/30/571498430.db2.gz MBTWBXNHEUVLFF-DFXYEROKSA-N -1 0 652.969 7.191 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc(Br)c1O ZINC000150441380 571498446 /nfs/dbraw/zinc/49/84/46/571498446.db2.gz MBTWBXNHEUVLFF-URAOTHONSA-N -1 0 652.969 7.191 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445201 571500143 /nfs/dbraw/zinc/50/01/43/571500143.db2.gz FFRKMZWTZWKYLW-WAUVLBAPSA-N -1 0 629.485 5.055 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445794 571500691 /nfs/dbraw/zinc/50/06/91/571500691.db2.gz JETAQCNSEVDWLS-QBCYBHDASA-N -1 0 662.233 7.858 50 30 KKEARM C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1 ZINC000150452703 571503424 /nfs/dbraw/zinc/50/34/24/571503424.db2.gz FAXRQJKVHHXOAI-UHFFFAOYSA-N -1 0 691.025 6.546 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457524 571504863 /nfs/dbraw/zinc/50/48/63/571504863.db2.gz NRFLOGLIMJYIIX-DNNDWWBDSA-N -1 0 645.778 7.488 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457520 571505036 /nfs/dbraw/zinc/50/50/36/571505036.db2.gz NRFLOGLIMJYIIX-VXJPNWOUSA-N -1 0 645.778 7.488 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457457 571505057 /nfs/dbraw/zinc/50/50/57/571505057.db2.gz VNVYFURFWXKENR-UGQRDJPYSA-N -1 0 677.848 8.358 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458481 571505521 /nfs/dbraw/zinc/50/55/21/571505521.db2.gz NCJXTFSZHJPPNU-UGQRDJPYSA-N -1 0 677.848 8.502 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459199 571505684 /nfs/dbraw/zinc/50/56/84/571505684.db2.gz HGKKTZNKTYTPJK-FZIYRNTBSA-N -1 0 634.179 7.222 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000150459743 571505854 /nfs/dbraw/zinc/50/58/54/571505854.db2.gz FAOJREGVWPWXOA-DFXXOVSGSA-N -1 0 648.734 6.160 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460504 571506063 /nfs/dbraw/zinc/50/60/63/571506063.db2.gz XUHBUAZGIZRTQC-XYGUOAIHSA-N -1 0 627.900 6.376 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460461 571506076 /nfs/dbraw/zinc/50/60/76/571506076.db2.gz ALQKXVGNBJDBLA-HYVCFMKYSA-N -1 0 661.777 7.107 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460650 571506102 /nfs/dbraw/zinc/50/61/02/571506102.db2.gz LXHVFFQYHQIHKY-PSPOUMMOSA-N -1 0 707.874 8.511 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460521 571506191 /nfs/dbraw/zinc/50/61/91/571506191.db2.gz XUHBUAZGIZRTQC-RSERVXPISA-N -1 0 627.900 6.376 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461437 571506364 /nfs/dbraw/zinc/50/63/64/571506364.db2.gz NWBXBFHSXWCVNY-WYNCGZBVSA-N -1 0 631.751 7.098 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461046 571506374 /nfs/dbraw/zinc/50/63/74/571506374.db2.gz DYYSCCKMEOSIMP-NNZNMFTDSA-N -1 0 649.794 7.722 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463337 571506892 /nfs/dbraw/zinc/50/68/92/571506892.db2.gz JRXFWVPVMBRSDX-LHRXRZTBSA-N -1 0 641.496 5.221 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463173 571506981 /nfs/dbraw/zinc/50/69/81/571506981.db2.gz IDKBOMZMDYJKGY-QBCYBHDASA-N -1 0 662.233 7.858 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462875 571507033 /nfs/dbraw/zinc/50/70/33/571507033.db2.gz ZVYZBUBZZSZXNM-QMNXYOJKSA-N -1 0 675.804 7.497 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463170 571507058 /nfs/dbraw/zinc/50/70/58/571507058.db2.gz IDKBOMZMDYJKGY-VXJPNWOUSA-N -1 0 662.233 7.858 50 30 KKEARM O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc2c1-c1c(cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc1[N+](=O)[O-])C2=N[O-] ZINC000150463508 571507256 /nfs/dbraw/zinc/50/72/56/571507256.db2.gz MZISUJYKDZYSMI-UHFFFAOYSA-N -1 0 803.875 7.492 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463515 571507323 /nfs/dbraw/zinc/50/73/23/571507323.db2.gz KLHFHAIGLXADFB-DNNDWWBDSA-N -1 0 645.778 7.344 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464431 571507633 /nfs/dbraw/zinc/50/76/33/571507633.db2.gz UIGXRKOXTLMZAE-NYFCFKJUSA-N -1 0 712.677 8.274 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466144 571507919 /nfs/dbraw/zinc/50/79/19/571507919.db2.gz MXAJRSUWDWHJCK-QJGFIUGVSA-N -1 0 645.778 7.488 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467504 571508091 /nfs/dbraw/zinc/50/80/91/571508091.db2.gz JKMPBZDLKOXVGM-CJJGVWJISA-N -1 0 668.580 7.100 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000150472709 571510180 /nfs/dbraw/zinc/51/01/80/571510180.db2.gz JVGWSARPEKHLOS-FSISNWKMSA-N -1 0 628.534 7.226 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150476828 571511029 /nfs/dbraw/zinc/51/10/29/571511029.db2.gz RFWJPSNBOKFQGD-DFXXOVSGSA-N -1 0 664.205 7.306 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481234 571512458 /nfs/dbraw/zinc/51/24/58/571512458.db2.gz KQLDPVDQRDSSCP-DFXXOVSGSA-N -1 0 698.650 8.104 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150486545 571516388 /nfs/dbraw/zinc/51/63/88/571516388.db2.gz MMGBAGCJGIQDKJ-CZNAVJSXSA-N -1 0 636.151 6.670 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000169795617 571560762 /nfs/dbraw/zinc/56/07/62/571560762.db2.gz WGZYEJQZCIIECH-MDZRLIFHSA-N -1 0 662.089 6.781 50 30 KKEARM COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C1=O)cn2C ZINC000263585188 572117051 /nfs/dbraw/zinc/11/70/51/572117051.db2.gz GBCRMNUJRPJQAB-NUVFXGIKSA-N -1 0 561.546 6.202 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000239302887 572193251 /nfs/dbraw/zinc/19/32/51/572193251.db2.gz FTQDJVZNPJRVPG-LWJKXKGZSA-N -1 0 512.731 6.983 50 30 KKEARM Cc1ccc([C@H]2[C@@H](C(=O)c3cccc4ccccc43)[C@@](O)(c3cccc4ccccc43)C[C@@H](c3ccc(C)cc3)[C@@]2(C#N)C(=O)[O-])cc1 ZINC000248117343 572253918 /nfs/dbraw/zinc/25/39/18/572253918.db2.gz VSLMFSVQEOOJIV-APXVTDHQSA-N -1 0 629.756 8.862 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000252441256 572260940 /nfs/dbraw/zinc/26/09/40/572260940.db2.gz MISRCEKKHJVMIX-GMAARIHDSA-N -1 0 574.718 5.504 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)SC2=Nc2ccccc2)cc1 ZINC000252590594 572266696 /nfs/dbraw/zinc/26/66/96/572266696.db2.gz ATPIUDAJKRKSEQ-JWMGBEPHSA-N -1 0 524.558 5.888 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1 ZINC000252596025 572267010 /nfs/dbraw/zinc/26/70/10/572267010.db2.gz CFRMIGIWVXKLBA-UHFFFAOYSA-N -1 0 550.522 6.265 50 30 KKEARM Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=Nc4ccccc4)N(Cc4ccc(C(=O)[O-])cc4)C3=O)cc2Br)cc1 ZINC000252606633 572267942 /nfs/dbraw/zinc/26/79/42/572267942.db2.gz GTXQCNZSFMDBHO-GQVJZYOQSA-N -1 0 656.558 7.277 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)SC2=Nc2ccccc2)cc1 ZINC000252611301 572268278 /nfs/dbraw/zinc/26/82/78/572268278.db2.gz IIUVXFLRRUATPU-JGEWFJSUSA-N -1 0 604.438 7.120 50 30 KKEARM O=C(CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)N1CCOCC1 ZINC000252616632 572268701 /nfs/dbraw/zinc/26/87/01/572268701.db2.gz KCIUNFGJJYPVGL-UHFFFAOYSA-N -1 0 571.316 5.228 50 30 KKEARM Cc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000252621813 572269577 /nfs/dbraw/zinc/26/95/77/572269577.db2.gz NHEXVYFGQSOYBR-SAWHOTNESA-N -1 0 576.505 7.903 50 30 KKEARM Cc1ccccc1N=C1S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C(=O)N1c1ccccc1C ZINC000252622969 572269904 /nfs/dbraw/zinc/26/99/04/572269904.db2.gz OGUYPIFCAPACPI-LEIWJKCUSA-N -1 0 537.435 6.338 50 30 KKEARM Cc1ccc2oc(-c3ccc(N=Cc4cc(Br)cc(Br)c4[O-])cc3O)nc2c1 ZINC000252628794 572271010 /nfs/dbraw/zinc/27/10/10/572271010.db2.gz SYAFGPAMPAUXCG-UHFFFAOYSA-N -1 0 502.162 6.490 50 30 KKEARM COCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)SC1=Nc1ccccc1 ZINC000252630482 572271297 /nfs/dbraw/zinc/27/12/97/572271297.db2.gz VAMIKXKGEJPUIE-YCBRDWMHSA-N -1 0 614.461 5.819 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000252679933 572281431 /nfs/dbraw/zinc/28/14/31/572281431.db2.gz TXBSKHAJHWQOAB-UHFFFAOYSA-N -1 0 506.691 8.882 50 30 KKEARM C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@@H]1O ZINC000253487126 572290230 /nfs/dbraw/zinc/29/02/30/572290230.db2.gz FMRFCBBDHDGKKZ-IWWZKBTJSA-N -1 0 600.837 6.294 50 30 KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](Oc5ccccc5C(=O)[O-])CC[C@]43C)[C@@H]2C1 ZINC000253487539 572290668 /nfs/dbraw/zinc/29/06/68/572290668.db2.gz LNZWDWPFTHLSHQ-AWTZIMPLSA-N -1 0 604.828 8.286 50 30 KKEARM CC1(C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000253487742 572290802 /nfs/dbraw/zinc/29/08/02/572290802.db2.gz PFEQIEUTCKQPGL-KPRPCXSMSA-N -1 0 616.836 5.266 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253498577 572292716 /nfs/dbraw/zinc/29/27/16/572292716.db2.gz APYIVIUDKTVWSJ-BOWARCIDSA-N -1 0 548.724 5.902 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000253498801 572292861 /nfs/dbraw/zinc/29/28/61/572292861.db2.gz YSTHYYPRYHADNW-GJYQJMANSA-N -1 0 521.654 5.152 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253502065 572295306 /nfs/dbraw/zinc/29/53/06/572295306.db2.gz ZKLSMMQOZBNCNB-YIISRBHPSA-N -1 0 556.744 5.014 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253503476 572296068 /nfs/dbraw/zinc/29/60/68/572296068.db2.gz PYMRPIRPJGSGSS-IJCLDVQPSA-N -1 0 745.914 5.112 50 30 KKEARM COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253504159 572296482 /nfs/dbraw/zinc/29/64/82/572296482.db2.gz QEJFEIOBCOMMKR-QIYMVENDSA-N -1 0 609.720 5.041 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000253533435 572299417 /nfs/dbraw/zinc/29/94/17/572299417.db2.gz KQGBJEZYOYEOPW-MEDYVDKMSA-N -1 0 522.686 5.057 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533714 572299502 /nfs/dbraw/zinc/29/95/02/572299502.db2.gz QEJFEIOBCOMMKR-UAKNMCKCSA-N -1 0 609.720 5.041 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CON=C3C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]34)c2c1 ZINC000253533599 572299521 /nfs/dbraw/zinc/29/95/21/572299521.db2.gz OAYWHZMJOWQING-BSGYOONSSA-N -1 0 589.733 5.396 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533915 572299703 /nfs/dbraw/zinc/29/97/03/572299703.db2.gz UOROQCUKQLETSA-WBYRNNOOSA-N -1 0 577.722 5.072 50 30 KKEARM O=C(/C(=C\c1cc(Br)cc(Br)c1[O-])c1nc2ccccc2s1)c1ccccc1 ZINC000102945393 1070982474 /nfs/dbraw/zinc/98/24/74/1070982474.db2.gz ALSNOWCEDBEYMD-LFIBNONCSA-N -1 0 515.226 6.950 50 30 KKEARM O=C(/C=C\c1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1)c1ccc(C2CCCCC2)cc1 ZINC000033778439 1071202139 /nfs/dbraw/zinc/20/21/39/1071202139.db2.gz FPFGWASODAZYQR-LGMDPLHJSA-N -1 0 513.619 6.481 50 30 KKEARM Cc1cc([N-]S(=O)(=O)c2ccc(N3Cc4ccccc4C3=NC(=O)c3ccc(Cl)cc3Cl)cc2)no1 ZINC000003305896 1071342166 /nfs/dbraw/zinc/34/21/66/1071342166.db2.gz RXHCJCLXBNHVFS-UHFFFAOYSA-N -1 0 541.416 5.698 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(C2CCCCC2)cc1 ZINC000254306661 1072846763 /nfs/dbraw/zinc/84/67/63/1072846763.db2.gz AULPIWXBOOZXKM-UHFFFAOYSA-N -1 0 522.627 6.288 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(=O)n3cccc(C)c3nc2Nc2ccc(SC(F)F)cc2)cc1 ZINC000254485291 1072857714 /nfs/dbraw/zinc/85/77/14/1072857714.db2.gz PDROOUDBVKNANS-UHFFFAOYSA-N -1 0 681.703 6.225 50 30 KKEARM CCCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000254738350 1072873799 /nfs/dbraw/zinc/87/37/99/1072873799.db2.gz VUEVSNSXWMQNRO-UHFFFAOYSA-N -1 0 512.588 5.419 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)c([N+](=O)[O-])c1 ZINC000254740304 1072874322 /nfs/dbraw/zinc/87/43/22/1072874322.db2.gz ORTWJDVISHTBGZ-UHFFFAOYSA-N -1 0 548.606 5.226 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC001500977002 1072920172 /nfs/dbraw/zinc/92/01/72/1072920172.db2.gz FTQDJVZNPJRVPG-RWMRZSMZSA-N -1 0 512.731 6.983 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000000631134 551505064 /nfs/dbraw/zinc/50/50/64/551505064.db2.gz XSWXZQIPVGUTQQ-LJQANCHMSA-N -1 0 512.971 5.073 50 30 KKEARM COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000000718043 551535000 /nfs/dbraw/zinc/53/50/00/551535000.db2.gz MJPCQJZPUVXXEX-PRAQEBQASA-N -1 0 514.553 5.600 50 30 KKEARM CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000718108 551535039 /nfs/dbraw/zinc/53/50/39/551535039.db2.gz UGZFCRYLVXODPS-UKPGIYTDSA-N -1 0 544.051 6.171 50 30 KKEARM CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000728521 551538889 /nfs/dbraw/zinc/53/88/89/551538889.db2.gz RATGILKHGUOGSA-HRFSGMKKSA-N -1 0 502.567 5.538 50 30 KKEARM COc1ccc(-c2cnc(-n3[n-]c(C)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)s2)cc1 ZINC000000827881 551545565 /nfs/dbraw/zinc/54/55/65/551545565.db2.gz LHISBPNOHOGIMF-JOCHJYFZSA-N -1 0 520.412 5.576 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)c([O-])c(Br)c1 ZINC000000832954 551546596 /nfs/dbraw/zinc/54/65/96/551546596.db2.gz RRYQUVGGTRXHEV-UHFFFAOYSA-N -1 0 524.249 6.317 50 30 KKEARM N#Cc1c(/N=C/c2cc(Br)cc(Br)c2[O-])oc(-c2ccco2)c1-c1ccco1 ZINC000001057882 551600288 /nfs/dbraw/zinc/60/02/88/551600288.db2.gz NZTVWAURKBBJCH-YSURURNPSA-N -1 0 502.118 6.652 50 30 KKEARM CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077240 551604504 /nfs/dbraw/zinc/60/45/04/551604504.db2.gz YPGWWTUKKRPLAV-YMGMXPECSA-N -1 0 531.565 5.696 50 30 KKEARM CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OCC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077434 551604913 /nfs/dbraw/zinc/60/49/13/551604913.db2.gz GLNIPDWENLHMFW-YRVHBCJASA-N -1 0 545.592 6.086 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097620 551608023 /nfs/dbraw/zinc/60/80/23/551608023.db2.gz HRLPTMVMFGNOFG-XBBWARJSSA-N -1 0 545.979 6.014 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001103842 551609480 /nfs/dbraw/zinc/60/94/80/551609480.db2.gz HTVXAUMAKQLUOP-NDEPHWFRSA-N -1 0 540.572 5.752 50 30 KKEARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)Nc4ccc(C)cc4)ccc2-3)cc1 ZINC000001216365 551626558 /nfs/dbraw/zinc/62/65/58/551626558.db2.gz LOYXTSRKPJUCKY-UHFFFAOYSA-N -1 0 533.631 5.112 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243210 551631163 /nfs/dbraw/zinc/63/11/63/551631163.db2.gz QTLMVTVGDJFWIA-GDJIYFAZSA-N -1 0 530.602 5.300 50 30 KKEARM CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409581 551664163 /nfs/dbraw/zinc/66/41/63/551664163.db2.gz IPCJTAUIHNCYMX-BHNGRWRESA-N -1 0 597.712 6.315 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001450605 551675580 /nfs/dbraw/zinc/67/55/80/551675580.db2.gz PYIIPDYLNWEYOD-HXUWFJFHSA-N -1 0 509.381 5.997 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001451434 551676010 /nfs/dbraw/zinc/67/60/10/551676010.db2.gz JRUDHPHKGXFBGV-NRFANRHFSA-N -1 0 523.408 6.306 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001451685 551676365 /nfs/dbraw/zinc/67/63/65/551676365.db2.gz QJLWBUDECCDTNM-XMMPIXPASA-N -1 0 534.565 5.634 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457411 551677091 /nfs/dbraw/zinc/67/70/91/551677091.db2.gz PQRIYVITRYNSCS-JCOAXYOVSA-N -1 0 526.589 5.469 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001457585 551677266 /nfs/dbraw/zinc/67/72/66/551677266.db2.gz VRQJMAFWZJYLJT-KCEHZKJRSA-N -1 0 567.642 6.658 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480154 551681632 /nfs/dbraw/zinc/68/16/32/551681632.db2.gz XQXSLEDQEKHJCO-QFIPXVFZSA-N -1 0 536.993 5.758 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480868 551682178 /nfs/dbraw/zinc/68/21/78/551682178.db2.gz UJXHWGZSQQIENN-DEOSSOPVSA-N -1 0 534.565 5.634 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000001481237 551682249 /nfs/dbraw/zinc/68/22/49/551682249.db2.gz PTAYNRRUSPDBLB-MRXNPFEDSA-N -1 0 520.202 5.451 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000001482368 551682954 /nfs/dbraw/zinc/68/29/54/551682954.db2.gz DMCFDLVOMBGZMH-DEOSSOPVSA-N -1 0 534.565 5.634 50 30 KKEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=S)NC=C(C(=O)c3ccccc3)C(=O)c3ccccc3)cc2)c1C ZINC000001637405 551687367 /nfs/dbraw/zinc/68/73/67/551687367.db2.gz SFBOLOAMTKPEMA-UHFFFAOYSA-N -1 0 560.657 5.028 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccccc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000001851750 551715613 /nfs/dbraw/zinc/71/56/13/551715613.db2.gz HTYLRAYWOXMZRF-UHFFFAOYSA-N -1 0 590.771 6.887 50 30 KKEARM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001921030 551734546 /nfs/dbraw/zinc/73/45/46/551734546.db2.gz RBTZWMTYDWFWHN-KIBLKLHPSA-N -1 0 520.608 7.438 50 30 KKEARM CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3cc(Cc4ccccc4)cc([N+](=O)[O-])c3[O-])c2)cc1 ZINC000001947774 551735105 /nfs/dbraw/zinc/73/51/05/551735105.db2.gz ZCAZXYJCUUJUJD-UZWMFBFFSA-N -1 0 507.590 7.192 50 30 KKEARM COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001951568 551735362 /nfs/dbraw/zinc/73/53/62/551735362.db2.gz QVNSYWRBSIXAIU-OPEKNORGSA-N -1 0 516.189 6.793 50 30 KKEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1[O-] ZINC000002056850 551740101 /nfs/dbraw/zinc/74/01/01/551740101.db2.gz HUXCEDKRGOSADU-FJEPWZHXSA-N -1 0 518.356 7.757 50 30 KKEARM CCOc1cc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002069971 551746670 /nfs/dbraw/zinc/74/66/70/551746670.db2.gz JIVKQYLWNNBOQS-MUFRIFMGSA-N -1 0 556.556 7.427 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S/C2=N\c2ccccc2)cc1 ZINC000002080433 551751248 /nfs/dbraw/zinc/75/12/48/551751248.db2.gz WZNBHTWGANPFEI-TXOYAAFXSA-N -1 0 525.542 6.357 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1OCC(=O)[O-] ZINC000002123946 551771432 /nfs/dbraw/zinc/77/14/32/551771432.db2.gz LWVRVIDZXDJLIQ-UHFFFAOYSA-N -1 0 548.079 6.689 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000002125492 551771879 /nfs/dbraw/zinc/77/18/79/551771879.db2.gz MEJUCWBMUPOXPI-ATVHPVEESA-N -1 0 501.297 5.197 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)ccc1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)c([O-])c(Cl)c1 ZINC000002177811 551783772 /nfs/dbraw/zinc/78/37/72/551783772.db2.gz KCSNUJJQXLJANH-UHFFFAOYSA-N -1 0 579.351 8.896 50 30 KKEARM Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1 ZINC000002181398 551785034 /nfs/dbraw/zinc/78/50/34/551785034.db2.gz UUMXQTJCOLBZHX-OPEKNORGSA-N -1 0 513.000 6.353 50 30 KKEARM C[C@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002188434 551788430 /nfs/dbraw/zinc/78/84/30/551788430.db2.gz RWVAAUQAHSQQJX-RVRSLOCESA-N -1 0 560.202 5.600 50 30 KKEARM CCOc1ccccc1C(=O)NC([N-]c1sc2c(c1C#N)CCCCC2)(C(F)(F)F)C(F)(F)F ZINC000002286995 551807073 /nfs/dbraw/zinc/80/70/73/551807073.db2.gz CUVKSSKQUXIZEF-UHFFFAOYSA-N -1 0 505.484 5.950 50 30 KKEARM COc1ccc(Cl)cc1NC(=Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)NC(=O)c1ccccc1 ZINC000002594498 552134052 /nfs/dbraw/zinc/13/40/52/552134052.db2.gz ONMHNTTZPXYQOY-UHFFFAOYSA-N -1 0 554.459 5.907 50 30 KKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c([O-])c1Br ZINC000003066603 552285016 /nfs/dbraw/zinc/28/50/16/552285016.db2.gz JUZBJCNNVIMMJQ-OXUBWTJQSA-N -1 0 524.629 8.291 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4cccc(OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)c4)ccc3[O-])nc2c1 ZINC000003113271 552289905 /nfs/dbraw/zinc/28/99/05/552289905.db2.gz SLXYTWMWZHMDRX-WKULSOCRSA-N -1 0 538.472 6.295 50 30 KKEARM Cc1ccc2nc(-c3cc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4[O-])ccc3Cl)oc2c1 ZINC000003114197 552290050 /nfs/dbraw/zinc/29/00/50/552290050.db2.gz IPRLZENFEMEKHW-YPXUMCKCSA-N -1 0 504.211 7.946 50 30 KKEARM CCOc1[n-]n(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1C=NOCc1ccc(C(F)(F)F)cc1 ZINC000003134683 552292991 /nfs/dbraw/zinc/29/29/91/552292991.db2.gz NQMUQNASRAQNGZ-GESPGMLMSA-N -1 0 508.806 5.613 50 30 KKEARM Cc1ccc2nc(-c3cc(/N=C/c4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3[O-])oc2c1 ZINC000003139648 552294531 /nfs/dbraw/zinc/29/45/31/552294531.db2.gz AVDFKEYQJJDJHG-IBBHUPRXSA-N -1 0 517.368 7.785 50 30 KKEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=NN=c2nc(Nc3ccccc3)[nH]c(Nc3ccccc3)n2)c1[O-] ZINC000004090231 552434963 /nfs/dbraw/zinc/43/49/63/552434963.db2.gz YALIYZAXQZVOLG-NDZAJKAJSA-N -1 0 532.564 6.009 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)NCCc1ccccc1 ZINC000004109549 552437891 /nfs/dbraw/zinc/43/78/91/552437891.db2.gz CDFXGNVOMLYKIM-XODNFHPESA-N -1 0 699.377 6.413 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355597 552499011 /nfs/dbraw/zinc/49/90/11/552499011.db2.gz FRGGTRBJECFARK-RUZDIDTESA-N -1 0 578.687 6.297 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005918665 552511618 /nfs/dbraw/zinc/51/16/18/552511618.db2.gz CPWXMAVLODQFDH-HSZRJFAPSA-N -1 0 566.632 5.217 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919198 552512338 /nfs/dbraw/zinc/51/23/38/552512338.db2.gz VPMOTLDERGMULN-VWLOTQADSA-N -1 0 578.687 6.297 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919193 552512436 /nfs/dbraw/zinc/51/24/36/552512436.db2.gz YENSGDCFDIQIDN-DEOSSOPVSA-N -1 0 564.660 5.907 50 30 KKEARM O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000006146971 552548645 /nfs/dbraw/zinc/54/86/45/552548645.db2.gz QOHDHDARQBPGFU-UHFFFAOYSA-N -1 0 574.873 7.336 50 30 KKEARM O=S(=O)(N=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000006147141 552548899 /nfs/dbraw/zinc/54/88/99/552548899.db2.gz MFEKYMZHRYIDFD-UHFFFAOYSA-N -1 0 578.075 5.332 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000006445381 552587663 /nfs/dbraw/zinc/58/76/63/552587663.db2.gz MDGKUTLYHFQUEX-FQEVSTJZSA-N -1 0 536.731 6.904 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383428 552986450 /nfs/dbraw/zinc/98/64/50/552986450.db2.gz OKRRPCFPUIIMIF-MHZLTWQESA-N -1 0 632.163 8.192 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383427 552986562 /nfs/dbraw/zinc/98/65/62/552986562.db2.gz OKRRPCFPUIIMIF-HHHXNRCGSA-N -1 0 632.163 8.192 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000008383458 552986797 /nfs/dbraw/zinc/98/67/97/552986797.db2.gz ZWILMJBEOCXOMT-AREMUKBSSA-N -1 0 617.680 6.906 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000008384010 552988745 /nfs/dbraw/zinc/98/87/45/552988745.db2.gz ONBSTHHNWJIZGF-HHHXNRCGSA-N -1 0 581.719 7.791 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384077 552988808 /nfs/dbraw/zinc/98/88/08/552988808.db2.gz ZTNRIATZYPCUQH-VWLOTQADSA-N -1 0 620.108 7.117 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000008385493 552990839 /nfs/dbraw/zinc/99/08/39/552990839.db2.gz APPIGGSTXAAMEP-XSFVSMFZSA-N -1 0 515.003 5.165 50 30 KKEARM CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000008396397 552995384 /nfs/dbraw/zinc/99/53/84/552995384.db2.gz HPHTYSTXQCTIQQ-UHFFFAOYSA-N -1 0 557.687 6.678 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Cl)cccc4Cl)c3=O)n2)cc1 ZINC000008397575 552997049 /nfs/dbraw/zinc/99/70/49/552997049.db2.gz SIUJXQGXOJUZKV-JJKYIXSRSA-N -1 0 567.414 6.253 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(C(F)(F)F)c4)c3=O)n2)cc1 ZINC000008398390 552998895 /nfs/dbraw/zinc/99/88/95/552998895.db2.gz CFRMIGIWVXKLBA-SJIPCVTESA-N -1 0 550.522 6.265 50 30 KKEARM COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000008432426 553026096 /nfs/dbraw/zinc/02/60/96/553026096.db2.gz ATWFLZVWWLZNAF-KKIUXKEOSA-N -1 0 574.605 5.617 50 30 KKEARM N#Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008432804 553027133 /nfs/dbraw/zinc/02/71/33/553027133.db2.gz VUORRXOQXFTQMI-JRPXNJEYSA-N -1 0 509.537 5.463 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1Cl ZINC000008437887 553032177 /nfs/dbraw/zinc/03/21/77/553032177.db2.gz QRMLOALGQDJPLB-UHFFFAOYSA-N -1 0 626.577 7.741 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441226 553040049 /nfs/dbraw/zinc/04/00/49/553040049.db2.gz MUJFCCUJMRIPPP-LJAQVGFWSA-N -1 0 617.708 8.152 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1 ZINC000008441747 553042168 /nfs/dbraw/zinc/04/21/68/553042168.db2.gz JAVBZXOIYYCHAM-QFIPXVFZSA-N -1 0 502.573 6.286 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441742 553042246 /nfs/dbraw/zinc/04/22/46/553042246.db2.gz NWKJHYWXSBMUFL-XMMPIXPASA-N -1 0 575.440 6.987 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441791 553042313 /nfs/dbraw/zinc/04/23/13/553042313.db2.gz VHMGFMOLLAKZNJ-PMERELPUSA-N -1 0 631.735 8.078 50 30 KKEARM Cc1ccc(NC(=O)COc2ccc(C3C4=C(CC(C)(C)CC4=O)N(CC(=O)[O-])C4=C3C(=O)CC(C)(C)C4)cc2Cl)cc1Cl ZINC000008461836 553075412 /nfs/dbraw/zinc/07/54/12/553075412.db2.gz IYEVTAKXUJNSCP-UHFFFAOYSA-N -1 0 639.576 7.090 50 30 KKEARM O=C([N-]CCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008687201 553116643 /nfs/dbraw/zinc/11/66/43/553116643.db2.gz ZZOGNCBLPNJXML-UHFFFAOYSA-N -1 0 550.237 5.453 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008837623 553164390 /nfs/dbraw/zinc/16/43/90/553164390.db2.gz QKHXDBCNFADIJH-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1Br ZINC000008846447 553166361 /nfs/dbraw/zinc/16/63/61/553166361.db2.gz FLCRMGKKLKMMAE-NRFANRHFSA-N -1 0 500.751 6.333 50 30 KKEARM Cc1cccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1C ZINC000008854827 553167127 /nfs/dbraw/zinc/16/71/27/553167127.db2.gz HGFUESBBNHODPH-RAWMCFOBSA-N -1 0 503.906 5.431 50 30 KKEARM Cc1cccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3[O-])nc(N3CCC(C)CC3)n2)c1C ZINC000008872986 553174629 /nfs/dbraw/zinc/17/46/29/553174629.db2.gz FYSOOKFDAWPMSG-UVHMKAGCSA-N -1 0 589.336 6.145 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894384 553177572 /nfs/dbraw/zinc/17/75/72/553177572.db2.gz FZQOEOXYEJCOAA-QFIPXVFZSA-N -1 0 503.511 5.689 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008904393 553183431 /nfs/dbraw/zinc/18/34/31/553183431.db2.gz IWDIHSWTLBPWGB-JOCHJYFZSA-N -1 0 520.538 5.244 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000008919180 553188800 /nfs/dbraw/zinc/18/88/00/553188800.db2.gz PJASOWRYNXOEHB-NRFANRHFSA-N -1 0 506.580 5.200 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008996645 553197434 /nfs/dbraw/zinc/19/74/34/553197434.db2.gz UVKBCMFSKSCPOC-QFIPXVFZSA-N -1 0 502.548 5.330 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000009045722 553203599 /nfs/dbraw/zinc/20/35/99/553203599.db2.gz ZEYUGEDCKDKTHF-QHCPKHFHSA-N -1 0 520.538 5.244 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009110413 553209996 /nfs/dbraw/zinc/20/99/96/553209996.db2.gz KVGYXAFVDDITRO-HXUWFJFHSA-N -1 0 502.286 6.251 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009185007 553217080 /nfs/dbraw/zinc/21/70/80/553217080.db2.gz UCBQZXLOQCZLJD-QFIPXVFZSA-N -1 0 506.605 5.938 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009236344 553225615 /nfs/dbraw/zinc/22/56/15/553225615.db2.gz UNCBWENEEHWTPI-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009242953 553226577 /nfs/dbraw/zinc/22/65/77/553226577.db2.gz HQQIDDBYXZZMJZ-RUZDIDTESA-N -1 0 506.555 5.352 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000009272378 553231808 /nfs/dbraw/zinc/23/18/08/553231808.db2.gz KFTIUQQUROWIGW-OAQYLSRUSA-N -1 0 503.860 5.856 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009273783 553232246 /nfs/dbraw/zinc/23/22/46/553232246.db2.gz VXHUSKUJVFZHNI-HSZRJFAPSA-N -1 0 520.563 5.397 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000009280159 553232844 /nfs/dbraw/zinc/23/28/44/553232844.db2.gz GSKVOQPNQDWYLT-IBGZPJMESA-N -1 0 511.353 5.443 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000009280257 553233052 /nfs/dbraw/zinc/23/30/52/553233052.db2.gz FDOBFKVFDRBCGI-IBGZPJMESA-N -1 0 513.344 5.882 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009280175 553233089 /nfs/dbraw/zinc/23/30/89/553233089.db2.gz QZWWASUOQJYBOH-XMMPIXPASA-N -1 0 518.566 6.016 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009291561 553234660 /nfs/dbraw/zinc/23/46/60/553234660.db2.gz KKGLGKATUPPIHV-MCMMXHMISA-N -1 0 503.967 5.451 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009329429 553242438 /nfs/dbraw/zinc/24/24/38/553242438.db2.gz PRLIEDLPRWOWBR-QKVFXAPYSA-N -1 0 508.983 5.414 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009339624 553243661 /nfs/dbraw/zinc/24/36/61/553243661.db2.gz ZWEJXLHRCSCSDE-HSZRJFAPSA-N -1 0 506.530 6.146 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccncc2)o1 ZINC000009356994 553246703 /nfs/dbraw/zinc/24/67/03/553246703.db2.gz DGNFYOKPGWRCKU-IBGZPJMESA-N -1 0 508.556 5.049 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009357998 553247203 /nfs/dbraw/zinc/24/72/03/553247203.db2.gz VZUNBCUNPLCRAE-QGZVFWFLSA-N -1 0 503.363 5.328 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009375158 553251065 /nfs/dbraw/zinc/25/10/65/553251065.db2.gz ZUQUDOKARGJMAK-XMMPIXPASA-N -1 0 510.974 5.997 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009380078 553251714 /nfs/dbraw/zinc/25/17/14/553251714.db2.gz HBNVSWCYQDUNQB-YKGWIAGDSA-N -1 0 524.573 5.239 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000009403676 553255382 /nfs/dbraw/zinc/25/53/82/553255382.db2.gz LIGUEBHFSASPQI-LAJNKCICSA-N -1 0 509.008 6.118 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009424562 553258670 /nfs/dbraw/zinc/25/86/70/553258670.db2.gz YQXCDQGBYUELID-FQEVSTJZSA-N -1 0 502.832 6.050 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009451746 553265939 /nfs/dbraw/zinc/26/59/39/553265939.db2.gz GFQCIVYTSJTUPH-RUZDIDTESA-N -1 0 500.507 5.255 50 30 KKEARM CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009460754 553266879 /nfs/dbraw/zinc/26/68/79/553266879.db2.gz TUEBYJCUQLHTNU-QFIPXVFZSA-N -1 0 510.771 6.088 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009460941 553267207 /nfs/dbraw/zinc/26/72/07/553267207.db2.gz YIMUDZTWIAUXQA-HXUWFJFHSA-N -1 0 513.384 5.305 50 30 KKEARM C=CCc1ccccc1OCCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c2ccccc21 ZINC000009478008 553272405 /nfs/dbraw/zinc/27/24/05/553272405.db2.gz HRIBFUGHMXIDSF-OOAXWGSJSA-N -1 0 519.601 5.678 50 30 KKEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000009724198 553301314 /nfs/dbraw/zinc/30/13/14/553301314.db2.gz VQENNMBEFLAKGP-SLMZUGIISA-N -1 0 502.943 5.591 50 30 KKEARM Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1[O-] ZINC000011678567 553340131 /nfs/dbraw/zinc/34/01/31/553340131.db2.gz JMPFSEBWVLAJKM-KRWDZBQOSA-N -1 0 663.080 7.124 50 30 in-man KKEARM O=c1c(N=Nc2cccc(Br)c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000012275899 553356069 /nfs/dbraw/zinc/35/60/69/553356069.db2.gz KXAASOANYWRRNT-SLMZUGIISA-N -1 0 502.397 5.792 50 30 KKEARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4cccc(C(=O)[O-])c4)c4ccccc4C3c3ccccc32)cc1 ZINC000015133841 553528249 /nfs/dbraw/zinc/52/82/49/553528249.db2.gz FFBCTMOFWIQYFC-LZTXDXAFSA-N -1 0 512.565 5.647 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3nc4ccccc4s3)[C@@H]2c2ccccc2)nc1C ZINC000016750584 553580685 /nfs/dbraw/zinc/58/06/85/553580685.db2.gz SRVGYQRMKLKEAP-IBGZPJMESA-N -1 0 517.588 5.187 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(CC)cc2)nc1C ZINC000016805433 553582820 /nfs/dbraw/zinc/58/28/20/553582820.db2.gz ISOKLQWNVCJHKE-NRFANRHFSA-N -1 0 508.571 5.421 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000016806221 553583172 /nfs/dbraw/zinc/58/31/72/553583172.db2.gz SYTXNDSPKONHII-QFIPXVFZSA-N -1 0 514.632 5.625 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000017180443 553590106 /nfs/dbraw/zinc/59/01/06/553590106.db2.gz GACPBRFYLUPENN-LDADJPATSA-N -1 0 504.612 5.717 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc5ccccc54)c3=O)n2)cc1 ZINC000017919604 553600692 /nfs/dbraw/zinc/60/06/92/553600692.db2.gz XEKHMONCJIKZHM-MXNGAVTRSA-N -1 0 503.587 6.191 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197723 553608876 /nfs/dbraw/zinc/60/88/76/553608876.db2.gz MTWHWPSQUIBSGT-XRHLQHRESA-N -1 0 511.603 5.664 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018197721 553608902 /nfs/dbraw/zinc/60/89/02/553608902.db2.gz MTWHWPSQUIBSGT-MYUZEXMDSA-N -1 0 511.603 5.664 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(C)c(C)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198854 553610059 /nfs/dbraw/zinc/61/00/59/553610059.db2.gz BOAKKWDAJKJNKP-HRFSGMKKSA-N -1 0 509.631 6.515 50 30 KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000070698697 553614763 /nfs/dbraw/zinc/61/47/63/553614763.db2.gz CATZXTDLBUPYIP-JEEQPCPOSA-N -1 0 549.708 5.585 50 30 biogenic KKEARM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 ZINC000019890716 553629828 /nfs/dbraw/zinc/62/98/28/553629828.db2.gz SVTLWELNXSENHB-UHFFFAOYSA-N -1 0 521.997 5.426 50 30 KKEARM CCOC(=O)c1ccc(O/C(=C/N(C)Cc2ccccc2)C(=O)c2ccc([O-])c(C[N@H+](C)Cc3ccccc3)c2[O-])cc1 ZINC000071382578 553635274 /nfs/dbraw/zinc/63/52/74/553635274.db2.gz XIHVCWFQYXZKHJ-FEZSWGLMSA-N -1 0 580.681 6.142 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000079216700 553670884 /nfs/dbraw/zinc/67/08/84/553670884.db2.gz MTEVWUWWYBUXPF-AHFYBFPWSA-N -1 0 668.700 9.596 50 30 biogenic KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020064399 553674998 /nfs/dbraw/zinc/67/49/98/553674998.db2.gz WXEXHCPMCRXCNI-FQEVSTJZSA-N -1 0 506.780 5.326 50 30 KKEARM Cc1ccc2[nH]c(-c3cc(N=Cc4cc(Cl)cc(I)c4[O-])ccc3O)nc2c1 ZINC000020075300 553676321 /nfs/dbraw/zinc/67/63/21/553676321.db2.gz HABYDYAEHJLDIE-YSURURNPSA-N -1 0 503.727 5.958 50 30 KKEARM CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000020101169 553687166 /nfs/dbraw/zinc/68/71/66/553687166.db2.gz DTAIJNJOQYLBEA-QHCPKHFHSA-N -1 0 514.416 5.796 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201994 553700633 /nfs/dbraw/zinc/70/06/33/553700633.db2.gz LQCAPZFOMOXRHZ-NPMXOYFQSA-N -1 0 512.584 5.074 50 30 KKEARM CCCCCCCCC[C@H](CCCCCCCC(=O)[O-])OC(=O)c1c2ccccc2cc2ccccc21 ZINC000095696927 553708420 /nfs/dbraw/zinc/70/84/20/553708420.db2.gz KCSPZBFHFNHKIQ-MUUNZHRXSA-N -1 0 504.711 9.474 50 30 KKEARM CCOC(=O)[C@](O)(c1ccc([N-]C(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000095725691 553710641 /nfs/dbraw/zinc/71/06/41/553710641.db2.gz KPBHWSLEACNTPG-HXUWFJFHSA-N -1 0 606.438 5.070 50 30 KKEARM C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096115502 553726169 /nfs/dbraw/zinc/72/61/69/553726169.db2.gz LHTCPEJCLLVXFB-SFHVURJKSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000096234387 553731605 /nfs/dbraw/zinc/73/16/05/553731605.db2.gz FMEZFDNJNPBYKG-LPYMAVHISA-N -1 0 514.676 5.354 50 30 KKEARM COc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2CC(C)C)cc1 ZINC000097466938 553758890 /nfs/dbraw/zinc/75/88/90/553758890.db2.gz FEEGWZWYYWVSDT-GQCLMTPZSA-N -1 0 519.417 5.181 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939693 553760469 /nfs/dbraw/zinc/76/04/69/553760469.db2.gz MEJWMKDYRGRMQG-GYCJOSAFSA-N -1 0 558.678 5.419 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939698 553760534 /nfs/dbraw/zinc/76/05/34/553760534.db2.gz RCAKPRFFNSDLFX-XHCCPWGMSA-N -1 0 560.628 5.518 50 30 KKEARM COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1 ZINC000023043170 553768796 /nfs/dbraw/zinc/76/87/96/553768796.db2.gz ODLMNBAEGSGDCJ-ACCUITESSA-N -1 0 506.576 5.275 50 30 KKEARM C=CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000024193213 553790560 /nfs/dbraw/zinc/79/05/60/553790560.db2.gz MYHJSLZWGWQDEQ-XMMPIXPASA-N -1 0 510.011 5.853 50 30 KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000097950457 553804518 /nfs/dbraw/zinc/80/45/18/553804518.db2.gz NCQPAMATKRYCCF-UHFFFAOYSA-N -1 0 539.101 7.567 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097951801 553811413 /nfs/dbraw/zinc/81/14/13/553811413.db2.gz JJVBZKLWXFZYSF-OAQYLSRUSA-N -1 0 521.938 5.649 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952170 553813488 /nfs/dbraw/zinc/81/34/88/553813488.db2.gz MYLQSHIWHGURCM-QFIPXVFZSA-N -1 0 519.966 6.203 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952442 553815675 /nfs/dbraw/zinc/81/56/75/553815675.db2.gz IKQHRQKCDCTUIZ-QHCPKHFHSA-N -1 0 531.546 5.313 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952464 553816098 /nfs/dbraw/zinc/81/60/98/553816098.db2.gz FOCSSDSOWJCDME-FQEVSTJZSA-N -1 0 525.449 6.466 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955013 553827518 /nfs/dbraw/zinc/82/75/18/553827518.db2.gz JPMUENKNBUIAFD-SHACYNPGSA-N -1 0 543.557 5.319 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955071 553828282 /nfs/dbraw/zinc/82/82/82/553828282.db2.gz YSFDQBBREMBCPF-RZFZLAGVSA-N -1 0 623.481 5.888 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097955107 553828816 /nfs/dbraw/zinc/82/88/16/553828816.db2.gz STGDNZMIQFUGIG-HHHXNRCGSA-N -1 0 636.723 6.006 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000027522509 553829037 /nfs/dbraw/zinc/82/90/37/553829037.db2.gz NDNNZLMEYJSWPS-DSWYMIRZSA-N -1 0 507.999 5.241 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000027522637 553829348 /nfs/dbraw/zinc/82/93/48/553829348.db2.gz GVGKTGGIMJBGKV-ZHLRLBJSSA-N -1 0 511.962 5.338 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955580 553831649 /nfs/dbraw/zinc/83/16/49/553831649.db2.gz HDNDGWQOVSGFGA-JBEBIEQOSA-N -1 0 544.560 5.328 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955574 553831723 /nfs/dbraw/zinc/83/17/23/553831723.db2.gz BCXKJKDPMIIDIU-SGANQWHYSA-N -1 0 547.032 6.455 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955620 553832087 /nfs/dbraw/zinc/83/20/87/553832087.db2.gz WMGDDBWGNABGNP-BZQUYTCOSA-N -1 0 547.032 6.455 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097955683 553832929 /nfs/dbraw/zinc/83/29/29/553832929.db2.gz YTJKMZDZFJTGFP-HHHXNRCGSA-N -1 0 607.084 6.691 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097955725 553833154 /nfs/dbraw/zinc/83/31/54/553833154.db2.gz PNNHZIQHDRPYHG-ZAMGYDSWSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956229 553837001 /nfs/dbraw/zinc/83/70/01/553837001.db2.gz LQCARSUPQNCQIE-NPMABZOXSA-N -1 0 531.521 5.450 50 30 KKEARM Cc1ccccc1-n1[n-]c(-c2ccc(Cl)cc2Cl)c(C=C2NC(=O)N(Cc3ccccc3C#N)C2=O)c1=O ZINC000097956480 553839145 /nfs/dbraw/zinc/83/91/45/553839145.db2.gz PBIYCFZUAHBSOE-QRVIBDJDSA-N -1 0 544.398 5.825 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956686 553840721 /nfs/dbraw/zinc/84/07/21/553840721.db2.gz SRKJITHEVDWILF-SHACYNPGSA-N -1 0 543.557 5.319 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956838 553842168 /nfs/dbraw/zinc/84/21/68/553842168.db2.gz ZGSFMKKPYNXSGJ-AREMUKBSSA-N -1 0 584.650 6.520 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956872 553843018 /nfs/dbraw/zinc/84/30/18/553843018.db2.gz YCKFQEXNUSIDSH-NRFANRHFSA-N -1 0 532.599 5.875 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(I)cc(I)c2[O-])c1)c1cccc(Cl)c1 ZINC000097958534 553855385 /nfs/dbraw/zinc/85/53/85/553855385.db2.gz TZGYWWZYLZXBQH-BHGWPJFGSA-N -1 0 602.597 6.258 50 30 KKEARM Cc1c(Br)cc(Br)cc1C(c1ccccc1S(=O)(=O)[O-])=C1C=C(Br)C(=O)C(Br)=C1C ZINC000097959062 553860351 /nfs/dbraw/zinc/86/03/51/553860351.db2.gz YGAPWFUZRCBKAA-CYVLTUHYSA-N -1 0 682.022 7.099 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(Cl)c(F)c4)C3=O)o2)ccc1Cl ZINC000032099557 553862597 /nfs/dbraw/zinc/86/25/97/553862597.db2.gz XJFTWKKLEBSYIA-ATVHPVEESA-N -1 0 501.297 5.197 50 30 KKEARM N#Cc1ccccc1Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000097960430 553871722 /nfs/dbraw/zinc/87/17/22/553871722.db2.gz MFVMBPHPMGHSOO-UIMOKLRASA-N -1 0 568.658 7.064 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000097960552 553872348 /nfs/dbraw/zinc/87/23/48/553872348.db2.gz XCNGRGZIZAQWRX-UCQKPKSFSA-N -1 0 626.301 7.034 50 30 KKEARM C[C@@H](O/N=C(/C(=O)[O-])c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)N1CCCCC1 ZINC000097960726 553873291 /nfs/dbraw/zinc/87/32/91/553873291.db2.gz ZSOQGDKLURCFGB-BCFCDWDESA-N -1 0 568.699 5.753 50 30 KKEARM C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1I ZINC000097960830 553873686 /nfs/dbraw/zinc/87/36/86/553873686.db2.gz RWPYOMVELDLZTD-WQLSENKSSA-N -1 0 634.208 5.271 50 30 KKEARM Cc1cc(/N=C/c2cc(Br)cc(Br)c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000097966010 553906441 /nfs/dbraw/zinc/90/64/41/553906441.db2.gz BFOXLYYNXGGDHC-RPPGKUMJSA-N -1 0 528.200 6.975 50 30 KKEARM COc1cc(/N=C/c2cc(Br)cc(Br)c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000097966012 553906480 /nfs/dbraw/zinc/90/64/80/553906480.db2.gz OBIJJQKPMNHCGL-RPPGKUMJSA-N -1 0 544.199 6.675 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966984 553912629 /nfs/dbraw/zinc/91/26/29/553912629.db2.gz GULCBQLIWBGTFN-NDEPHWFRSA-N -1 0 628.703 6.316 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967003 553912736 /nfs/dbraw/zinc/91/27/36/553912736.db2.gz RFLZQIAGGXAJIO-MHZLTWQESA-N -1 0 614.676 6.013 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097967016 553913175 /nfs/dbraw/zinc/91/31/75/553913175.db2.gz QYEZRPNDNIECDH-OAQYLSRUSA-N -1 0 555.837 6.504 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000097967194 553914715 /nfs/dbraw/zinc/91/47/15/553914715.db2.gz AIOOEXAQUWPODR-HHHXNRCGSA-N -1 0 598.652 6.604 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000097967420 553918114 /nfs/dbraw/zinc/91/81/14/553918114.db2.gz HIXXGNBIZKZUEG-AREMUKBSSA-N -1 0 604.681 5.917 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967433 553918557 /nfs/dbraw/zinc/91/85/57/553918557.db2.gz MZRQUZTYOOVBHV-HWRSSNJWSA-N -1 0 637.508 6.278 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000097967525 553919877 /nfs/dbraw/zinc/91/98/77/553919877.db2.gz SQCGHJQVHXKBIN-SANMLTNESA-N -1 0 586.641 6.438 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097967572 553920195 /nfs/dbraw/zinc/92/01/95/553920195.db2.gz KYMXAYAMQGUYGC-MUUNZHRXSA-N -1 0 648.734 6.172 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000097967595 553920595 /nfs/dbraw/zinc/92/05/95/553920595.db2.gz BYNRMFCXOGZJQI-SANMLTNESA-N -1 0 620.680 5.536 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967615 553921166 /nfs/dbraw/zinc/92/11/66/553921166.db2.gz MSGYGRNGFPCIAK-LAJNKCICSA-N -1 0 629.485 5.211 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967685 553921895 /nfs/dbraw/zinc/92/18/95/553921895.db2.gz WSXWKYRSCBLMHF-UDNBHOFDSA-N -1 0 685.868 8.069 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967725 553922305 /nfs/dbraw/zinc/92/23/05/553922305.db2.gz SEAMEGNRXCRTEQ-JCOAXYOVSA-N -1 0 682.223 8.169 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967715 553922312 /nfs/dbraw/zinc/92/23/12/553922312.db2.gz IVAWWMRPLKQKHB-SOKVYYICSA-N -1 0 569.639 5.540 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967706 553922319 /nfs/dbraw/zinc/92/23/19/553922319.db2.gz PRBVFMHGQPRHFO-MHZLTWQESA-N -1 0 614.676 5.926 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967827 553923601 /nfs/dbraw/zinc/92/36/01/553923601.db2.gz IDQIMHRJIATBES-MYYSRTQBSA-N -1 0 577.634 6.215 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967820 553923657 /nfs/dbraw/zinc/92/36/57/553923657.db2.gz FWQHMKPIXDIPLQ-QHCPKHFHSA-N -1 0 646.961 7.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc5ccccc5c4)c3=O)n2)cc1 ZINC000033353224 553923817 /nfs/dbraw/zinc/92/38/17/553923817.db2.gz MWHILDVSUNYMRA-QVAGMWBUSA-N -1 0 548.584 6.099 50 30 KKEARM O=C([N-]C1CCCCC1)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000033353316 553924383 /nfs/dbraw/zinc/92/43/83/553924383.db2.gz ISCZNBWWHGRPCR-SCZZXKLOSA-N -1 0 577.231 6.308 50 30 KKEARM O=C([N-]C1CCCCC1)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000033353318 553924439 /nfs/dbraw/zinc/92/44/39/553924439.db2.gz ISCZNBWWHGRPCR-PSASIEDQSA-N -1 0 577.231 6.308 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967951 553925254 /nfs/dbraw/zinc/92/52/54/553925254.db2.gz NOQBVTPNXLWNOH-ADXZGYQBSA-N -1 0 678.232 7.778 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967952 553925513 /nfs/dbraw/zinc/92/55/13/553925513.db2.gz NOQBVTPNXLWNOH-SLQAJWMNSA-N -1 0 678.232 7.778 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967954 553925775 /nfs/dbraw/zinc/92/57/75/553925775.db2.gz NOQBVTPNXLWNOH-XBBWARJSSA-N -1 0 678.232 7.778 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968032 553926552 /nfs/dbraw/zinc/92/65/52/553926552.db2.gz GBTDCAFMQJHMCW-SANMLTNESA-N -1 0 601.706 6.092 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097968027 553926604 /nfs/dbraw/zinc/92/66/04/553926604.db2.gz AOFGDZORZSMUFP-WJOKGBTCSA-N -1 0 687.840 7.517 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968104 553928009 /nfs/dbraw/zinc/92/80/09/553928009.db2.gz WAJXKSFJEWWWOT-NDEPHWFRSA-N -1 0 664.205 7.463 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000097968138 553928479 /nfs/dbraw/zinc/92/84/79/553928479.db2.gz MYZDVXFCBJTFIY-MYYSRTQBSA-N -1 0 592.098 6.296 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968206 553929059 /nfs/dbraw/zinc/92/90/59/553929059.db2.gz XQNQBDHOGDXKDD-GDLZYMKVSA-N -1 0 659.786 6.962 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968228 553929198 /nfs/dbraw/zinc/92/91/98/553929198.db2.gz SKHLCEVCIHEOGY-XGCWNURASA-N -1 0 668.624 8.032 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968236 553929629 /nfs/dbraw/zinc/92/96/29/553929629.db2.gz NHTVTTIVFVBWIL-MYYSRTQBSA-N -1 0 594.089 6.729 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968257 553929641 /nfs/dbraw/zinc/92/96/41/553929641.db2.gz XPGYFAPVCSPEMB-PMERELPUSA-N -1 0 684.195 7.617 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968279 553930029 /nfs/dbraw/zinc/93/00/29/553930029.db2.gz HSYXARBVPZTKGI-RUZDIDTESA-N -1 0 605.669 5.922 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968321 553930344 /nfs/dbraw/zinc/93/03/44/553930344.db2.gz STUACRWXCGLULW-HMILPKGGSA-N -1 0 634.751 6.702 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097968310 553930388 /nfs/dbraw/zinc/93/03/88/553930388.db2.gz HNFBGTWVXXVGME-HHHXNRCGSA-N -1 0 582.634 5.787 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968338 553930681 /nfs/dbraw/zinc/93/06/81/553930681.db2.gz SNGGSHYCESCDAU-LFPIHBKWSA-N -1 0 644.989 7.897 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968369 553931455 /nfs/dbraw/zinc/93/14/55/553931455.db2.gz SHNOUVCSGYFBMP-HSZRJFAPSA-N -1 0 577.615 5.229 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968383 553931580 /nfs/dbraw/zinc/93/15/80/553931580.db2.gz OLDFETPQTWZVCQ-PLTNMMHCSA-N -1 0 716.668 8.823 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968354 553931604 /nfs/dbraw/zinc/93/16/04/553931604.db2.gz PCNKJAZIVDQLJD-IZHWHUGBSA-N -1 0 575.643 5.781 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968390 553931971 /nfs/dbraw/zinc/93/19/71/553931971.db2.gz XAXDCPRQUDHEQE-SANMLTNESA-N -1 0 619.696 6.312 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968411 553931989 /nfs/dbraw/zinc/93/19/89/553931989.db2.gz QACARLVBDWEHHK-SANMLTNESA-N -1 0 636.151 6.827 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968384 553932027 /nfs/dbraw/zinc/93/20/27/553932027.db2.gz OLDFETPQTWZVCQ-PKHCJMHPSA-N -1 0 716.668 8.823 50 30 KKEARM Cc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(N5N=C(c6ccccc6)C[C@H]5c5ccccc5)cc4)c3=O)c2c1 ZINC000097968478 553932810 /nfs/dbraw/zinc/93/28/10/553932810.db2.gz RQVCBGQQYLEAPE-RZWSOBKFSA-N -1 0 538.611 6.130 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097968487 553932824 /nfs/dbraw/zinc/93/28/24/553932824.db2.gz HQCFSJFCYPRAMQ-BOPFTXTBSA-N -1 0 539.444 6.084 50 30 KKEARM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000097968609 553933730 /nfs/dbraw/zinc/93/37/30/553933730.db2.gz YAMUEKACRHGQCZ-ZVERUENYSA-N -1 0 530.241 6.726 50 30 KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000097968815 553934593 /nfs/dbraw/zinc/93/45/93/553934593.db2.gz ITHZIEYABVYUQO-UHFFFAOYSA-N -1 0 518.683 7.222 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097969134 553936999 /nfs/dbraw/zinc/93/69/99/553936999.db2.gz DJXHQYVHANNUIN-MYYSRTQBSA-N -1 0 594.089 6.729 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969140 553937077 /nfs/dbraw/zinc/93/70/77/553937077.db2.gz YGFQPUVYTGIHNR-WGDIFIGCSA-N -1 0 603.697 6.475 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969190 553937957 /nfs/dbraw/zinc/93/79/57/553937957.db2.gz WFYJULAQFDODCZ-WZQKQDCOSA-N -1 0 577.058 6.463 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969309 553939443 /nfs/dbraw/zinc/93/94/43/553939443.db2.gz SMGQYUALHBERDA-GDLZYMKVSA-N -1 0 642.730 6.706 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969341 553939772 /nfs/dbraw/zinc/93/97/72/553939772.db2.gz RVFBZUUSSBOFIF-SGANQWHYSA-N -1 0 591.483 6.564 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969356 553940116 /nfs/dbraw/zinc/94/01/16/553940116.db2.gz QUSXHHOYRTUXTC-WRONEBCDSA-N -1 0 662.233 8.015 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969566 553942163 /nfs/dbraw/zinc/94/21/63/553942163.db2.gz MAQLHTIFTSMANG-QHCPKHFHSA-N -1 0 569.422 6.166 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969652 553943396 /nfs/dbraw/zinc/94/33/96/553943396.db2.gz VLCALTNROZAOOJ-IVCQMTBJSA-N -1 0 606.125 6.599 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969736 553944118 /nfs/dbraw/zinc/94/41/18/553944118.db2.gz KCRJCYIUCXXRLV-SONOPUAISA-N -1 0 659.761 7.039 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097969807 553944908 /nfs/dbraw/zinc/94/49/08/553944908.db2.gz YSZPCTJBGXLBDS-MHZLTWQESA-N -1 0 614.676 6.013 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097969863 553945937 /nfs/dbraw/zinc/94/59/37/553945937.db2.gz KTMZPSAPCJEGEK-MHZLTWQESA-N -1 0 570.623 5.675 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969840 553945945 /nfs/dbraw/zinc/94/59/45/553945945.db2.gz KXGYQRZJBARZSK-KWMCUTETSA-N -1 0 682.651 8.422 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969889 553946335 /nfs/dbraw/zinc/94/63/35/553946335.db2.gz CQFCLHSSESUYOL-BGOLNKOXSA-N -1 0 689.831 7.899 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000097969893 553946412 /nfs/dbraw/zinc/94/64/12/553946412.db2.gz HPUYVWJNOXGTLP-DEOSSOPVSA-N -1 0 578.643 5.361 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969960 553947703 /nfs/dbraw/zinc/94/77/03/553947703.db2.gz MVASUSTXHAGVKS-OLILMLBXSA-N -1 0 643.787 7.124 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970034 553948459 /nfs/dbraw/zinc/94/84/59/553948459.db2.gz CQFNRBHTFXLVBR-SONOPUAISA-N -1 0 621.740 7.099 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097970095 553949551 /nfs/dbraw/zinc/94/95/51/553949551.db2.gz RHAHLGYFQJIMPY-YUYWZBKDSA-N -1 0 705.858 8.223 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970166 553950463 /nfs/dbraw/zinc/95/04/63/553950463.db2.gz YISZKSHSNAKION-SONOPUAISA-N -1 0 661.777 7.263 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970152 553950479 /nfs/dbraw/zinc/95/04/79/553950479.db2.gz MTKXQTKARLKASV-KWMCUTETSA-N -1 0 647.750 6.873 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970190 553950791 /nfs/dbraw/zinc/95/07/91/553950791.db2.gz OHNHVGRDRMNJPG-JCOAXYOVSA-N -1 0 689.831 8.044 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970202 553950893 /nfs/dbraw/zinc/95/08/93/553950893.db2.gz BEQZGUPZGZIKEH-DHYKOVJISA-N -1 0 709.821 8.054 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970198 553950918 /nfs/dbraw/zinc/95/09/18/553950918.db2.gz UQNYJGMXKNFWLD-ROTAYESASA-N -1 0 689.831 8.044 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970217 553951215 /nfs/dbraw/zinc/95/12/15/553951215.db2.gz XDUHDAMLSZHPOU-SLQAJWMNSA-N -1 0 696.678 8.813 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970360 553952861 /nfs/dbraw/zinc/95/28/61/553952861.db2.gz TYPNRCBRLJCNSC-ROTAYESASA-N -1 0 706.286 8.414 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970347 553952946 /nfs/dbraw/zinc/95/29/46/553952946.db2.gz OSIXMIRGXPJXFD-DNOBIOAJSA-N -1 0 634.179 7.379 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970490 553954978 /nfs/dbraw/zinc/95/49/78/553954978.db2.gz MCUHKIKQXSIJSQ-DHYKOVJISA-N -1 0 693.847 8.277 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970505 553955062 /nfs/dbraw/zinc/95/50/62/553955062.db2.gz WICDEVOXFPZIPD-IVCQMTBJSA-N -1 0 634.135 6.377 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970539 553955470 /nfs/dbraw/zinc/95/54/70/553955470.db2.gz NEXGSQATWVFRKW-AFJIDDCJSA-N -1 0 643.787 7.043 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970631 553956872 /nfs/dbraw/zinc/95/68/72/553956872.db2.gz VXGNNTJHKOGTDX-RBSBEOHCSA-N -1 0 619.139 7.634 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970698 553957607 /nfs/dbraw/zinc/95/76/07/553957607.db2.gz RSEGNZCTDVBTEP-SSOJOUAXSA-N -1 0 571.680 5.945 50 30 KKEARM CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCC ZINC000097972504 553967052 /nfs/dbraw/zinc/96/70/52/553967052.db2.gz LHCZDUCPSRJDJT-WUFINQPMSA-N -1 0 610.766 6.770 50 30 in-vitro KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000034169083 553980939 /nfs/dbraw/zinc/98/09/39/553980939.db2.gz FTQDJVZNPJRVPG-SNGGCZKESA-N -1 0 512.731 6.983 50 30 biogenic,in-vitro KKEARM COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(OC)c(CSCC(=O)[O-])c3)cc2)cc1 ZINC000097996771 554038735 /nfs/dbraw/zinc/03/87/35/554038735.db2.gz SLJGHEDQRBQJGA-QPEQYQDCSA-N -1 0 506.576 5.275 50 30 KKEARM O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccc(-c4ccccc4)cc3)nc2/N=C/c2cc(Br)cc(Br)c2[O-])c1 ZINC000097997765 554040274 /nfs/dbraw/zinc/04/02/74/554040274.db2.gz SUQXBYMRZVMNMD-TVTVKCILSA-N -1 0 645.311 7.989 50 30 KKEARM CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097999859 554046487 /nfs/dbraw/zinc/04/64/87/554046487.db2.gz PVDPLAQFKGFUOT-DJRZPZLQSA-N -1 0 665.186 8.392 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3)cc2)c1 ZINC000098045756 554133734 /nfs/dbraw/zinc/13/37/34/554133734.db2.gz KKJUPGZIQGQTCJ-LJAQVGFWSA-N -1 0 623.731 7.640 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)cc2)cc1C ZINC000098046315 554137624 /nfs/dbraw/zinc/13/76/24/554137624.db2.gz OHRIIWWCPMGOKN-VWLOTQADSA-N -1 0 576.671 6.073 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098046334 554137914 /nfs/dbraw/zinc/13/79/14/554137914.db2.gz ZLBZRMAGIIZCKJ-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046425 554139043 /nfs/dbraw/zinc/13/90/43/554139043.db2.gz SGMACPNDFDPLBZ-MHZLTWQESA-N -1 0 682.220 7.471 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000098046517 554140250 /nfs/dbraw/zinc/14/02/50/554140250.db2.gz SGJZGISJQPXYLM-NDEPHWFRSA-N -1 0 673.744 6.940 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)o1 ZINC000098046546 554140675 /nfs/dbraw/zinc/14/06/75/554140675.db2.gz VIQFMLCLVMIXTG-QFIPXVFZSA-N -1 0 547.589 6.400 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000098046604 554141452 /nfs/dbraw/zinc/14/14/52/554141452.db2.gz MNWANIXQDNYJRV-AREMUKBSSA-N -1 0 670.596 7.480 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098046712 554142694 /nfs/dbraw/zinc/14/26/94/554142694.db2.gz ZUHLMDJZLXHAIJ-QHCPKHFHSA-N -1 0 577.615 5.664 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098046715 554142800 /nfs/dbraw/zinc/14/28/00/554142800.db2.gz LMHOSRSDPYBWAA-OAQYLSRUSA-N -1 0 551.671 5.692 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098046716 554142830 /nfs/dbraw/zinc/14/28/30/554142830.db2.gz LMHOSRSDPYBWAA-NRFANRHFSA-N -1 0 551.671 5.692 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047260 554148498 /nfs/dbraw/zinc/14/84/98/554148498.db2.gz HLSDWWUCOUULJD-PMERELPUSA-N -1 0 704.201 8.002 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047369 554150077 /nfs/dbraw/zinc/15/00/77/554150077.db2.gz ZMJLSXVMALZUTQ-MHZLTWQESA-N -1 0 601.750 7.191 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047418 554150471 /nfs/dbraw/zinc/15/04/71/554150471.db2.gz ULXYVYIMGYHLPE-GDLZYMKVSA-N -1 0 629.804 7.889 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047394 554150579 /nfs/dbraw/zinc/15/05/79/554150579.db2.gz SHWUVZWMEWCZRM-XMMPIXPASA-N -1 0 596.105 7.113 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098047417 554150594 /nfs/dbraw/zinc/15/05/94/554150594.db2.gz HCSNZWUEVUMLPY-HKBQPEDESA-N -1 0 657.858 8.670 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047419 554150603 /nfs/dbraw/zinc/15/06/03/554150603.db2.gz ULXYVYIMGYHLPE-LJAQVGFWSA-N -1 0 629.804 7.889 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047425 554150886 /nfs/dbraw/zinc/15/08/86/554150886.db2.gz CMODIUNOACYFRJ-LJAQVGFWSA-N -1 0 647.794 8.110 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047424 554151001 /nfs/dbraw/zinc/15/10/01/554151001.db2.gz CMODIUNOACYFRJ-GDLZYMKVSA-N -1 0 647.794 8.110 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047463 554151311 /nfs/dbraw/zinc/15/13/11/554151311.db2.gz DDPJLRWNEMYGKZ-YTTGMZPUSA-N -1 0 681.811 8.510 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047469 554151478 /nfs/dbraw/zinc/15/14/78/554151478.db2.gz YOFGOYSQKJAROG-LJAQVGFWSA-N -1 0 643.787 7.366 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(C(=O)OC)cc2)nc1C ZINC000098047478 554151523 /nfs/dbraw/zinc/15/15/23/554151523.db2.gz MNRSOSLQGVAGQK-XMMPIXPASA-N -1 0 590.654 5.543 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047508 554151708 /nfs/dbraw/zinc/15/17/08/554151708.db2.gz WTXAZXBVUUBPSW-HKBQPEDESA-N -1 0 654.785 7.805 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047482 554151716 /nfs/dbraw/zinc/15/17/16/554151716.db2.gz WMYFXNXFCQUDBJ-XIFFEERXSA-N -1 0 736.356 9.803 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047502 554151859 /nfs/dbraw/zinc/15/18/59/554151859.db2.gz BJMDPHUIRMUSCC-VWLOTQADSA-N -1 0 606.697 6.013 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000098047524 554152306 /nfs/dbraw/zinc/15/23/06/554152306.db2.gz NMOFKRJMBSYBNP-HSZRJFAPSA-N -1 0 567.063 6.410 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047550 554152625 /nfs/dbraw/zinc/15/26/25/554152625.db2.gz MXBWJXHAUYDPMY-XIFFEERXSA-N -1 0 701.911 9.150 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047563 554152643 /nfs/dbraw/zinc/15/26/43/554152643.db2.gz DKRWGLFVJNDNCI-JGCGQSQUSA-N -1 0 687.884 8.760 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047585 554152919 /nfs/dbraw/zinc/15/29/19/554152919.db2.gz ZHGHUAJGSKIUHN-WJOKGBTCSA-N -1 0 708.302 8.879 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047595 554153149 /nfs/dbraw/zinc/15/31/49/554153149.db2.gz ABUIDBDXTIJAEZ-UUWRZZSWSA-N -1 0 715.938 9.458 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047605 554153553 /nfs/dbraw/zinc/15/35/53/554153553.db2.gz MWDJRYFFAQMHHY-AREMUKBSSA-N -1 0 606.169 7.754 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047633 554154030 /nfs/dbraw/zinc/15/40/30/554154030.db2.gz XQDRIVMCZCZUGG-MUUNZHRXSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047694 554154383 /nfs/dbraw/zinc/15/43/83/554154383.db2.gz ZWACZXUBVKRNEH-VWLOTQADSA-N -1 0 602.694 6.700 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1F ZINC000098047741 554155382 /nfs/dbraw/zinc/15/53/82/554155382.db2.gz AZSIWHXXZGASCX-HHHXNRCGSA-N -1 0 597.693 7.223 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047768 554155838 /nfs/dbraw/zinc/15/58/38/554155838.db2.gz BPGJXYOAAPHCCM-NDEPHWFRSA-N -1 0 653.738 6.570 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098047762 554155856 /nfs/dbraw/zinc/15/58/56/554155856.db2.gz DCBDTGFNIZMVMP-XIFFEERXSA-N -1 0 673.791 8.793 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047826 554156739 /nfs/dbraw/zinc/15/67/39/554156739.db2.gz QLFAAVFSDKHMEJ-NDEPHWFRSA-N -1 0 611.720 7.613 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047898 554157350 /nfs/dbraw/zinc/15/73/50/554157350.db2.gz IQYGSRYXURFISQ-MHZLTWQESA-N -1 0 625.659 6.373 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000098048008 554158355 /nfs/dbraw/zinc/15/83/55/554158355.db2.gz LTNXXMLMPMWVGJ-RUZDIDTESA-N -1 0 528.586 5.528 50 30 KKEARM CCCCCCCCCCCCCCCCNC(=O)c1cc(OCCC(=S)CC(=O)[O-])c2ccccc2c1O ZINC000098050360 554173950 /nfs/dbraw/zinc/17/39/50/554173950.db2.gz DPLSPYKZEVEWNW-UHFFFAOYSA-N -1 0 557.797 8.370 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098050342 554174027 /nfs/dbraw/zinc/17/40/27/554174027.db2.gz GLHYEIXFTQQNJD-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098050346 554174045 /nfs/dbraw/zinc/17/40/45/554174045.db2.gz PGFWZYPIZUXBLH-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000100005811 554178015 /nfs/dbraw/zinc/17/80/15/554178015.db2.gz LKDIODLSLFBMNB-FAJYDZGRSA-N -1 0 561.421 6.008 50 30 KKEARM O=c1c(N=Nc2cccc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100005804 554178019 /nfs/dbraw/zinc/17/80/19/554178019.db2.gz ZPNPCKNQXPMDGD-ZXPTYKNPSA-N -1 0 518.558 6.091 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000100006054 554178300 /nfs/dbraw/zinc/17/83/00/554178300.db2.gz JWVDEHSKXUWDJJ-WMMMYUQOSA-N -1 0 522.417 6.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(N=Nc5ccccc5)cc4)c3=O)n2)cc1 ZINC000100006059 554178310 /nfs/dbraw/zinc/17/83/10/554178310.db2.gz REXPTNGFFOKTLC-LJCDAUQISA-N -1 0 557.639 7.453 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Cl)cc([N+](=O)[O-])cc4Cl)c3=O)n2)cc1 ZINC000100006026 554178322 /nfs/dbraw/zinc/17/83/22/554178322.db2.gz SGJBGYXBHKUNPH-WMMMYUQOSA-N -1 0 612.411 6.161 50 30 KKEARM O=C([O-])c1cccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(Nc4ccc([N+](=O)[O-])cc4)n3)o2)c1 ZINC000100033393 554187378 /nfs/dbraw/zinc/18/73/78/554187378.db2.gz MKPZMILRBUICGV-LQKURTRISA-N -1 0 536.508 5.671 50 30 KKEARM CCCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000100063156 554199250 /nfs/dbraw/zinc/19/92/50/554199250.db2.gz OUUIKGYBGUIURH-UHFFFAOYSA-N -1 0 550.703 7.615 50 30 KKEARM FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[N-]c1ccccc1 ZINC000100068891 554200571 /nfs/dbraw/zinc/20/05/71/554200571.db2.gz DXHQCBHTNBRZJT-UHFFFAOYSA-N -1 0 511.175 7.065 50 30 KKEARM CC(=Nc1ccc(Cl)cc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100107312 554220911 /nfs/dbraw/zinc/22/09/11/554220911.db2.gz CIHOKWFEZAISQO-RWPZCVJISA-N -1 0 525.486 7.515 50 30 KKEARM CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N/c1cc(Cl)c([O-])c(Cl)c1 ZINC000100112986 554222515 /nfs/dbraw/zinc/22/25/15/554222515.db2.gz BJEVIXDRCUQESE-XSCUNHFSSA-N -1 0 538.787 5.847 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000100149394 554231293 /nfs/dbraw/zinc/23/12/93/554231293.db2.gz OWWTWKVWUWHRAE-JJIBRWJFSA-N -1 0 564.219 5.434 50 30 KKEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000100235769 554258354 /nfs/dbraw/zinc/25/83/54/554258354.db2.gz IDIQGABVEMSMNO-YZSQISJMSA-N -1 0 561.034 6.111 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000100260908 554265524 /nfs/dbraw/zinc/26/55/24/554265524.db2.gz SHSUMEWQEWNOMG-MCTFBJNISA-N -1 0 533.562 5.505 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000100315366 554302738 /nfs/dbraw/zinc/30/27/38/554302738.db2.gz WAADDVVXDCXRBI-UHFFFAOYSA-N -1 0 624.177 8.503 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100340490 554324968 /nfs/dbraw/zinc/32/49/68/554324968.db2.gz PVKFRVADIZVEJR-JBCNATCCSA-N -1 0 532.312 6.103 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276041 554330503 /nfs/dbraw/zinc/33/05/03/554330503.db2.gz JIMPHZVSIVMXET-ICACTRECSA-N -1 0 584.625 5.256 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053307809 554335511 /nfs/dbraw/zinc/33/55/11/554335511.db2.gz RISMILBXXPONDH-HXUWFJFHSA-N -1 0 571.449 5.491 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319104 554335803 /nfs/dbraw/zinc/33/58/03/554335803.db2.gz BDXQRTMYAOTZAV-HSZRJFAPSA-N -1 0 565.445 6.249 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053319132 554336242 /nfs/dbraw/zinc/33/62/42/554336242.db2.gz ZBHSHRZWOIFKKT-HSZRJFAPSA-N -1 0 565.445 6.249 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053319133 554336362 /nfs/dbraw/zinc/33/63/62/554336362.db2.gz ZBHSHRZWOIFKKT-QHCPKHFHSA-N -1 0 565.445 6.249 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053335290 554340632 /nfs/dbraw/zinc/34/06/32/554340632.db2.gz LZQZQHHAMVRXQN-QHCPKHFHSA-N -1 0 529.530 5.067 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000053337261 554341997 /nfs/dbraw/zinc/34/19/97/554341997.db2.gz OCNRGNXMNIGZBG-NRFANRHFSA-N -1 0 539.382 5.989 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053338737 554342742 /nfs/dbraw/zinc/34/27/42/554342742.db2.gz KRLVJZGMFUJUKE-QFIPXVFZSA-N -1 0 549.948 5.412 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000053339124 554343003 /nfs/dbraw/zinc/34/30/03/554343003.db2.gz PKIBAAPQKOEGNY-ZLOXQWCVSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000053339300 554343574 /nfs/dbraw/zinc/34/35/74/554343574.db2.gz PNNHZIQHDRPYHG-ZLOXQWCVSA-N -1 0 520.969 6.195 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053340146 554343741 /nfs/dbraw/zinc/34/37/41/554343741.db2.gz RQGZFDXKYQFYSC-DEOSSOPVSA-N -1 0 593.455 6.012 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000053339843 554343948 /nfs/dbraw/zinc/34/39/48/554343948.db2.gz ZAVFACRFGUKUQV-HXUWFJFHSA-N -1 0 547.630 6.648 50 30 KKEARM CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c([O-])c(I)c3)S2)cc1 ZINC000053358629 554344974 /nfs/dbraw/zinc/34/49/74/554344974.db2.gz MKWLCLLFDMHFHR-OQLLNIDSSA-N -1 0 545.196 5.050 50 30 KKEARM Oc1c(Br)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000100454876 554395641 /nfs/dbraw/zinc/39/56/41/554395641.db2.gz QVJZOIADXSKKNV-HIWRWHBISA-N -1 0 586.700 9.265 50 30 KKEARM O=C1/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100460407 554397782 /nfs/dbraw/zinc/39/77/82/554397782.db2.gz HADAIILMAKFWOB-ZZSQQICMSA-N -1 0 549.390 5.842 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000100507683 554408122 /nfs/dbraw/zinc/40/81/22/554408122.db2.gz APPIGGSTXAAMEP-ZHZULCJRSA-N -1 0 515.003 5.165 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Br)c1 ZINC000100527780 554410154 /nfs/dbraw/zinc/41/01/54/554410154.db2.gz PBKQLVSKNRJXCD-JJIBRWJFSA-N -1 0 519.222 5.526 50 30 KKEARM CC[C@H](Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[n-]1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000059735661 554427337 /nfs/dbraw/zinc/42/73/37/554427337.db2.gz MTGHGAVCHQLNDR-QFIPXVFZSA-N -1 0 526.643 6.430 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100675298 554443729 /nfs/dbraw/zinc/44/37/29/554443729.db2.gz CCDDFJHGEINEFS-AREMUKBSSA-N -1 0 592.714 6.625 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677208 554444284 /nfs/dbraw/zinc/44/42/84/554444284.db2.gz OVVOIUDJPYTSCC-IBGZPJMESA-N -1 0 549.407 6.165 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000100677306 554444636 /nfs/dbraw/zinc/44/46/36/554444636.db2.gz IPMCHLYSTKERAQ-DEOSSOPVSA-N -1 0 564.660 5.989 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679529 554445274 /nfs/dbraw/zinc/44/52/74/554445274.db2.gz MHCVFDXCDPVPMU-DEOSSOPVSA-N -1 0 562.644 5.683 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100679711 554445677 /nfs/dbraw/zinc/44/56/77/554445677.db2.gz NGELUPZQTKTZKM-QFIPXVFZSA-N -1 0 555.052 6.243 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000100680314 554446416 /nfs/dbraw/zinc/44/64/16/554446416.db2.gz LJAXNBAQJPPBRF-QHCPKHFHSA-N -1 0 567.063 6.410 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100680690 554446781 /nfs/dbraw/zinc/44/67/81/554446781.db2.gz ZRYLZMBCDVNTFW-QFIPXVFZSA-N -1 0 536.606 5.209 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100680403 554446825 /nfs/dbraw/zinc/44/68/25/554446825.db2.gz PLBUWKQJWBYOHP-GDLZYMKVSA-N -1 0 624.715 7.548 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000100681022 554447158 /nfs/dbraw/zinc/44/71/58/554447158.db2.gz MVHIQVMWWQXIGO-XMMPIXPASA-N -1 0 564.660 5.989 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc(F)c2)nc1C ZINC000100681048 554447182 /nfs/dbraw/zinc/44/71/82/554447182.db2.gz BZMOVZCYIHMLOW-QHCPKHFHSA-N -1 0 550.608 5.895 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000100681011 554447217 /nfs/dbraw/zinc/44/72/17/554447217.db2.gz OXDAVLPYEBQXQV-MUUNZHRXSA-N -1 0 634.751 6.944 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100681125 554447226 /nfs/dbraw/zinc/44/72/26/554447226.db2.gz WIIOGEVQCWZQFF-AREMUKBSSA-N -1 0 592.714 6.769 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100681116 554447239 /nfs/dbraw/zinc/44/72/39/554447239.db2.gz JQWULEAHJXJTIP-JOCHJYFZSA-N -1 0 536.606 5.209 50 30 KKEARM CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(Cl)c(S(=O)(=O)[O-])c2)[nH]1 ZINC000100686825 554449509 /nfs/dbraw/zinc/44/95/09/554449509.db2.gz WVUGJBXYJIKLKA-UHFFFAOYSA-N -1 0 513.144 7.941 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100700517 554451684 /nfs/dbraw/zinc/45/16/84/554451684.db2.gz PWMWRHIBNILPFZ-VVEOGCPPSA-N -1 0 526.927 6.429 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)C(C(=O)OCC)=C(C)[O-] ZINC000100740183 554462867 /nfs/dbraw/zinc/46/28/67/554462867.db2.gz DLMPGXNICRORFT-GDLZYMKVSA-N -1 0 502.736 8.278 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000100856246 554493525 /nfs/dbraw/zinc/49/35/25/554493525.db2.gz ZRSVXCWGDFIXQI-XLNRJJMWSA-N -1 0 513.641 5.880 50 30 KKEARM CCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575251 554540273 /nfs/dbraw/zinc/54/02/73/554540273.db2.gz UCMBSKCFYMUJPF-UHFFFAOYSA-N -1 0 505.168 5.522 50 30 KKEARM CCc1ccc2oc(-c3cc(/N=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)ccc3[O-])nc2c1 ZINC000100992007 554550420 /nfs/dbraw/zinc/55/04/20/554550420.db2.gz FDKFBMPOJMUHFU-MWLSYYOVSA-N -1 0 524.489 7.122 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100994646 554550577 /nfs/dbraw/zinc/55/05/77/554550577.db2.gz PDFKUPQRYXMXBE-LVQIJYKZSA-N -1 0 525.989 5.380 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069781 554574109 /nfs/dbraw/zinc/57/41/09/554574109.db2.gz APGDBIZAZADHIX-JBCNATCCSA-N -1 0 584.289 6.756 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000101069823 554574368 /nfs/dbraw/zinc/57/43/68/554574368.db2.gz SKFQXADIGGLKHZ-IAMBOQNYSA-N -1 0 553.865 6.955 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101072818 554576437 /nfs/dbraw/zinc/57/64/37/554576437.db2.gz KFGQBQRKMSZQGW-YDJIHCHBSA-N -1 0 570.262 6.448 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Br)s1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101089870 554581642 /nfs/dbraw/zinc/58/16/42/554581642.db2.gz IGZWBPFTLXSGJT-LFPIHBKWSA-N -1 0 566.502 6.723 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101100215 554587129 /nfs/dbraw/zinc/58/71/29/554587129.db2.gz RVBHOWOBCZWXDF-JBCNATCCSA-N -1 0 523.383 6.133 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101523 554638781 /nfs/dbraw/zinc/63/87/81/554638781.db2.gz YAWLTNFDLSPGAU-LFVOPCPISA-N -1 0 511.422 6.055 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101525 554638814 /nfs/dbraw/zinc/63/88/14/554638814.db2.gz YAWLTNFDLSPGAU-WOOAAIBNSA-N -1 0 511.422 6.055 50 30 KKEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccc(Br)c(C)c3C)c2=O)c(C#N)c1C ZINC000101128400 554646680 /nfs/dbraw/zinc/64/66/80/554646680.db2.gz FYZJNXAFRDMVPK-MHWRWJLKSA-N -1 0 501.406 5.203 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000101277583 554703842 /nfs/dbraw/zinc/70/38/42/554703842.db2.gz IJXORONBYHLPQB-JBCNATCCSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000101278226 554704866 /nfs/dbraw/zinc/70/48/66/554704866.db2.gz LJXBQFNXDZLCPG-SJKYFALESA-N -1 0 551.020 5.397 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316817 554723866 /nfs/dbraw/zinc/72/38/66/554723866.db2.gz LREGSNNFTZKAQQ-UUALVTFQSA-N -1 0 613.717 6.101 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316866 554724154 /nfs/dbraw/zinc/72/41/54/554724154.db2.gz RUCPSDDNCMCQQJ-CZNAVJSXSA-N -1 0 617.680 5.932 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316977 554724383 /nfs/dbraw/zinc/72/43/83/554724383.db2.gz XPIZKVVEMNGGDW-NSOCNUKWSA-N -1 0 615.708 6.484 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101337930 554734546 /nfs/dbraw/zinc/73/45/46/554734546.db2.gz UHAWFSTZUVECJM-HSZRJFAPSA-N -1 0 578.071 5.958 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338289 554734852 /nfs/dbraw/zinc/73/48/52/554734852.db2.gz GAYRNVZLIZHZPE-VWLOTQADSA-N -1 0 610.132 7.503 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000101477906 554782909 /nfs/dbraw/zinc/78/29/09/554782909.db2.gz UWYDGWBYHRPGGQ-BYNJWEBRSA-N -1 0 510.535 5.140 50 30 KKEARM COc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccccc4C(=O)[O-])o3)nc(NCc3ccco3)[nH]2)cc1 ZINC000101630205 554811703 /nfs/dbraw/zinc/81/17/03/554811703.db2.gz AQPGQSQAYITTLV-MUFRIFMGSA-N -1 0 525.525 5.233 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S/C2=N/c2ccccc2)cc1 ZINC000101643725 554814744 /nfs/dbraw/zinc/81/47/44/554814744.db2.gz NQQHETRREFBXAL-FYDOWJRZSA-N -1 0 549.435 7.756 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052387 554871646 /nfs/dbraw/zinc/87/16/46/554871646.db2.gz NDHSEQCYZFUFDA-GPNASLBKSA-N -1 0 587.701 7.478 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Cl)c1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053300 554872079 /nfs/dbraw/zinc/87/20/79/554872079.db2.gz SBKKXDRXMGLBPF-MYYSRTQBSA-N -1 0 550.467 7.205 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N/N=c2/sc3ccccc3n2CC)cc1C(=O)[O-] ZINC000102096272 554879408 /nfs/dbraw/zinc/87/94/08/554879408.db2.gz XXUHIDXFLTXSPO-XAHDOWKMSA-N -1 0 645.932 8.855 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175781 554892235 /nfs/dbraw/zinc/89/22/35/554892235.db2.gz XPXUFOMOANETTO-AREMUKBSSA-N -1 0 557.628 5.621 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486303 554938313 /nfs/dbraw/zinc/93/83/13/554938313.db2.gz CJVFMMABZHQILG-NXLSWJSLSA-N -1 0 540.597 6.047 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102490382 554939161 /nfs/dbraw/zinc/93/91/61/554939161.db2.gz IFSVEJQOOGPGNA-HOGKFDNTSA-N -1 0 501.520 5.230 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102492695 554939667 /nfs/dbraw/zinc/93/96/67/554939667.db2.gz YBQVQYLVYJCDLL-LFVOPCPISA-N -1 0 501.347 5.831 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102497828 554941345 /nfs/dbraw/zinc/94/13/45/554941345.db2.gz XGBMXZZBMBSLDT-CJJGVWJISA-N -1 0 557.628 5.377 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102516431 554947903 /nfs/dbraw/zinc/94/79/03/554947903.db2.gz WMLMBYQJSGNEJP-MRJHHRETSA-N -1 0 522.604 5.400 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102521449 554949577 /nfs/dbraw/zinc/94/95/77/554949577.db2.gz YWAQSWVWZOQZJS-MOBKVPTQSA-N -1 0 506.967 5.593 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102525525 554951872 /nfs/dbraw/zinc/95/18/72/554951872.db2.gz RVXIVDUNPJAPIQ-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529497 554953384 /nfs/dbraw/zinc/95/33/84/554953384.db2.gz IFVPGPZEVCVFRF-SBXHHDGASA-N -1 0 517.050 7.182 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000102529906 554953391 /nfs/dbraw/zinc/95/33/91/554953391.db2.gz FMXTZSCKNSSJGD-MRJHHRETSA-N -1 0 514.987 5.065 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102529802 554953480 /nfs/dbraw/zinc/95/34/80/554953480.db2.gz JGRLGPOEBKOMGG-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102538611 554956584 /nfs/dbraw/zinc/95/65/84/554956584.db2.gz HQZUPFCNRJSYNK-HOGKFDNTSA-N -1 0 520.538 5.088 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102543405 554958095 /nfs/dbraw/zinc/95/80/95/554958095.db2.gz YLISPRCIUZJYFG-ZHHPLPSFSA-N -1 0 506.530 5.990 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102548972 554960849 /nfs/dbraw/zinc/96/08/49/554960849.db2.gz IPAUEBUFQPGGIC-KYWXLPDZSA-N -1 0 565.420 6.148 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102551373 554961858 /nfs/dbraw/zinc/96/18/58/554961858.db2.gz JJQBQLNPHNFHHE-FSISNWKMSA-N -1 0 516.550 5.394 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102553207 554963080 /nfs/dbraw/zinc/96/30/80/554963080.db2.gz XZEZMCJRVHOXJK-NXLSWJSLSA-N -1 0 532.021 6.014 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102553217 554963165 /nfs/dbraw/zinc/96/31/65/554963165.db2.gz XZEZMCJRVHOXJK-SBXHHDGASA-N -1 0 532.021 6.014 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102561383 554968247 /nfs/dbraw/zinc/96/82/47/554968247.db2.gz OETAVJMTLHDUOL-AYWGPLOBSA-N -1 0 562.987 5.134 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586924 554973586 /nfs/dbraw/zinc/97/35/86/554973586.db2.gz UWEMSYGHMCMYAO-SBXHHDGASA-N -1 0 548.617 5.231 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102588428 554973601 /nfs/dbraw/zinc/97/36/01/554973601.db2.gz RZMFZJNXDCJEBC-HOGKFDNTSA-N -1 0 528.439 5.257 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102591970 554974205 /nfs/dbraw/zinc/97/42/05/554974205.db2.gz CSKNSVKEPCQGTQ-ZHHPLPSFSA-N -1 0 578.071 5.881 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102597687 554977180 /nfs/dbraw/zinc/97/71/80/554977180.db2.gz VDVWQKUZTPBCGH-CZNAVJSXSA-N -1 0 603.697 6.490 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606078 554978785 /nfs/dbraw/zinc/97/87/85/554978785.db2.gz MDOXMGKFDWYYDC-OWJWWREXSA-N -1 0 535.622 5.140 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102606415 554979347 /nfs/dbraw/zinc/97/93/47/554979347.db2.gz MGRGHVLODSFFMD-MOBKVPTQSA-N -1 0 528.439 5.257 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000102650739 554995545 /nfs/dbraw/zinc/99/55/45/554995545.db2.gz DKDFIBVSLPAKMF-DFXXOVSGSA-N -1 0 628.703 6.159 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102650956 554995673 /nfs/dbraw/zinc/99/56/73/554995673.db2.gz XDVKSIDDZUKSEI-AMKIGSDESA-N -1 0 620.152 6.832 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102654779 554997612 /nfs/dbraw/zinc/99/76/12/554997612.db2.gz IFWYFQMLXCWIDV-NPJIAGGLSA-N -1 0 526.570 5.120 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102655232 554998063 /nfs/dbraw/zinc/99/80/63/554998063.db2.gz RSCQKEAXOBTMHN-XLNMUAQOSA-N -1 0 504.514 5.524 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102655745 554998690 /nfs/dbraw/zinc/99/86/90/554998690.db2.gz BLYHBIIIFSMMKQ-KNZGKXHUSA-N -1 0 577.456 6.017 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102657569 554999635 /nfs/dbraw/zinc/99/96/35/554999635.db2.gz HVTOXUZYSRLQCF-BBHOXHGRSA-N -1 0 577.634 6.058 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102663144 555000935 /nfs/dbraw/zinc/00/09/35/555000935.db2.gz HIIWMOVEWZBIAO-QNIVJUIWSA-N -1 0 589.670 5.928 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102680770 555005271 /nfs/dbraw/zinc/00/52/71/555005271.db2.gz JHQYXTFUCUPEGS-WKUSSTJHSA-N -1 0 609.704 7.072 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102705533 555014324 /nfs/dbraw/zinc/01/43/24/555014324.db2.gz BXPWCXLDGWWVNQ-SBXHHDGASA-N -1 0 530.602 5.565 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102706340 555014779 /nfs/dbraw/zinc/01/47/79/555014779.db2.gz WWNUFPQPKPOTPJ-AYWGPLOBSA-N -1 0 504.564 5.485 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102712997 555017368 /nfs/dbraw/zinc/01/73/68/555017368.db2.gz IAHOWCDSXORBHR-RXDXAXPSSA-N -1 0 540.685 7.154 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102715257 555018309 /nfs/dbraw/zinc/01/83/09/555018309.db2.gz QRKDZDIQXVURDW-NXLSWJSLSA-N -1 0 528.586 5.280 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102719664 555019606 /nfs/dbraw/zinc/01/96/06/555019606.db2.gz BBYFYJCAKZJUCJ-UUALVTFQSA-N -1 0 526.658 7.007 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102727588 555022274 /nfs/dbraw/zinc/02/22/74/555022274.db2.gz NRWNMUDAERHPCO-IUKMQXEJSA-N -1 0 526.416 5.949 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736973 555026402 /nfs/dbraw/zinc/02/64/02/555026402.db2.gz TWAIIZIRKRLBJO-KNZGKXHUSA-N -1 0 543.557 5.163 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771061 555059472 /nfs/dbraw/zinc/05/94/72/555059472.db2.gz KMCXZOAGTOMQQS-YMCWBSDSSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771103 555059505 /nfs/dbraw/zinc/05/95/05/555059505.db2.gz KSIJWZJCDYZFEB-KYWXLPDZSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771105 555059664 /nfs/dbraw/zinc/05/96/64/555059664.db2.gz KSIJWZJCDYZFEB-FECHNCLXSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771315 555059997 /nfs/dbraw/zinc/05/99/97/555059997.db2.gz PBDLXELTLIFQJU-HALAOQOWSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771313 555060021 /nfs/dbraw/zinc/06/00/21/555060021.db2.gz PBDLXELTLIFQJU-AIKCTZLLSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771278 555060034 /nfs/dbraw/zinc/06/00/34/555060034.db2.gz UHFASTFAGTWKTI-KYWXLPDZSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771481 555060549 /nfs/dbraw/zinc/06/05/49/555060549.db2.gz CCBGHMPPSNXIIF-YFFBQLFZSA-N -1 0 503.967 5.294 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102858561 555089423 /nfs/dbraw/zinc/08/94/23/555089423.db2.gz YMBNEOINHJREEW-SBXHHDGASA-N -1 0 564.591 5.486 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102862119 555091991 /nfs/dbraw/zinc/09/19/91/555091991.db2.gz YNXNAERUWKKEIF-SELCWUDQSA-N -1 0 545.386 5.156 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102864038 555093916 /nfs/dbraw/zinc/09/39/16/555093916.db2.gz ILRGDLKXEMXSOJ-YDJIHCHBSA-N -1 0 508.577 5.010 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864208 555093980 /nfs/dbraw/zinc/09/39/80/555093980.db2.gz MQVHEJDUCDJWAH-ZHHPLPSFSA-N -1 0 520.563 5.240 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102864828 555094612 /nfs/dbraw/zinc/09/46/12/555094612.db2.gz AMEPQPFNJFOPTN-MRJHHRETSA-N -1 0 529.401 6.530 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102866619 555095954 /nfs/dbraw/zinc/09/59/54/555095954.db2.gz MXNQFRHJFVTNSA-NXLSWJSLSA-N -1 0 532.549 5.232 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867411 555097019 /nfs/dbraw/zinc/09/70/19/555097019.db2.gz GOBMUBCWDWJZOW-PEHBIRLUSA-N -1 0 577.058 6.307 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102869557 555099188 /nfs/dbraw/zinc/09/91/88/555099188.db2.gz XPCBWLLEHBDHQP-SBXHHDGASA-N -1 0 510.974 5.696 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869814 555099521 /nfs/dbraw/zinc/09/95/21/555099521.db2.gz WBBIIJQFWQLFFX-AMKIGSDESA-N -1 0 603.697 6.318 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869809 555099573 /nfs/dbraw/zinc/09/95/73/555099573.db2.gz WBBIIJQFWQLFFX-XVTRYDTASA-N -1 0 603.697 6.318 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102873311 555103797 /nfs/dbraw/zinc/10/37/97/555103797.db2.gz IPTYXWNFCDBMMH-ZHHPLPSFSA-N -1 0 596.042 5.472 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000102873582 555103996 /nfs/dbraw/zinc/10/39/96/555103996.db2.gz UCXPQNOVRRRXOA-IUKMQXEJSA-N -1 0 536.422 5.405 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102875189 555105332 /nfs/dbraw/zinc/10/53/32/555105332.db2.gz YNFCWIWTHXVRDG-YDJIHCHBSA-N -1 0 513.384 5.148 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102877094 555106709 /nfs/dbraw/zinc/10/67/09/555106709.db2.gz SCWVRJULSSSSQR-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102878009 555107270 /nfs/dbraw/zinc/10/72/70/555107270.db2.gz RJWQLXKFHFKMKR-NHFXJNLRSA-N -1 0 525.380 5.677 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102879276 555108477 /nfs/dbraw/zinc/10/84/77/555108477.db2.gz QETZONOYERPLCG-MOBKVPTQSA-N -1 0 569.864 6.737 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102880204 555109338 /nfs/dbraw/zinc/10/93/38/555109338.db2.gz ZJQCJLNECVXKFM-AYWGPLOBSA-N -1 0 567.019 5.610 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102883734 555112285 /nfs/dbraw/zinc/11/22/85/555112285.db2.gz MEORUSPHMAHIQN-HOGKFDNTSA-N -1 0 535.965 5.883 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102884589 555113747 /nfs/dbraw/zinc/11/37/47/555113747.db2.gz OTYQBVWJKGCCTI-JFTLGNCFSA-N -1 0 530.577 5.784 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102884584 555113834 /nfs/dbraw/zinc/11/38/34/555113834.db2.gz OTYQBVWJKGCCTI-CGKJMNDRSA-N -1 0 530.577 5.784 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102884835 555114490 /nfs/dbraw/zinc/11/44/90/555114490.db2.gz TZIJMQVEUDOCRO-SBXHHDGASA-N -1 0 559.556 5.001 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887139 555118220 /nfs/dbraw/zinc/11/82/20/555118220.db2.gz NYLLOEADLPERFC-XVTRYDTASA-N -1 0 603.697 6.318 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102887434 555119224 /nfs/dbraw/zinc/11/92/24/555119224.db2.gz SQBOGJXESIFOPF-TVXPFAQOSA-N -1 0 606.697 5.765 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887360 555119251 /nfs/dbraw/zinc/11/92/51/555119251.db2.gz MXSGMNPGGXBBAC-VMFRQMAUSA-N -1 0 629.760 6.578 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102887788 555120115 /nfs/dbraw/zinc/12/01/15/555120115.db2.gz SEEXHYXBJFGPBG-WBMUNJTESA-N -1 0 617.680 5.706 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888263 555121075 /nfs/dbraw/zinc/12/10/75/555121075.db2.gz FWTOIUXJIIMMQG-XCSSDTEYSA-N -1 0 613.717 5.875 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888407 555121513 /nfs/dbraw/zinc/12/15/13/555121513.db2.gz XRNRSNMWIIYLNP-HWTUVFLMSA-N -1 0 621.740 6.942 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102889387 555123600 /nfs/dbraw/zinc/12/36/00/555123600.db2.gz TXISKOCCAGBZAZ-HVESIFNPSA-N -1 0 503.363 5.171 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102889932 555124402 /nfs/dbraw/zinc/12/44/02/555124402.db2.gz WHZKVPIMTSBJRT-HOGKFDNTSA-N -1 0 573.841 6.654 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102890204 555125214 /nfs/dbraw/zinc/12/52/14/555125214.db2.gz FSTCOWDZGYXJGX-MOBKVPTQSA-N -1 0 553.865 6.901 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102890349 555125627 /nfs/dbraw/zinc/12/56/27/555125627.db2.gz DSHCOBGEDNIMMA-SBXHHDGASA-N -1 0 593.455 5.855 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102891275 555126835 /nfs/dbraw/zinc/12/68/35/555126835.db2.gz WHNOHZHOTSMXOM-IUKMQXEJSA-N -1 0 506.555 5.196 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccnc3)s2)cc1 ZINC000102891596 555127424 /nfs/dbraw/zinc/12/74/24/555127424.db2.gz DRKSCGZGPALDEJ-MRJHHRETSA-N -1 0 500.605 5.160 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893108 555129930 /nfs/dbraw/zinc/12/99/30/555129930.db2.gz QPJQNKNTCAZHCV-QNIVJUIWSA-N -1 0 617.680 5.706 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893109 555129966 /nfs/dbraw/zinc/12/99/66/555129966.db2.gz QPJQNKNTCAZHCV-WBMUNJTESA-N -1 0 617.680 5.706 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102924855 555148920 /nfs/dbraw/zinc/14/89/20/555148920.db2.gz AEAFWBKWOPEMAN-MRJHHRETSA-N -1 0 505.508 5.131 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102924899 555149143 /nfs/dbraw/zinc/14/91/43/555149143.db2.gz NQDQTGWJSDFPSV-HOGKFDNTSA-N -1 0 553.409 6.223 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102926123 555150286 /nfs/dbraw/zinc/15/02/86/555150286.db2.gz IAEGKQNLYNUREC-ZHHPLPSFSA-N -1 0 536.631 5.790 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102928069 555153162 /nfs/dbraw/zinc/15/31/62/555153162.db2.gz RALBTBBYGJFSEQ-JBCNATCCSA-N -1 0 508.577 5.010 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102929501 555155274 /nfs/dbraw/zinc/15/52/74/555155274.db2.gz PFKLJEKUFRRYAV-WOOAAIBNSA-N -1 0 514.719 5.032 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102930829 555158003 /nfs/dbraw/zinc/15/80/03/555158003.db2.gz JQASGVCHFAMTIU-SBXHHDGASA-N -1 0 532.021 6.014 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102931491 555159244 /nfs/dbraw/zinc/15/92/44/555159244.db2.gz IZUQYWHESBHWDM-CZNAVJSXSA-N -1 0 603.096 6.795 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000102937659 555165725 /nfs/dbraw/zinc/16/57/25/555165725.db2.gz DLNQMQIWCHMUFB-RUZDIDTESA-N -1 0 621.649 5.080 50 30 KKEARM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N(CC)CC)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000102971999 555181911 /nfs/dbraw/zinc/18/19/11/555181911.db2.gz JMMZFYORIQSJKO-UHFFFAOYSA-N -1 0 550.725 6.432 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100735753 571361149 /nfs/dbraw/zinc/36/11/49/571361149.db2.gz FGAKELFPMCSZEV-HSZRJFAPSA-N -1 0 566.632 5.135 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000103928936 571370134 /nfs/dbraw/zinc/37/01/34/571370134.db2.gz ZPBGISYAMUSIJQ-YDJIHCHBSA-N -1 0 571.449 5.334 50 30 KKEARM Cc1ccccc1NC(=O)c1cc2ccccc2c(/C=N/c2c(Cl)cccc2S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1[O-] ZINC000150353938 571462878 /nfs/dbraw/zinc/46/28/78/571462878.db2.gz YGSQXXBQQKZITQ-JAVCYFNSSA-N -1 0 646.968 8.074 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150387090 571469774 /nfs/dbraw/zinc/46/97/74/571469774.db2.gz WQMWNXHUUDIZBP-DFXXOVSGSA-N -1 0 663.749 6.555 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000150391958 571474284 /nfs/dbraw/zinc/47/42/84/571474284.db2.gz DLKSEEIAABETHR-CZNAVJSXSA-N -1 0 647.547 6.904 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1[O-] ZINC000150392533 571474561 /nfs/dbraw/zinc/47/45/61/571474561.db2.gz IEFFVILQTIBANA-UHFFFAOYSA-N -1 0 751.994 11.263 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000150400444 571477995 /nfs/dbraw/zinc/47/79/95/571477995.db2.gz CXPSNTBZOHAGFL-JBASAIQMSA-N -1 0 660.189 7.317 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(F)cc1 ZINC000150404460 571479075 /nfs/dbraw/zinc/47/90/75/571479075.db2.gz GTTUEWUXBJEJFL-MHZLTWQESA-N -1 0 650.782 8.338 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150414020 571484938 /nfs/dbraw/zinc/48/49/38/571484938.db2.gz PYXGHWHTBGYKHT-YTTGMZPUSA-N -1 0 659.764 9.006 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150417769 571486316 /nfs/dbraw/zinc/48/63/16/571486316.db2.gz GJHYBIOBKMKZGX-UUALVTFQSA-N -1 0 700.622 7.332 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422198 571488063 /nfs/dbraw/zinc/48/80/63/571488063.db2.gz ATQWIISOWXZCHV-JHRPXHEESA-N -1 0 699.810 7.960 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422213 571488203 /nfs/dbraw/zinc/48/82/03/571488203.db2.gz ZFEYBRVWBRBPHQ-QMMFTLRZSA-N -1 0 684.195 7.460 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424582 571489153 /nfs/dbraw/zinc/48/91/53/571489153.db2.gz XJUWVZQRZBIWQF-RIEKNRFYSA-N -1 0 689.831 7.743 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000150424594 571489322 /nfs/dbraw/zinc/48/93/22/571489322.db2.gz XJUWVZQRZBIWQF-NNZNMFTDSA-N -1 0 689.831 7.743 50 30 KKEARM CCCCN(CCCC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CCCC)CCCC)cc1[N+](=O)[O-])C2=N[O-] ZINC000150425773 571490079 /nfs/dbraw/zinc/49/00/79/571490079.db2.gz LZBGPBGRMBWBFP-UHFFFAOYSA-N -1 0 667.807 5.892 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426649 571490879 /nfs/dbraw/zinc/49/08/79/571490879.db2.gz MWQIIKDOJYSFOA-HWTUVFLMSA-N -1 0 649.750 6.720 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426560 571490927 /nfs/dbraw/zinc/49/09/27/571490927.db2.gz FACPDLLUUXPGRE-SBXHHDGASA-N -1 0 670.552 6.321 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426808 571491067 /nfs/dbraw/zinc/49/10/67/571491067.db2.gz UECPOOLZHDSPEC-NXLSWJSLSA-N -1 0 636.107 5.668 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426791 571491102 /nfs/dbraw/zinc/49/11/02/571491102.db2.gz GOCQOEBYHGTZJY-FSDXSRJSSA-N -1 0 634.135 6.220 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccco1 ZINC000150432979 571494433 /nfs/dbraw/zinc/49/44/33/571494433.db2.gz IAJQWDXUZBIWKP-HXUWFJFHSA-N -1 0 616.427 5.023 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)nc1C ZINC000150434361 571494891 /nfs/dbraw/zinc/49/48/91/571494891.db2.gz AYVFXOCAIZPHDO-GDLZYMKVSA-N -1 0 648.778 7.190 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435598 571495591 /nfs/dbraw/zinc/49/55/91/571495591.db2.gz PMSLSEYZZZLOFU-KVKFUISSSA-N -1 0 741.891 8.911 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439902 571497479 /nfs/dbraw/zinc/49/74/79/571497479.db2.gz VYFRXGUGTUNNRV-HTDBSKDNSA-N -1 0 726.276 8.411 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150445300 571500387 /nfs/dbraw/zinc/50/03/87/571500387.db2.gz DUCWJVUCEVKFER-UUALVTFQSA-N -1 0 636.723 5.849 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445731 571500714 /nfs/dbraw/zinc/50/07/14/571500714.db2.gz QXFMDUZJAZNDKG-VMFRQMAUSA-N -1 0 631.751 7.098 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453784 571503754 /nfs/dbraw/zinc/50/37/54/571503754.db2.gz PFKKDRXKPJAABF-LXIOPLLASA-N -1 0 637.508 6.121 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454006 571503805 /nfs/dbraw/zinc/50/38/05/571503805.db2.gz HISKGDICXHCIRS-CDXXWDJZSA-N -1 0 697.838 8.512 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453849 571503822 /nfs/dbraw/zinc/50/38/22/571503822.db2.gz GKIJUJGYQGTAPL-KFLIVHAJSA-N -1 0 650.709 6.680 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457083 571504775 /nfs/dbraw/zinc/50/47/75/571504775.db2.gz LWZQMYQLJRPHKJ-QMDVFYPZSA-N -1 0 659.761 6.883 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457703 571505046 /nfs/dbraw/zinc/50/50/46/571505046.db2.gz MKHIVYJSBDUFCO-DDLSXHCZSA-N -1 0 692.259 8.011 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457969 571505240 /nfs/dbraw/zinc/50/52/40/571505240.db2.gz LCLFXFGTOJEZFG-QJGFIUGVSA-N -1 0 643.787 6.968 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458707 571505479 /nfs/dbraw/zinc/50/54/79/571505479.db2.gz CSMVLPGZCSFUOR-GSYBUTJLSA-N -1 0 655.798 7.052 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458122 571505525 /nfs/dbraw/zinc/50/55/25/571505525.db2.gz HXNLTSRGMGIPIT-ZCCBWQDPSA-N -1 0 661.805 7.668 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150459434 571505673 /nfs/dbraw/zinc/50/56/73/571505673.db2.gz MGBFBEXJEZOLBN-RJIUIVJKSA-N -1 0 672.759 8.100 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460302 571505897 /nfs/dbraw/zinc/50/58/97/571505897.db2.gz PSQUSMYICFTOTI-DDLSXHCZSA-N -1 0 692.259 8.011 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460652 571506028 /nfs/dbraw/zinc/50/60/28/571506028.db2.gz LXHVFFQYHQIHKY-PSXXPYPYSA-N -1 0 707.874 8.511 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460629 571506046 /nfs/dbraw/zinc/50/60/46/571506046.db2.gz JKLBPGVAZJASOH-TVKWNQJWSA-N -1 0 641.815 7.513 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000150460509 571506219 /nfs/dbraw/zinc/50/62/19/571506219.db2.gz XUHBUAZGIZRTQC-WTPDXTQDSA-N -1 0 627.900 6.376 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462865 571506722 /nfs/dbraw/zinc/50/67/22/571506722.db2.gz ZVYZBUBZZSZXNM-DDLSXHCZSA-N -1 0 675.804 7.497 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463180 571506883 /nfs/dbraw/zinc/50/68/83/571506883.db2.gz IJVXLJJBEOTLQE-DNNDWWBDSA-N -1 0 645.778 7.344 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463877 571507561 /nfs/dbraw/zinc/50/75/61/571507561.db2.gz GHIQIZFTIAXKMO-ICQXDZJJSA-N -1 0 657.814 7.358 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150467451 571508041 /nfs/dbraw/zinc/50/80/41/571508041.db2.gz ALDPAEAXLISTFZ-TXTDGAROSA-N -1 0 643.743 6.191 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150473617 571510389 /nfs/dbraw/zinc/51/03/89/571510389.db2.gz FCQKMIILEQPXIK-WGGXKBPPSA-N -1 0 694.231 7.459 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475834 571510857 /nfs/dbraw/zinc/51/08/57/571510857.db2.gz LAOGLNRQSDBICE-YSJQHINGSA-N -1 0 740.731 9.055 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150475837 571510875 /nfs/dbraw/zinc/51/08/75/571510875.db2.gz LAOGLNRQSDBICE-SMOAUKQDSA-N -1 0 740.731 9.055 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150476588 571511036 /nfs/dbraw/zinc/51/10/36/571511036.db2.gz VUPPKRKZTNDVJT-KFLIVHAJSA-N -1 0 679.820 7.806 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150479359 571511568 /nfs/dbraw/zinc/51/15/68/571511568.db2.gz RJIKOQZFJBKBTK-TXTDGAROSA-N -1 0 647.750 6.936 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150482910 571513673 /nfs/dbraw/zinc/51/36/73/571513673.db2.gz XRYRFNCECYHCES-DFXXOVSGSA-N -1 0 647.750 6.792 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485494 571515860 /nfs/dbraw/zinc/51/58/60/571515860.db2.gz VULMHLJPDSBQAW-PMERELPUSA-N -1 0 690.872 8.987 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486365 571516409 /nfs/dbraw/zinc/51/64/09/571516409.db2.gz WGGTVAGDGFMINY-YZUJGMDRSA-N -1 0 726.704 8.665 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486757 571516563 /nfs/dbraw/zinc/51/65/63/571516563.db2.gz OFJQFMSNVJIRTN-LOTNQUKISA-N -1 0 716.668 8.666 50 30 KKEARM CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1O[C@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)[O-])[C@@H]1OC(C)=O ZINC000150652899 571525507 /nfs/dbraw/zinc/52/55/07/571525507.db2.gz PDZXTOLVIHFLGP-QVNUSXQVSA-N -1 0 690.919 6.601 50 30 biogenic KKEARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c1=2)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000150664058 571528433 /nfs/dbraw/zinc/52/84/33/571528433.db2.gz JDRWLVAGSXHNPM-JNDPWWRYSA-N -1 0 670.545 5.777 50 30 KKEARM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C#N)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226873315 572144740 /nfs/dbraw/zinc/14/47/40/572144740.db2.gz GZCWSEBHFBQBQX-UPRLRBBYSA-N -1 0 511.578 5.187 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000242522148 572197876 /nfs/dbraw/zinc/19/78/76/572197876.db2.gz IJDRCJGYWUCJTR-IZRIOHMISA-N -1 0 828.109 8.619 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000252462113 572261294 /nfs/dbraw/zinc/26/12/94/572261294.db2.gz PUESMGTUNCMNRY-UHFFFAOYSA-N -1 0 522.417 6.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(Cl)c4C)c3=O)n2)cc1 ZINC000252463046 572261325 /nfs/dbraw/zinc/26/13/25/572261325.db2.gz YKQHAXNONXHKBR-UHFFFAOYSA-N -1 0 501.999 6.000 50 30 KKEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252462723 572261345 /nfs/dbraw/zinc/26/13/45/572261345.db2.gz VQENNMBEFLAKGP-UHFFFAOYSA-N -1 0 502.943 5.591 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000252591154 572266655 /nfs/dbraw/zinc/26/66/55/572266655.db2.gz AYBVTCUUMHGCGU-UHFFFAOYSA-N -1 0 506.581 7.129 50 30 KKEARM COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000252594538 572266930 /nfs/dbraw/zinc/26/69/30/572266930.db2.gz BTHUGKQGXIIZRN-UHFFFAOYSA-N -1 0 502.162 6.485 50 30 KKEARM COc1cc(Cl)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000252608347 572268078 /nfs/dbraw/zinc/26/80/78/572268078.db2.gz HJOUILIFUHFNSR-RELFFPTMSA-N -1 0 508.983 5.860 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCC(=O)[O-] ZINC000252616126 572268758 /nfs/dbraw/zinc/26/87/58/572268758.db2.gz JXICLLZRGVIRCQ-NCOATLISSA-N -1 0 571.655 5.885 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=Nc2ccccc2)cc1 ZINC000252622206 572269609 /nfs/dbraw/zinc/26/96/09/572269609.db2.gz NQQHETRREFBXAL-NZBZHXDCSA-N -1 0 549.435 7.756 50 30 KKEARM COc1cc(/C=C2\SC(=Nc3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)ccc1OCC(=O)[O-] ZINC000252621737 572269664 /nfs/dbraw/zinc/26/96/64/572269664.db2.gz NFUSLVBCZPEKII-BXFRJJNSSA-N -1 0 516.619 6.201 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=Nc2ccccc2)cc1 ZINC000252624058 572270123 /nfs/dbraw/zinc/27/01/23/572270123.db2.gz PFFWCQPOOTXNED-TVWUMHKZSA-N -1 0 556.381 5.499 50 30 KKEARM N#Cc1c2c(sc1N=Cc1cc(Br)cc(Br)c1[O-])CN(Cc1ccccc1)CC2 ZINC000252626050 572270558 /nfs/dbraw/zinc/27/05/58/572270558.db2.gz QVBRHRLFFRLVFW-UHFFFAOYSA-N -1 0 531.273 6.159 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000252628750 572271045 /nfs/dbraw/zinc/27/10/45/572271045.db2.gz SWVZQWUCPDLETA-UHFFFAOYSA-N -1 0 575.035 10.390 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(NCc3ccco3)n2)cc1 ZINC000252640003 572272197 /nfs/dbraw/zinc/27/21/97/572272197.db2.gz YPHQABTZFTWPLO-UHFFFAOYSA-N -1 0 589.248 5.506 50 30 KKEARM COc1ccccc1[C@H](CNC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1c[nH]c2ccccc21 ZINC000253399060 572284667 /nfs/dbraw/zinc/28/46/67/572284667.db2.gz COPMMUABHNCDCQ-QVYSEMLRSA-N -1 0 592.648 5.480 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)[C@H]3CCOC(C)(C)C3)C1=O)O2 ZINC000253404728 572286075 /nfs/dbraw/zinc/28/60/75/572286075.db2.gz HYCNKKGGDFCLBZ-ZLZRCYAOSA-N -1 0 567.723 5.806 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)[C@@H]3CCOC(C)(C)C3)C1=O)O2 ZINC000253404718 572286112 /nfs/dbraw/zinc/28/61/12/572286112.db2.gz HYCNKKGGDFCLBZ-LPNUNGKUSA-N -1 0 567.723 5.806 50 30 KKEARM COc1ccc([C@@H](CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000253406219 572286227 /nfs/dbraw/zinc/28/62/27/572286227.db2.gz ITYYJQRGOHGCIZ-WPHUZWFUSA-N -1 0 606.675 5.789 50 30 KKEARM Cn1cc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c2ccccc21 ZINC000253412110 572287821 /nfs/dbraw/zinc/28/78/21/572287821.db2.gz PXIQSTQKIQUNML-BAAUMNHKSA-N -1 0 531.520 6.194 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)C1=O)O2 ZINC000253414421 572288916 /nfs/dbraw/zinc/28/89/16/572288916.db2.gz XLLCZKSDIVPBCY-XHQZAPCNSA-N -1 0 611.779 6.992 50 30 KKEARM C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@H](O)[C@@H]1O ZINC000253487125 572290208 /nfs/dbraw/zinc/29/02/08/572290208.db2.gz FMRFCBBDHDGKKZ-BRKPYIKASA-N -1 0 600.837 6.294 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(Cc3cc(C)cc(C)c3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000253488029 572291130 /nfs/dbraw/zinc/29/11/30/572291130.db2.gz VSXAFEPYVMYOJE-LASYNVCASA-N -1 0 813.941 5.860 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253498581 572292717 /nfs/dbraw/zinc/29/27/17/572292717.db2.gz APYIVIUDKTVWSJ-LLVHTVDZSA-N -1 0 548.724 5.902 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501601 572294733 /nfs/dbraw/zinc/29/47/33/572294733.db2.gz MGUKBGMXAHYHQC-COCLOFAXSA-N -1 0 546.708 5.061 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253502308 572295412 /nfs/dbraw/zinc/29/54/12/572295412.db2.gz BVRXYKXINDXTNL-GCKTUOKFSA-N -1 0 564.723 5.017 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253529388 572297928 /nfs/dbraw/zinc/29/79/28/572297928.db2.gz YWLYGSSMGSIXLN-PXLYCGAXSA-N -1 0 670.851 5.120 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533121 572299224 /nfs/dbraw/zinc/29/92/24/572299224.db2.gz APYIVIUDKTVWSJ-DKIFETAVSA-N -1 0 548.724 5.902 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533123 572299235 /nfs/dbraw/zinc/29/92/35/572299235.db2.gz APYIVIUDKTVWSJ-NWWBNWMXSA-N -1 0 548.724 5.902 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=NOCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533409 572299432 /nfs/dbraw/zinc/29/94/32/572299432.db2.gz JWCOSNOSGWGQBB-IFKIPTHDSA-N -1 0 520.670 5.542 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533912 572299734 /nfs/dbraw/zinc/29/97/34/572299734.db2.gz UOROQCUKQLETSA-RFXFNYCOSA-N -1 0 577.722 5.072 50 30 KKEARM C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000254305689 572302349 /nfs/dbraw/zinc/30/23/49/572302349.db2.gz VDUIMSYELFBSAE-UHFFFAOYSA-N -1 0 512.060 5.496 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000254764570 572303527 /nfs/dbraw/zinc/30/35/27/572303527.db2.gz MBZDNWOFYBFREC-MRFARIQKSA-N -1 0 893.184 14.115 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000254924550 1069727800 /nfs/dbraw/zinc/72/78/00/1069727800.db2.gz OUORINNMKWZZJJ-UHFFFAOYSA-N -1 0 568.615 5.703 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)[O-])o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731125 1069832520 /nfs/dbraw/zinc/83/25/20/1069832520.db2.gz KUEGPZQMYTVPSR-JIFYINTFSA-N -1 0 610.999 5.397 50 30 KKEARM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])CC/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000102944842 1070981759 /nfs/dbraw/zinc/98/17/59/1070981759.db2.gz KNTODSPKTQNBLZ-INWPEIIHSA-N -1 0 607.918 6.978 50 30 KKEARM Cc1ccccc1NC(=O)c1cc2ccc(/C=N/c3ccc(Nc4c5ccccc5c([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2cc1[O-] ZINC000108905012 1071130952 /nfs/dbraw/zinc/13/09/52/1071130952.db2.gz IBRYSPBCPZUQKH-ZSNJKBEMSA-N -1 0 611.614 8.570 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]n1C(C)C)[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000824567290 1071282198 /nfs/dbraw/zinc/28/21/98/1071282198.db2.gz PVDVRLSYSLDBAN-SXQDCVFXSA-N -1 0 694.524 6.886 50 30 KKEARM CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1 ZINC000217699962 1071291961 /nfs/dbraw/zinc/29/19/61/1071291961.db2.gz UDGUYCSKTMTGQH-HSZRJFAPSA-N -1 0 558.627 7.060 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1 ZINC000217699892 1071291995 /nfs/dbraw/zinc/29/19/95/1071291995.db2.gz UDGUYCSKTMTGQH-QHCPKHFHSA-N -1 0 558.627 7.060 50 30 biogenic KKEARM COC(=O)C[C@@H](c1ccc(C(C)C)cc1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(C(C)C)cc2)=C([O-])C1=O ZINC000217947072 1071293819 /nfs/dbraw/zinc/29/38/19/1071293819.db2.gz HMWHXBUCCWOTRB-ZEQRLZLVSA-N -1 0 548.632 5.703 50 30 biogenic KKEARM O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000245265036 1072830693 /nfs/dbraw/zinc/83/06/93/1072830693.db2.gz FUXBCYQCVKTGCT-TWWMWVSZSA-N -1 0 501.908 5.068 50 30 KKEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(Cl)c(Cl)c2)n1 ZINC000097980985 1072838846 /nfs/dbraw/zinc/83/88/46/1072838846.db2.gz BYTAKEJXYKRKLM-DGKKPVBHSA-N -1 0 562.478 7.217 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000254380640 1072849960 /nfs/dbraw/zinc/84/99/60/1072849960.db2.gz HWEGVEGOGXBIKW-UHFFFAOYSA-N -1 0 562.604 5.438 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000254527312 1072862844 /nfs/dbraw/zinc/86/28/44/1072862844.db2.gz WDSBAECZJTYJMA-UHFFFAOYSA-N -1 0 568.615 5.703 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000254591737 1072865752 /nfs/dbraw/zinc/86/57/52/1072865752.db2.gz AQMODJGOUNSMFD-UHFFFAOYSA-N -1 0 500.580 6.125 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000254592485 1072865811 /nfs/dbraw/zinc/86/58/11/1072865811.db2.gz SMLPMDYPZGYHRU-UHFFFAOYSA-N -1 0 532.578 5.429 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000254836929 1072883143 /nfs/dbraw/zinc/88/31/43/1072883143.db2.gz MGTBXAVZUKJWQK-UHFFFAOYSA-N -1 0 598.732 6.026 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000254866305 1072885886 /nfs/dbraw/zinc/88/58/86/1072885886.db2.gz FRYMKUXPMFCOCH-UHFFFAOYSA-N -1 0 532.578 5.429 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)[C@@H](C#N)C(N)=O ZINC000001203787 1072890295 /nfs/dbraw/zinc/89/02/95/1072890295.db2.gz STVKGXUKYGKAFO-YLJYHZDGSA-N -1 0 587.297 5.292 50 30 KKEARM CC(C)(C)[N-]C(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576254 1072901562 /nfs/dbraw/zinc/90/15/62/1072901562.db2.gz LPRQMJOAXBSUJI-SVRRBLITSA-N -1 0 551.193 5.774 50 30 KKEARM CCOc1ccc(Nc2nc(/N=C/c3c([O-])c(C(=O)Nc4ccccc4C)cc4ccccc43)c([N+](=O)[O-])c(NCc3ccccc3)n2)cc1 ZINC000150528484 1072906464 /nfs/dbraw/zinc/90/64/64/1072906464.db2.gz KLMSRAKOCIMVGU-ZXTCRCEHSA-N -1 0 667.726 8.309 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651976 193869313 /nfs/dbraw/zinc/86/93/13/193869313.db2.gz BFLIMQRXKTXFPU-IIMAJNMQSA-N -1 0 525.561 5.669 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533359 195477443 /nfs/dbraw/zinc/47/74/43/195477443.db2.gz IOHDWTBLCTZIIO-LKNHDYCSSA-N -1 0 561.723 5.366 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533733 195478644 /nfs/dbraw/zinc/47/86/44/195478644.db2.gz QLSKKZPCPDCUDT-WWNAUXKISA-N -1 0 573.734 5.820 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000000631224 551505023 /nfs/dbraw/zinc/50/50/23/551505023.db2.gz JOANBNJPZGGBRV-LJQANCHMSA-N -1 0 541.423 5.482 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000000660398 551516047 /nfs/dbraw/zinc/51/60/47/551516047.db2.gz KZAWHCWEPBVTCF-UHFFFAOYSA-N -1 0 570.469 6.469 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000000703153 551530678 /nfs/dbraw/zinc/53/06/78/551530678.db2.gz PKKBJFNAWUWTRH-AREMUKBSSA-N -1 0 553.596 5.963 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000000709856 551532854 /nfs/dbraw/zinc/53/28/54/551532854.db2.gz WCVLSQACDFVQEW-ZKLRHWBXSA-N -1 0 528.417 5.852 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)N1CCOCC1 ZINC000000713097 551533584 /nfs/dbraw/zinc/53/35/84/551533584.db2.gz KCIUNFGJJYPVGL-AUEPDCJTSA-N -1 0 571.316 5.228 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001070898 551602926 /nfs/dbraw/zinc/60/29/26/551602926.db2.gz OMDDYQPXXBPWPU-WENCNXQZSA-N -1 0 599.640 5.635 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000001087304 551606612 /nfs/dbraw/zinc/60/66/12/551606612.db2.gz GZAIXMXJTDVSOM-NHCUHLMSSA-N -1 0 524.831 6.012 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000001103843 551609436 /nfs/dbraw/zinc/60/94/36/551609436.db2.gz HTVXAUMAKQLUOP-MUUNZHRXSA-N -1 0 540.572 5.752 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243211 551631232 /nfs/dbraw/zinc/63/12/32/551631232.db2.gz QTLMVTVGDJFWIA-WHLCRQNOSA-N -1 0 530.602 5.300 50 30 KKEARM CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001269760 551634387 /nfs/dbraw/zinc/63/43/87/551634387.db2.gz HCSWQYGOKBPNSF-NHRFMIRVSA-N -1 0 555.650 6.437 50 30 KKEARM O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Br)c3[O-])cc2)CC1 ZINC000001312039 551639979 /nfs/dbraw/zinc/63/99/79/551639979.db2.gz GJCCBGYMCKRFKQ-AFUMVMLFSA-N -1 0 504.837 5.583 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409608 551664170 /nfs/dbraw/zinc/66/41/70/551664170.db2.gz SHUORKRSIJZSML-WRGVRERRSA-N -1 0 531.008 6.114 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409610 551664173 /nfs/dbraw/zinc/66/41/73/551664173.db2.gz JHHHAPPYPUVOJT-DFXYEROKSA-N -1 0 515.009 6.414 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446815 551674220 /nfs/dbraw/zinc/67/42/20/551674220.db2.gz OAKSJWYHEBMJLY-OAQYLSRUSA-N -1 0 524.526 5.146 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001451435 551676002 /nfs/dbraw/zinc/67/60/02/551676002.db2.gz JRUDHPHKGXFBGV-OAQYLSRUSA-N -1 0 523.408 6.306 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457450 551677047 /nfs/dbraw/zinc/67/70/47/551677047.db2.gz NAJLOJRYHLGAOI-FWUCURJTSA-N -1 0 538.600 5.547 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457453 551677081 /nfs/dbraw/zinc/67/70/81/551677081.db2.gz ZXKSBUMYDADIME-GRMGDBHTSA-N -1 0 582.697 6.767 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000001458637 551677323 /nfs/dbraw/zinc/67/73/23/551677323.db2.gz JXDWEGODUOLYIB-SFHVURJKSA-N -1 0 527.396 5.174 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480821 551681886 /nfs/dbraw/zinc/68/18/86/551681886.db2.gz ASWQAJODNHYRLG-HSZRJFAPSA-N -1 0 550.589 5.405 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001481488 551682630 /nfs/dbraw/zinc/68/26/30/551682630.db2.gz OJQZXMUBCWLYEN-JOCHJYFZSA-N -1 0 554.983 5.898 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000001481484 551682680 /nfs/dbraw/zinc/68/26/80/551682680.db2.gz VLOFNAVWLWNJML-OAQYLSRUSA-N -1 0 524.957 5.889 50 30 KKEARM CC(=Nc1ccccc1Sc1ccccc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000001815995 551707663 /nfs/dbraw/zinc/70/76/63/551707663.db2.gz MRUYZMZSDVIPSW-FMFFXOCNSA-N -1 0 599.206 9.425 50 30 KKEARM CCOc1cc(Br)c(Br)c(/C=N/c2cc(C(C)(C)C)cc(Cl)c2[O-])c1O ZINC000001879412 551723836 /nfs/dbraw/zinc/72/38/36/551723836.db2.gz YGBLCQDHHQLPJG-NUGSKGIGSA-N -1 0 505.634 6.723 50 30 KKEARM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001882773 551724606 /nfs/dbraw/zinc/72/46/06/551724606.db2.gz IMYFUFXNQNFASS-YSURURNPSA-N -1 0 506.581 7.129 50 30 KKEARM Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Br)cc(Br)c4[O-])c3)oc2c(C)c1 ZINC000001884428 551725015 /nfs/dbraw/zinc/72/50/15/551725015.db2.gz VMLBVIAVASAKQT-KBKYJPHKSA-N -1 0 514.217 7.401 50 30 KKEARM COc1cccc(C(=O)NC([N-]c2nc3ccc(OC(F)(F)F)cc3s2)(C(F)(F)F)C(F)(F)F)c1 ZINC000002192588 551790962 /nfs/dbraw/zinc/79/09/62/551790962.db2.gz SAXXLTMEINDMIU-UHFFFAOYSA-N -1 0 533.372 5.866 50 30 KKEARM C=CCc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002232436 551797811 /nfs/dbraw/zinc/79/78/11/551797811.db2.gz GQSRZLAUHSUBAY-BWAHOGKJSA-N -1 0 509.537 6.095 50 30 KKEARM CCCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000002577124 552130577 /nfs/dbraw/zinc/13/05/77/552130577.db2.gz GVKIWPAGGHFEPH-UHFFFAOYSA-N -1 0 553.728 8.295 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1nc(-c3ccc(OC)cc3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000002746414 552173847 /nfs/dbraw/zinc/17/38/47/552173847.db2.gz IFUTTZRCAHFVHG-LJQANCHMSA-N -1 0 552.678 5.356 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 ZINC000002863468 552204609 /nfs/dbraw/zinc/20/46/09/552204609.db2.gz UNUDBVACSUZELC-HHHXNRCGSA-N -1 0 543.973 5.613 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003049938 552277079 /nfs/dbraw/zinc/27/70/79/552277079.db2.gz XKIGBKSNKIAXLP-YSURURNPSA-N -1 0 598.032 7.081 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)c([O-])c(Br)c4O)ccc3o2)cc1C ZINC000003113632 552290088 /nfs/dbraw/zinc/29/00/88/552290088.db2.gz SAMQDDMIOXDPFY-KIBLKLHPSA-N -1 0 516.189 6.798 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 ZINC000003114084 552290197 /nfs/dbraw/zinc/29/01/97/552290197.db2.gz XSJLEBRFCAYAIH-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1 ZINC000003150214 552297495 /nfs/dbraw/zinc/29/74/95/552297495.db2.gz NJTFXXPVWSCQQA-AUEPDCJTSA-N -1 0 519.682 6.117 50 30 KKEARM O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1Cl ZINC000003206151 552304541 /nfs/dbraw/zinc/30/45/41/552304541.db2.gz GMVRRIBBIUTCCS-HVSIYQNKSA-N -1 0 500.963 7.107 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004017849 552428890 /nfs/dbraw/zinc/42/88/90/552428890.db2.gz BCKPSSGFCJQRIW-DHRITJCHSA-N -1 0 555.234 6.035 50 30 KKEARM O=C(Nc1cccc2ccccc21)c1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1 ZINC000004455009 552461315 /nfs/dbraw/zinc/46/13/15/552461315.db2.gz ILXDAKLZQDOJRC-MZJWZYIUSA-N -1 0 524.212 7.073 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000005355082 552498330 /nfs/dbraw/zinc/49/83/30/552498330.db2.gz PVVZHKIPSOIXEQ-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000005355383 552498643 /nfs/dbraw/zinc/49/86/43/552498643.db2.gz HNOMQTASAGKFLZ-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355479 552498674 /nfs/dbraw/zinc/49/86/74/552498674.db2.gz YWLRICMRSYUURU-XMMPIXPASA-N -1 0 619.493 6.966 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000005357387 552499739 /nfs/dbraw/zinc/49/97/39/552499739.db2.gz LMMOMRWOZMBOFO-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000005919785 552512715 /nfs/dbraw/zinc/51/27/15/552512715.db2.gz VKIRJVMINXGIJB-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM O=S(=O)(N=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1)c1ccccc1 ZINC000006143298 552545175 /nfs/dbraw/zinc/54/51/75/552545175.db2.gz DDNNQXRUUKFXAV-UHFFFAOYSA-N -1 0 510.207 5.165 50 30 KKEARM COc1ccc(-n2c([N-]S(=O)(=O)c3ccc(C)cc3)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000006146724 552548545 /nfs/dbraw/zinc/54/85/45/552548545.db2.gz SEGALRFOWHVGGE-UHFFFAOYSA-N -1 0 577.666 6.196 50 30 KKEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 ZINC000006146742 552548614 /nfs/dbraw/zinc/54/86/14/552548614.db2.gz DJEIKHOHPMSNST-UHFFFAOYSA-N -1 0 559.738 7.649 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000006458591 552590102 /nfs/dbraw/zinc/59/01/02/552590102.db2.gz KAZBTSVKDNAJST-QHCPKHFHSA-N -1 0 533.631 5.669 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000006475031 552593256 /nfs/dbraw/zinc/59/32/56/552593256.db2.gz FOKFABPMITUVQY-JWIGPWBQSA-N -1 0 519.485 5.092 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383327 552986182 /nfs/dbraw/zinc/98/61/82/552986182.db2.gz BCGJUAFOCYALDP-NRFANRHFSA-N -1 0 549.630 6.560 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383364 552986433 /nfs/dbraw/zinc/98/64/33/552986433.db2.gz QTLGTGSBKANYPH-XMMPIXPASA-N -1 0 573.627 6.507 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383404 552986571 /nfs/dbraw/zinc/98/65/71/552986571.db2.gz AHXODZTYNANUHV-QHCPKHFHSA-N -1 0 638.952 7.775 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383479 552986748 /nfs/dbraw/zinc/98/67/48/552986748.db2.gz XFDYLVMHYNYJAK-NDEPHWFRSA-N -1 0 629.735 8.068 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383443 552986859 /nfs/dbraw/zinc/98/68/59/552986859.db2.gz DWBQFQPRLAIGQQ-QHCPKHFHSA-N -1 0 576.055 6.719 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008383950 552987976 /nfs/dbraw/zinc/98/79/76/552987976.db2.gz WHKCTFNTUDPLDT-XMMPIXPASA-N -1 0 608.528 7.975 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000008383973 552988291 /nfs/dbraw/zinc/98/82/91/552988291.db2.gz UHVIPJQSBSXYHU-MHZLTWQESA-N -1 0 613.717 7.075 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccs3)s2)cc1 ZINC000008383964 552988298 /nfs/dbraw/zinc/98/82/98/552988298.db2.gz OEDOEQHUEWENLO-JOCHJYFZSA-N -1 0 545.667 6.729 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000008397104 552996299 /nfs/dbraw/zinc/99/62/99/552996299.db2.gz KNWGTMWFIWTXMW-JLPGSUDCSA-N -1 0 643.115 6.196 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000008397047 552996376 /nfs/dbraw/zinc/99/63/76/552996376.db2.gz IEWXVJXQAZSJSJ-XIEYBQDHSA-N -1 0 533.249 5.834 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000008437903 553032173 /nfs/dbraw/zinc/03/21/73/553032173.db2.gz SZDMALBMTWKQJK-UHFFFAOYSA-N -1 0 546.458 5.237 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441062 553039237 /nfs/dbraw/zinc/03/92/37/553039237.db2.gz LIFNMQVLRQUYRR-JOCHJYFZSA-N -1 0 553.865 7.058 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000008441145 553039580 /nfs/dbraw/zinc/03/95/80/553039580.db2.gz ARNGKNAOMGZCSL-JOCHJYFZSA-N -1 0 518.547 5.288 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O ZINC000008441183 553039781 /nfs/dbraw/zinc/03/97/81/553039781.db2.gz LYRPCYMJDPFTPS-FQEVSTJZSA-N -1 0 583.416 5.660 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000008441222 553039928 /nfs/dbraw/zinc/03/99/28/553039928.db2.gz XMHVTWLLKTVENA-LJAQVGFWSA-N -1 0 641.771 7.937 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000008441255 553040167 /nfs/dbraw/zinc/04/01/67/553040167.db2.gz KFOPANRTFOYARI-LJAQVGFWSA-N -1 0 641.771 7.793 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000008441253 553040179 /nfs/dbraw/zinc/04/01/79/553040179.db2.gz KFOPANRTFOYARI-GDLZYMKVSA-N -1 0 641.771 7.793 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000008441756 553042177 /nfs/dbraw/zinc/04/21/77/553042177.db2.gz DFPLGEHZUMTFMI-PMERELPUSA-N -1 0 588.641 8.016 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008441738 553042187 /nfs/dbraw/zinc/04/21/87/553042187.db2.gz TWXFSCSZNSIEOF-DEOSSOPVSA-N -1 0 530.989 6.878 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2ccccc2F)C1=C([O-])c1cc2ccccc2o1 ZINC000008441801 553042480 /nfs/dbraw/zinc/04/24/80/553042480.db2.gz MZYFPCDFQCTVLS-MHZLTWQESA-N -1 0 593.661 7.652 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)[C@@H]1c1ccccc1 ZINC000008445578 553054519 /nfs/dbraw/zinc/05/45/19/553054519.db2.gz UZAYYQAXMWJCPB-OZBCBSOBSA-N -1 0 540.373 6.914 50 30 KKEARM O=[N+]([O-])c1ccc(Nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)c([N+](=O)[O-])c1 ZINC000008448381 553055967 /nfs/dbraw/zinc/05/59/67/553055967.db2.gz CWRUGDIMVPQWCN-LSHDLFTRSA-N -1 0 536.136 6.228 50 30 KKEARM COc1ccc(CCNc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000008629036 553104720 /nfs/dbraw/zinc/10/47/20/553104720.db2.gz WIVUPDHGDPFILC-IURWMYGYSA-N -1 0 513.343 7.140 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000008686233 553115159 /nfs/dbraw/zinc/11/51/59/553115159.db2.gz SDOPGOMGIHUEME-MHZLTWQESA-N -1 0 509.528 5.273 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008837192 553163826 /nfs/dbraw/zinc/16/38/26/553163826.db2.gz VSHGQSWLQCEZQE-QHCPKHFHSA-N -1 0 520.538 5.244 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000008857933 553168534 /nfs/dbraw/zinc/16/85/34/553168534.db2.gz VHCAGTHZXWJGRN-OAQYLSRUSA-N -1 0 524.570 5.339 50 30 KKEARM Cc1ccc(Nc2nc(N=NCc3cc(Cl)cc(Cl)c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000008872107 553172219 /nfs/dbraw/zinc/17/22/19/553172219.db2.gz POXXYQRBGFYSLD-KKMKTNMSSA-N -1 0 539.383 6.342 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008934736 553193249 /nfs/dbraw/zinc/19/32/49/553193249.db2.gz PIYQCIXIKZNBKO-HSZRJFAPSA-N -1 0 516.550 5.567 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973298 553195215 /nfs/dbraw/zinc/19/52/15/553195215.db2.gz VHJBLIGRVCVMDD-NRFANRHFSA-N -1 0 511.386 6.395 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987819 553196845 /nfs/dbraw/zinc/19/68/45/553196845.db2.gz WDJMNOGHYNVHMK-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008174 553198478 /nfs/dbraw/zinc/19/84/78/553198478.db2.gz OSSVOAFQNRIODD-NRFANRHFSA-N -1 0 506.536 5.088 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009008225 553198505 /nfs/dbraw/zinc/19/85/05/553198505.db2.gz XPBDRBOWZMLTSU-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009008688 553199029 /nfs/dbraw/zinc/19/90/29/553199029.db2.gz BLLCAAKLPJPAKS-JOCHJYFZSA-N -1 0 508.958 6.270 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009041153 553202313 /nfs/dbraw/zinc/20/23/13/553202313.db2.gz FFRHBRRPVXZQNG-NRFANRHFSA-N -1 0 524.570 5.339 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009071470 553207062 /nfs/dbraw/zinc/20/70/62/553207062.db2.gz YXHZREKTGZUQFT-HSZRJFAPSA-N -1 0 520.538 5.244 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009086248 553208352 /nfs/dbraw/zinc/20/83/52/553208352.db2.gz JCQPFSYLDNEHMP-JOCHJYFZSA-N -1 0 517.887 6.159 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc(Cl)cc1 ZINC000009110537 553210152 /nfs/dbraw/zinc/21/01/52/553210152.db2.gz XRIZGAXMNHLBEE-FQEVSTJZSA-N -1 0 502.832 6.050 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000009144676 553213799 /nfs/dbraw/zinc/21/37/99/553213799.db2.gz HWIMRYBDMJAFKU-FAJYDZGRSA-N -1 0 516.514 5.085 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000009272379 553231760 /nfs/dbraw/zinc/23/17/60/553231760.db2.gz KFTIUQQUROWIGW-NRFANRHFSA-N -1 0 503.860 5.856 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000009272823 553231996 /nfs/dbraw/zinc/23/19/96/553231996.db2.gz ADXOVBWZKFDOBV-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009272896 553232092 /nfs/dbraw/zinc/23/20/92/553232092.db2.gz XDASVYPVOPYBOQ-FQEVSTJZSA-N -1 0 502.832 6.050 50 30 KKEARM O=C([O-])c1ccc(COc2ccccc2/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 ZINC000009323821 553241574 /nfs/dbraw/zinc/24/15/74/553241574.db2.gz OZWPVCXIPFFQIM-FYJGNVAPSA-N -1 0 509.381 5.618 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000009353257 553245299 /nfs/dbraw/zinc/24/52/99/553245299.db2.gz VPQGCEFPWPXNKK-JOCHJYFZSA-N -1 0 503.511 5.743 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000009358572 553247738 /nfs/dbraw/zinc/24/77/38/553247738.db2.gz VGWKVNJWQJFEQW-AREMUKBSSA-N -1 0 520.582 5.598 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009370639 553250054 /nfs/dbraw/zinc/25/00/54/553250054.db2.gz IDNGBBXAUNSJIS-QFIPXVFZSA-N -1 0 517.887 6.159 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000009370638 553250113 /nfs/dbraw/zinc/25/01/13/553250113.db2.gz IDNGBBXAUNSJIS-JOCHJYFZSA-N -1 0 517.887 6.159 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccnc2)o1 ZINC000009411329 553257470 /nfs/dbraw/zinc/25/74/70/553257470.db2.gz OJNCTQANHCNNIA-FQEVSTJZSA-N -1 0 504.593 5.218 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1 ZINC000009427382 553259864 /nfs/dbraw/zinc/25/98/64/553259864.db2.gz RRTKXFUWDHQQHU-DEOSSOPVSA-N -1 0 515.566 5.656 50 30 KKEARM CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009460752 553266928 /nfs/dbraw/zinc/26/69/28/553266928.db2.gz TUEBYJCUQLHTNU-JOCHJYFZSA-N -1 0 510.771 6.088 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009482616 553272626 /nfs/dbraw/zinc/27/26/26/553272626.db2.gz VYDPQLBRJPHVJV-ROTAYESASA-N -1 0 528.580 5.908 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000012411381 553363426 /nfs/dbraw/zinc/36/34/26/553363426.db2.gz FANTWRKFOPMDJF-GYCJOSAFSA-N -1 0 526.611 5.321 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccccc3Cl)C(=O)C(=O)N2c2ccc(C#N)c(Cl)c2)cc1 ZINC000013129388 553450617 /nfs/dbraw/zinc/45/06/17/553450617.db2.gz AXJJRCXAHWKWRN-JOCHJYFZSA-N -1 0 507.329 5.435 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000013370928 553458780 /nfs/dbraw/zinc/45/87/80/553458780.db2.gz OAZAZBRWAMEGCZ-CQTKSQLLSA-N -1 0 532.765 8.584 50 30 biogenic KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000013550642 553470195 /nfs/dbraw/zinc/47/01/95/553470195.db2.gz IGQDBMVSZGYJAR-QFIPXVFZSA-N -1 0 509.414 6.948 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000013552687 553470866 /nfs/dbraw/zinc/47/08/66/553470866.db2.gz DGWKTSPIAJMVLV-OAQYLSRUSA-N -1 0 504.589 5.490 50 30 KKEARM O=C([O-])Cn1cc(/C=C2/S/C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 ZINC000013881054 553493995 /nfs/dbraw/zinc/49/39/95/553493995.db2.gz OXVPBXFCWIVAJF-ASQXKPDUSA-N -1 0 520.614 6.054 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000015015648 553525754 /nfs/dbraw/zinc/52/57/54/553525754.db2.gz CKPHXPMSALWYHS-TXOYAAFXSA-N -1 0 502.592 5.974 50 30 KKEARM O=C([O-])COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000015015440 553525766 /nfs/dbraw/zinc/52/57/66/553525766.db2.gz UPJWBCCGZYEWRF-ZHUSSGSBSA-N -1 0 509.381 5.721 50 30 KKEARM COc1ccc(-c2oc(/N=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000016217366 553556968 /nfs/dbraw/zinc/55/69/68/553556968.db2.gz VOHMBSNEZVDYQN-DPNNOFEESA-N -1 0 518.525 7.211 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016729872 553575985 /nfs/dbraw/zinc/57/59/85/553575985.db2.gz LYIQGLQVQNPWEY-OAQYLSRUSA-N -1 0 524.570 5.339 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000016741271 553579722 /nfs/dbraw/zinc/57/97/22/553579722.db2.gz MCHLAJUFQGKVPJ-DEOSSOPVSA-N -1 0 500.551 5.953 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)ccc1Cl ZINC000017293331 553592245 /nfs/dbraw/zinc/59/22/45/553592245.db2.gz SAQZAOYTOOZPKF-HVSIYQNKSA-N -1 0 500.963 7.107 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070680397 553604360 /nfs/dbraw/zinc/60/43/60/553604360.db2.gz FXOJJICNCZRBFI-ALZKNCBCSA-N -1 0 587.801 8.899 50 30 biogenic KKEARM Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197725 553609020 /nfs/dbraw/zinc/60/90/20/553609020.db2.gz MTWHWPSQUIBSGT-CLYVBNDRSA-N -1 0 511.603 5.664 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(C)c(C)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198857 553609955 /nfs/dbraw/zinc/60/99/55/553609955.db2.gz BOAKKWDAJKJNKP-DCFHFQCYSA-N -1 0 509.631 6.515 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070697633 553612974 /nfs/dbraw/zinc/61/29/74/553612974.db2.gz CHMTXOPXGPSBSU-JACHBRALSA-N -1 0 542.804 8.991 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000070697562 553612990 /nfs/dbraw/zinc/61/29/90/553612990.db2.gz BCBXQCAEFQEDQZ-YPLORIOQSA-N -1 0 584.838 7.984 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000070698702 553614710 /nfs/dbraw/zinc/61/47/10/553614710.db2.gz CATZXTDLBUPYIP-AQGDPJAYSA-N -1 0 549.708 5.585 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NC[C@@H](CC(=O)[O-])c1ccccc1 ZINC000070698694 553614791 /nfs/dbraw/zinc/61/47/91/553614791.db2.gz CATZXTDLBUPYIP-OEWNGDDISA-N -1 0 549.708 5.585 50 30 biogenic KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)cc1 ZINC000019890680 553629803 /nfs/dbraw/zinc/62/98/03/553629803.db2.gz FJSNYLOAXXRQDA-UHFFFAOYSA-N -1 0 513.634 6.036 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000020356991 553642188 /nfs/dbraw/zinc/64/21/88/553642188.db2.gz ZFTKLQRTMYAROC-BKUYFWCQSA-N -1 0 514.676 6.195 50 30 KKEARM CC1(C)CC2=C(C(=O)C1)[C@]([N-]c1nc3ccccc3s1)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000020069640 553675688 /nfs/dbraw/zinc/67/56/88/553675688.db2.gz MVGGDSXGAKIGJU-HSZRJFAPSA-N -1 0 505.949 6.353 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1 ZINC000095100611 553698970 /nfs/dbraw/zinc/69/89/70/553698970.db2.gz HFSFJFHWRIGOBK-GDBMZVCRSA-N -1 0 756.391 6.705 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681634 553707408 /nfs/dbraw/zinc/70/74/08/553707408.db2.gz SIDINRCMMRKXGQ-UHFFFAOYSA-N -1 0 564.085 6.351 50 30 in-man KKEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1OC ZINC000096115568 553726204 /nfs/dbraw/zinc/72/62/04/553726204.db2.gz SKHKIGGIAUBFPO-FQEVSTJZSA-N -1 0 516.546 5.530 50 30 biogenic KKEARM COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939648 553759967 /nfs/dbraw/zinc/75/99/67/553759967.db2.gz XZRLNDZJAIVZRH-XRHLQHRESA-N -1 0 576.627 5.354 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939650 553759998 /nfs/dbraw/zinc/75/99/98/553759998.db2.gz XZRLNDZJAIVZRH-DNOBIOAJSA-N -1 0 576.627 5.354 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939786 553761289 /nfs/dbraw/zinc/76/12/89/553761289.db2.gz VQNCYNJIFGQWBE-GKVSMKOHSA-N -1 0 556.637 5.090 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939788 553761305 /nfs/dbraw/zinc/76/13/05/553761305.db2.gz VQNCYNJIFGQWBE-NSYGIPOTSA-N -1 0 556.637 5.090 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)S/C2=N\c2ccccc2)cc1 ZINC000097944434 553769654 /nfs/dbraw/zinc/76/96/54/553769654.db2.gz AZUSFDIHHVKTIV-YQTYGERVSA-N -1 0 623.945 8.728 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c(C)c1 ZINC000097946622 553780530 /nfs/dbraw/zinc/78/05/30/553780530.db2.gz KELWQXWHSMLWDU-WMMMYUQOSA-N -1 0 617.837 8.209 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097952318 553814713 /nfs/dbraw/zinc/81/47/13/553814713.db2.gz PDENFBWSBBKVTQ-QFIPXVFZSA-N -1 0 537.410 6.543 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000097952448 553815988 /nfs/dbraw/zinc/81/59/88/553815988.db2.gz LVLSOAWKMCFLMV-XMMPIXPASA-N -1 0 542.573 5.425 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952484 553815998 /nfs/dbraw/zinc/81/59/98/553815998.db2.gz MSESIILBIKYWGF-QFIPXVFZSA-N -1 0 519.966 6.203 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000097953031 553818846 /nfs/dbraw/zinc/81/88/46/553818846.db2.gz UZUOAWMUNXDLLU-DEOSSOPVSA-N -1 0 532.549 5.388 50 30 KKEARM O=C([N-]C1CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097953853 553819800 /nfs/dbraw/zinc/81/98/00/553819800.db2.gz BCHYSRKPLVMORP-UHFFFAOYSA-N -1 0 503.152 5.274 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000097954884 553826461 /nfs/dbraw/zinc/82/64/61/553826461.db2.gz KRMLLZMMJPSHEG-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955068 553828244 /nfs/dbraw/zinc/82/82/44/553828244.db2.gz YSFDQBBREMBCPF-YEBMWUKDSA-N -1 0 623.481 5.888 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097955069 553828424 /nfs/dbraw/zinc/82/84/24/553828424.db2.gz YSFDQBBREMBCPF-RKNYENMMSA-N -1 0 623.481 5.888 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955189 553829514 /nfs/dbraw/zinc/82/95/14/553829514.db2.gz BLHXTJOJBYSLCF-SXBQZSJRSA-N -1 0 576.602 5.568 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955264 553830700 /nfs/dbraw/zinc/83/07/00/553830700.db2.gz UPODBMJPAIOXNH-NPMABZOXSA-N -1 0 547.976 5.964 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000097955656 553832542 /nfs/dbraw/zinc/83/25/42/553832542.db2.gz SZXDLQDWZKSTQR-AREMUKBSSA-N -1 0 581.650 5.860 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000097955870 553834571 /nfs/dbraw/zinc/83/45/71/553834571.db2.gz LJMBYFDSUQGAHY-SANMLTNESA-N -1 0 542.613 5.831 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097956797 553841743 /nfs/dbraw/zinc/84/17/43/553841743.db2.gz WWIGXJAPRKMINB-JOCHJYFZSA-N -1 0 536.606 5.127 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000029747943 553849197 /nfs/dbraw/zinc/84/91/97/553849197.db2.gz IFVRPRCKRJDAKN-PRAQEBQASA-N -1 0 599.640 5.635 50 30 KKEARM O=C(NCc1ccccc1)c1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1 ZINC000097958140 553851470 /nfs/dbraw/zinc/85/14/70/553851470.db2.gz QLWWPBVQSFRLCF-ZONNCAFXSA-N -1 0 556.651 5.959 50 30 KKEARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccc(Br)cc4Cl)NC3=O)o2)c1 ZINC000097960136 553868564 /nfs/dbraw/zinc/86/85/64/553868564.db2.gz XRSNUWZDEHJTHA-NVMNQCDNSA-N -1 0 538.206 6.606 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000097960196 553868804 /nfs/dbraw/zinc/86/88/04/553868804.db2.gz MWLCCAKTSXMXTF-GMIYYESVSA-N -1 0 612.538 8.499 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000097960509 553871980 /nfs/dbraw/zinc/87/19/80/553871980.db2.gz NLULAWHHHHCZGD-OEAKJJBVSA-N -1 0 534.971 6.692 50 30 KKEARM N#Cc1ccccc1COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)ccc1Cl ZINC000097962712 553885187 /nfs/dbraw/zinc/88/51/87/553885187.db2.gz SURAZNWXECGKBJ-FBHDLOMBSA-N -1 0 538.990 5.114 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=NN(c2ccc(-c3nc4cc(S(=O)(=O)[O-])ccc4s3)cc2)C(=O)/C1=N\c1ccc(N(CC)CC)cc1 ZINC000097962840 553885727 /nfs/dbraw/zinc/88/57/27/553885727.db2.gz UNTWOYQPDGCYOO-OYDBNLDZSA-N -1 0 772.094 11.793 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966799 553910329 /nfs/dbraw/zinc/91/03/29/553910329.db2.gz UJVNWNJBYJXVKH-GDLZYMKVSA-N -1 0 640.714 6.482 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967223 553915296 /nfs/dbraw/zinc/91/52/96/553915296.db2.gz WWMOEEXRCVSEEM-AREMUKBSSA-N -1 0 600.649 5.623 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967329 553917141 /nfs/dbraw/zinc/91/71/41/553917141.db2.gz TXDTVXIBWAPKEC-IZHWHUGBSA-N -1 0 577.634 6.215 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967336 553917263 /nfs/dbraw/zinc/91/72/63/553917263.db2.gz QVKCLDMCJOJDRQ-KATKFWMUSA-N -1 0 726.276 8.568 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967378 553917599 /nfs/dbraw/zinc/91/75/99/553917599.db2.gz WLCAPYHJBBGDRB-FLASPHMUSA-N -1 0 677.848 8.659 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967526 553919671 /nfs/dbraw/zinc/91/96/71/553919671.db2.gz ZPMIYTGVFDGHRW-SPSFWMDKSA-N -1 0 627.900 6.533 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967528 553919714 /nfs/dbraw/zinc/91/97/14/553919714.db2.gz ZPMIYTGVFDGHRW-SFDCACGMSA-N -1 0 627.900 6.533 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967555 553920161 /nfs/dbraw/zinc/92/01/61/553920161.db2.gz OTNJAPKMFWJVKA-MYYSRTQBSA-N -1 0 610.544 7.244 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967593 553920612 /nfs/dbraw/zinc/92/06/12/553920612.db2.gz RPALZPCDFUSIQJ-DAOPMYJZSA-N -1 0 571.869 7.363 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967657 553921443 /nfs/dbraw/zinc/92/14/43/553921443.db2.gz LDSHWEMHPXUUEP-NDEPHWFRSA-N -1 0 597.048 7.296 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967687 553921864 /nfs/dbraw/zinc/92/18/64/553921864.db2.gz WSXWKYRSCBLMHF-HEIROHQZSA-N -1 0 685.868 8.069 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967705 553921960 /nfs/dbraw/zinc/92/19/60/553921960.db2.gz AUDIOSAGIXFCJF-UKPGIYTDSA-N -1 0 706.286 8.558 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967850 553923951 /nfs/dbraw/zinc/92/39/51/553923951.db2.gz VUOHDBJGJHSMNN-YRVHBCJASA-N -1 0 712.677 8.431 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967836 553924046 /nfs/dbraw/zinc/92/40/46/553924046.db2.gz IWDPMZWJTHNKIO-PMERELPUSA-N -1 0 742.703 8.515 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967919 553924921 /nfs/dbraw/zinc/92/49/21/553924921.db2.gz QGEUBPINKKCXJR-HSZRJFAPSA-N -1 0 612.516 6.691 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967955 553925711 /nfs/dbraw/zinc/92/57/11/553925711.db2.gz WNGCIBPDCBYSNF-RBSBEOHCSA-N -1 0 710.661 8.207 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968004 553926158 /nfs/dbraw/zinc/92/61/58/553926158.db2.gz HIGVSZHLKTWPSO-LFPIHBKWSA-N -1 0 628.534 7.383 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968006 553926228 /nfs/dbraw/zinc/92/62/28/553926228.db2.gz HZWRYUDSHZSEDL-MHZLTWQESA-N -1 0 633.723 6.703 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968014 553926661 /nfs/dbraw/zinc/92/66/61/553926661.db2.gz NSSLFSKOHWEFPC-SANMLTNESA-N -1 0 603.697 6.647 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968070 553926954 /nfs/dbraw/zinc/92/69/54/553926954.db2.gz JBFUHULSNCKJHE-PKHCJMHPSA-N -1 0 740.731 9.211 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968098 553927535 /nfs/dbraw/zinc/92/75/35/553927535.db2.gz WCKCFJPYWAXQSA-HHHXNRCGSA-N -1 0 649.722 6.321 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097968123 553927998 /nfs/dbraw/zinc/92/79/98/553927998.db2.gz MNIUILGNVNXFSA-XIFFEERXSA-N -1 0 707.830 7.671 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968130 553928029 /nfs/dbraw/zinc/92/80/29/553928029.db2.gz XYEGYXVKEGNKHV-MUUNZHRXSA-N -1 0 680.204 7.225 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968154 553928326 /nfs/dbraw/zinc/92/83/26/553928326.db2.gz ZZCKGSFVKCACHG-MUUNZHRXSA-N -1 0 647.750 7.093 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968183 553928855 /nfs/dbraw/zinc/92/88/55/553928855.db2.gz DBDHCLCTCOWZAG-MHZLTWQESA-N -1 0 684.623 7.870 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968210 553929069 /nfs/dbraw/zinc/92/90/69/553929069.db2.gz LVKRGTVEFNVLEI-HSZRJFAPSA-N -1 0 579.606 5.663 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968233 553929621 /nfs/dbraw/zinc/92/96/21/553929621.db2.gz IOCMNPPNCPEVOZ-DEOSSOPVSA-N -1 0 591.642 5.532 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000097968245 553929653 /nfs/dbraw/zinc/92/96/53/553929653.db2.gz FLIYZQDPDZXOCQ-MHZLTWQESA-N -1 0 599.734 6.816 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968242 553929668 /nfs/dbraw/zinc/92/96/68/553929668.db2.gz SMPVWOZICPOMDL-AREMUKBSSA-N -1 0 617.680 6.088 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968266 553930093 /nfs/dbraw/zinc/93/00/93/553930093.db2.gz ZYZCYXCKRUMVCB-HHHXNRCGSA-N -1 0 615.733 6.482 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968300 553930269 /nfs/dbraw/zinc/93/02/69/553930269.db2.gz MIRKDLLUEFMJRE-SANMLTNESA-N -1 0 620.152 7.161 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097968333 553930848 /nfs/dbraw/zinc/93/08/48/553930848.db2.gz XFPJLLJNVZNYBO-HHHXNRCGSA-N -1 0 606.697 6.032 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968404 553931986 /nfs/dbraw/zinc/93/19/86/553931986.db2.gz OGOFCOBMSZPQBC-SSEXGKCCSA-N -1 0 667.740 7.103 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969139 553936976 /nfs/dbraw/zinc/93/69/76/553936976.db2.gz YGFQPUVYTGIHNR-QLXKLKPCSA-N -1 0 603.697 6.475 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097969172 553937347 /nfs/dbraw/zinc/93/73/47/553937347.db2.gz IRKSMRLZNNHUNP-DFXYEROKSA-N -1 0 657.814 7.433 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969198 553937670 /nfs/dbraw/zinc/93/76/70/553937670.db2.gz WHALWRZCWJRFPQ-UVDDSOTQSA-N -1 0 647.778 7.516 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969273 553938815 /nfs/dbraw/zinc/93/88/15/553938815.db2.gz QWXFTZGHMPHVBT-WRONEBCDSA-N -1 0 662.233 8.159 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969259 553938835 /nfs/dbraw/zinc/93/88/35/553938835.db2.gz MNGCOQPBUCRPPY-NBLPZQPVSA-N -1 0 709.821 8.054 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969363 553940193 /nfs/dbraw/zinc/94/01/93/553940193.db2.gz VUOXJNAFLMSOLU-ZAMGYDSWSA-N -1 0 581.875 6.819 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969355 553940254 /nfs/dbraw/zinc/94/02/54/553940254.db2.gz QUSXHHOYRTUXTC-OLILMLBXSA-N -1 0 662.233 8.015 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969372 553940425 /nfs/dbraw/zinc/94/04/25/553940425.db2.gz MRZKAZSVTBFZQT-HMILPKGGSA-N -1 0 648.206 7.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000097969498 553941608 /nfs/dbraw/zinc/94/16/08/553941608.db2.gz WDSBAXTZOSRDIM-SANMLTNESA-N -1 0 637.541 7.605 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969533 553941806 /nfs/dbraw/zinc/94/18/06/553941806.db2.gz GRHXUZGHDYYOQO-YTTGMZPUSA-N -1 0 660.748 8.091 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969735 553944090 /nfs/dbraw/zinc/94/40/90/553944090.db2.gz KCRJCYIUCXXRLV-SLQAJWMNSA-N -1 0 659.761 7.039 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969737 553944137 /nfs/dbraw/zinc/94/41/37/553944137.db2.gz KCRJCYIUCXXRLV-XBBWARJSSA-N -1 0 659.761 7.039 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969774 553944590 /nfs/dbraw/zinc/94/45/90/553944590.db2.gz DISQCVSQOMEVOF-ACSYHNTCSA-N -1 0 641.771 6.900 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969811 553945522 /nfs/dbraw/zinc/94/55/22/553945522.db2.gz JONNWPWVOCBTFL-SGANQWHYSA-N -1 0 591.483 6.564 50 30 KKEARM O=C([O-])c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=Nc2ccc(Br)cc2)SCc2ccccc2Cl)c1 ZINC000033356954 553945698 /nfs/dbraw/zinc/94/56/98/553945698.db2.gz UCZWGELGLCNCQZ-OFNKIYASSA-N -1 0 664.025 7.619 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969937 553947268 /nfs/dbraw/zinc/94/72/68/553947268.db2.gz QPJGNPJEKWYLAM-PUAOIOHZSA-N -1 0 617.680 5.862 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097970129 553949942 /nfs/dbraw/zinc/94/99/42/553949942.db2.gz LJJBLXGONNSSAK-MUUNZHRXSA-N -1 0 626.687 6.179 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970146 553950084 /nfs/dbraw/zinc/95/00/84/553950084.db2.gz HAFMANOOEOBYDS-PUAOIOHZSA-N -1 0 592.670 5.532 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970196 553950851 /nfs/dbraw/zinc/95/08/51/553950851.db2.gz UQNYJGMXKNFWLD-JCOAXYOVSA-N -1 0 689.831 8.044 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970251 553951612 /nfs/dbraw/zinc/95/16/12/553951612.db2.gz MHLZOTAOWYRUMM-GDJIYFAZSA-N -1 0 631.751 7.255 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970287 553952108 /nfs/dbraw/zinc/95/21/08/553952108.db2.gz QKPOOZSRHXJWID-MQNRADLISA-N -1 0 668.580 7.030 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970361 553952969 /nfs/dbraw/zinc/95/29/69/553952969.db2.gz TYPNRCBRLJCNSC-UKPGIYTDSA-N -1 0 706.286 8.414 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970430 553954088 /nfs/dbraw/zinc/95/40/88/553954088.db2.gz HWJRXJRFVWQPMP-RZFZLAGVSA-N -1 0 567.450 6.718 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970449 553954157 /nfs/dbraw/zinc/95/41/57/553954157.db2.gz KBNPZYBIQRYOMH-HEIROHQZSA-N -1 0 685.868 8.213 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970447 553954215 /nfs/dbraw/zinc/95/42/15/553954215.db2.gz KBNPZYBIQRYOMH-UDNBHOFDSA-N -1 0 685.868 8.213 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970477 553954456 /nfs/dbraw/zinc/95/44/56/553954456.db2.gz BZLPTEFJJCHWLY-GDJIYFAZSA-N -1 0 648.206 7.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970486 553954590 /nfs/dbraw/zinc/95/45/90/553954590.db2.gz ZYZUKXDVCOAGCO-MUUNZHRXSA-N -1 0 628.703 6.316 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097970533 553955508 /nfs/dbraw/zinc/95/55/08/553955508.db2.gz AZYXLUOLMQKORJ-SSOJOUAXSA-N -1 0 590.126 6.899 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970527 553955608 /nfs/dbraw/zinc/95/56/08/553955608.db2.gz QXKHCNZXMLNJDA-WXTAPIANSA-N -1 0 585.707 6.335 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097970606 553956257 /nfs/dbraw/zinc/95/62/57/553956257.db2.gz CJSBRYRZCMCVEJ-IZHWHUGBSA-N -1 0 610.544 7.244 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970613 553956310 /nfs/dbraw/zinc/95/63/10/553956310.db2.gz QOUZDBZMIDPHES-XRHLQHRESA-N -1 0 620.724 6.312 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970681 553957550 /nfs/dbraw/zinc/95/75/50/553957550.db2.gz NXRVYOJURONNTG-DNOBIOAJSA-N -1 0 615.708 6.641 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970682 553957570 /nfs/dbraw/zinc/95/75/70/553957570.db2.gz NXRVYOJURONNTG-XRHLQHRESA-N -1 0 615.708 6.641 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970714 553957904 /nfs/dbraw/zinc/95/79/04/553957904.db2.gz SIVQTGCMDKITIU-MMTVBGGISA-N -1 0 613.761 7.034 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970713 553958004 /nfs/dbraw/zinc/95/80/04/553958004.db2.gz SIVQTGCMDKITIU-WTYVLRPYSA-N -1 0 613.761 7.034 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970760 553958274 /nfs/dbraw/zinc/95/82/74/553958274.db2.gz BGJCALJOSRDVQH-ADXZGYQBSA-N -1 0 676.216 7.554 50 30 KKEARM CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)cc1 ZINC000097972094 553966041 /nfs/dbraw/zinc/96/60/41/553966041.db2.gz ZUXBPVNAONRSCD-HHHXNRCGSA-N -1 0 544.644 7.306 50 30 biogenic KKEARM COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1CSCC(=O)[O-] ZINC000097981059 553991957 /nfs/dbraw/zinc/99/19/57/553991957.db2.gz DFLGNXHFIPPHIS-ACCUITESSA-N -1 0 524.598 6.508 50 30 KKEARM Cc1ccc(S(=O)([O-])=NC(=O)N(CCCN2C(=O)c3cccc4cccc(c43)C2=O)c2cccc3ccccc32)cc1 ZINC000097983286 554008443 /nfs/dbraw/zinc/00/84/43/554008443.db2.gz IUZXQNVGPKONPZ-UHFFFAOYSA-N -1 0 577.662 6.097 50 30 KKEARM CCCCCCCCCCCC(=O)Nc1cc(NC(=O)CCCCCCCCCCC)cc(C(=O)[O-])c1 ZINC000098001342 554052216 /nfs/dbraw/zinc/05/22/16/554052216.db2.gz JGRRCEIUQOAGPC-UHFFFAOYSA-N -1 0 516.767 9.104 50 30 biogenic KKEARM O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(Cl)cc1Cl)N2 ZINC000098042699 554121435 /nfs/dbraw/zinc/12/14/35/554121435.db2.gz KDDRHRCFXGWQBS-UHFFFAOYSA-N -1 0 541.210 5.164 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098046337 554137941 /nfs/dbraw/zinc/13/79/41/554137941.db2.gz FBPLRWIQULXJFN-FQEVSTJZSA-N -1 0 526.998 5.382 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046445 554138865 /nfs/dbraw/zinc/13/88/65/554138865.db2.gz WMGQRFUWGHGMAN-VWLOTQADSA-N -1 0 575.687 6.931 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046506 554139841 /nfs/dbraw/zinc/13/98/41/554139841.db2.gz DHJJKNKQKKEPCW-MUUNZHRXSA-N -1 0 660.148 8.207 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046525 554140103 /nfs/dbraw/zinc/14/01/03/554140103.db2.gz YCVDMMBWNYISBV-MUUNZHRXSA-N -1 0 611.745 7.847 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046540 554140344 /nfs/dbraw/zinc/14/03/44/554140344.db2.gz DLPCQUBJVZMJOC-MHZLTWQESA-N -1 0 615.708 7.678 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046541 554140377 /nfs/dbraw/zinc/14/03/77/554140377.db2.gz PXWMTOTTXILKTE-AREMUKBSSA-N -1 0 599.665 7.063 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000098046592 554141065 /nfs/dbraw/zinc/14/10/65/554141065.db2.gz GKSYYBJSRXPQGP-OAQYLSRUSA-N -1 0 570.117 6.727 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000098046616 554141685 /nfs/dbraw/zinc/14/16/85/554141685.db2.gz LEYLUILROIWHJG-MUUNZHRXSA-N -1 0 621.111 7.081 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000098046702 554142734 /nfs/dbraw/zinc/14/27/34/554142734.db2.gz PGPJTLJZIMDHHA-PMERELPUSA-N -1 0 589.673 7.309 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046845 554144173 /nfs/dbraw/zinc/14/41/73/554144173.db2.gz SEHPMFUPYZCRGY-QFIPXVFZSA-N -1 0 584.506 6.929 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047232 554147990 /nfs/dbraw/zinc/14/79/90/554147990.db2.gz FVAKIRMXJJQDCQ-LJAQVGFWSA-N -1 0 625.747 8.003 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047228 554148001 /nfs/dbraw/zinc/14/80/01/554148001.db2.gz HHCCRBNIIYFGEB-MHZLTWQESA-N -1 0 613.692 6.928 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047234 554148024 /nfs/dbraw/zinc/14/80/24/554148024.db2.gz VUYVAEYFDBSXIL-NDEPHWFRSA-N -1 0 627.719 7.318 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccncc2)cc1F ZINC000098047262 554148308 /nfs/dbraw/zinc/14/83/08/554148308.db2.gz XFBWYUFAZAGBDD-VWLOTQADSA-N -1 0 584.654 6.309 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047290 554148788 /nfs/dbraw/zinc/14/87/88/554148788.db2.gz WRAWZMZYHBOSSO-DEOSSOPVSA-N -1 0 550.633 5.633 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F ZINC000098047274 554148821 /nfs/dbraw/zinc/14/88/21/554148821.db2.gz CKRAADJNCWPBMY-SANMLTNESA-N -1 0 599.665 6.620 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccccc2)cc1 ZINC000098047292 554148918 /nfs/dbraw/zinc/14/89/18/554148918.db2.gz AMHBIZMLTJHBLX-VWLOTQADSA-N -1 0 575.687 6.931 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000098047315 554149230 /nfs/dbraw/zinc/14/92/30/554149230.db2.gz OPSLOZXNVGECRK-AREMUKBSSA-N -1 0 662.562 7.677 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047364 554150043 /nfs/dbraw/zinc/15/00/43/554150043.db2.gz KODROKCCMSSZDW-AREMUKBSSA-N -1 0 622.168 7.454 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047402 554150561 /nfs/dbraw/zinc/15/05/61/554150561.db2.gz XYXNWFPIHXBMIR-GDLZYMKVSA-N -1 0 664.249 8.625 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098047416 554150571 /nfs/dbraw/zinc/15/05/71/554150571.db2.gz HCSNZWUEVUMLPY-WJOKGBTCSA-N -1 0 657.858 8.670 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047398 554150611 /nfs/dbraw/zinc/15/06/11/554150611.db2.gz HMQYIVFYDHCTCZ-HSZRJFAPSA-N -1 0 644.533 7.154 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098047441 554150902 /nfs/dbraw/zinc/15/09/02/554150902.db2.gz OBTMVPDFRIXTLA-QFIPXVFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047472 554151399 /nfs/dbraw/zinc/15/13/99/554151399.db2.gz UIMFBEUEECWFMV-MUUNZHRXSA-N -1 0 666.221 7.853 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047462 554151447 /nfs/dbraw/zinc/15/14/47/554151447.db2.gz DDPJLRWNEMYGKZ-JGCGQSQUSA-N -1 0 681.811 8.510 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047504 554151806 /nfs/dbraw/zinc/15/18/06/554151806.db2.gz GTPNYNQOBIBJLD-LJAQVGFWSA-N -1 0 661.777 7.505 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047501 554151816 /nfs/dbraw/zinc/15/18/16/554151816.db2.gz BJMDPHUIRMUSCC-RUZDIDTESA-N -1 0 606.697 6.013 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047536 554152185 /nfs/dbraw/zinc/15/21/85/554152185.db2.gz VBDBPEGGKXEZRN-HHHXNRCGSA-N -1 0 682.220 7.471 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098047525 554152235 /nfs/dbraw/zinc/15/22/35/554152235.db2.gz NMOFKRJMBSYBNP-QHCPKHFHSA-N -1 0 567.063 6.410 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000098047533 554152333 /nfs/dbraw/zinc/15/23/33/554152333.db2.gz WFEWIGAQXGEMOE-YTTGMZPUSA-N -1 0 722.329 9.413 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047554 554152761 /nfs/dbraw/zinc/15/27/61/554152761.db2.gz XVADDYIEWIKOHF-HKBQPEDESA-N -1 0 691.847 8.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047593 554153061 /nfs/dbraw/zinc/15/30/61/554153061.db2.gz SVHBUKYXBLDGHG-AREMUKBSSA-N -1 0 616.721 7.009 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047588 554153071 /nfs/dbraw/zinc/15/30/71/554153071.db2.gz CJSYEGQWQJGPOG-HKBQPEDESA-N -1 0 708.302 9.023 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047622 554153397 /nfs/dbraw/zinc/15/33/97/554153397.db2.gz XGXXOSMWJBCIPP-NDEPHWFRSA-N -1 0 631.776 7.118 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000098047623 554153605 /nfs/dbraw/zinc/15/36/05/554153605.db2.gz DUIUQBSRWUFXNQ-JGCGQSQUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047637 554153887 /nfs/dbraw/zinc/15/38/87/554153887.db2.gz CHJOYFQTZXOUMI-HHHXNRCGSA-N -1 0 619.740 7.330 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F ZINC000098047712 554154869 /nfs/dbraw/zinc/15/48/69/554154869.db2.gz AYTRPYQBOATZOY-DEOSSOPVSA-N -1 0 589.695 6.976 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1F ZINC000098047727 554154913 /nfs/dbraw/zinc/15/49/13/554154913.db2.gz HDDUMLQWFVPTBA-MUUNZHRXSA-N -1 0 643.718 6.931 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1F ZINC000098047737 554155408 /nfs/dbraw/zinc/15/54/08/554155408.db2.gz QLNVTEKSUACMQH-AREMUKBSSA-N -1 0 599.665 6.620 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2)cc1OC ZINC000098047774 554155895 /nfs/dbraw/zinc/15/58/95/554155895.db2.gz RKJIWXGARLUGHG-MHZLTWQESA-N -1 0 595.702 6.784 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000098047792 554156137 /nfs/dbraw/zinc/15/61/37/554156137.db2.gz HIUFHJBJEWPUJP-LJAQVGFWSA-N -1 0 655.754 6.801 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098047795 554156226 /nfs/dbraw/zinc/15/62/26/554156226.db2.gz LJWZGIJDZVDQMR-HHHXNRCGSA-N -1 0 664.592 8.091 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000098047854 554157008 /nfs/dbraw/zinc/15/70/08/554157008.db2.gz ZBMQMPFTUOJHGR-MHZLTWQESA-N -1 0 640.699 6.692 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047896 554157333 /nfs/dbraw/zinc/15/73/33/554157333.db2.gz UOSKJOPCINLQMN-MHZLTWQESA-N -1 0 625.659 6.373 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)ccc1O ZINC000098048013 554158308 /nfs/dbraw/zinc/15/83/08/554158308.db2.gz MUUKNVUYNRZTPB-SANMLTNESA-N -1 0 542.613 5.918 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nnc(C(C)C)s2)ccc1OCCC(C)C ZINC000098047983 554158395 /nfs/dbraw/zinc/15/83/95/554158395.db2.gz KRTVAHOSUCURNE-HSZRJFAPSA-N -1 0 539.629 6.017 50 30 KKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)oc2c1 ZINC000100025852 554183671 /nfs/dbraw/zinc/18/36/71/554183671.db2.gz XMNXRULNGFTALH-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100033896 554187627 /nfs/dbraw/zinc/18/76/27/554187627.db2.gz RICKCGHIXFSARC-VNBRQFEQSA-N -1 0 543.535 5.246 50 30 KKEARM Cc1cccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)nc21 ZINC000100046897 554193812 /nfs/dbraw/zinc/19/38/12/554193812.db2.gz NNZBIKFRCUHNBF-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000100046260 554193907 /nfs/dbraw/zinc/19/39/07/554193907.db2.gz RIJJXWIQYNWYKC-YSURURNPSA-N -1 0 584.126 6.299 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)NC1CC1 ZINC000100086119 554209104 /nfs/dbraw/zinc/20/91/04/554209104.db2.gz AZFFQJHYPNBCGH-GZIVZEMBSA-N -1 0 541.290 5.648 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N\c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000100107819 554220774 /nfs/dbraw/zinc/22/07/74/554220774.db2.gz HTKSCHSSCCILTG-OAQRXKCOSA-N -1 0 574.005 5.756 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(/C=C3/S/C(=N\c4cccc(Cl)c4Cl)NC3=O)cc2Br)cc1 ZINC000100203048 554247201 /nfs/dbraw/zinc/24/72/01/554247201.db2.gz NXAPPNYETDBOIB-RGVLZGJSSA-N -1 0 578.271 6.925 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(F)cc4)ccc4ccccc43)S/C2=N/c2ccccc2)cc1 ZINC000100236523 554258506 /nfs/dbraw/zinc/25/85/06/554258506.db2.gz RVBQJAFCJBGSQS-JQSXLCGMSA-N -1 0 588.660 8.060 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100260112 554265239 /nfs/dbraw/zinc/26/52/39/554265239.db2.gz ZXHSAMQHUPBZGJ-RTJRSLRCSA-N -1 0 532.618 5.995 50 30 KKEARM CCCCCCCCC[C@@H](CCCCCCCC(=O)[O-])OC(=O)c1c2ccccc2cc2ccccc21 ZINC000100300770 554291027 /nfs/dbraw/zinc/29/10/27/554291027.db2.gz KCSPZBFHFNHKIQ-NDEPHWFRSA-N -1 0 504.711 9.474 50 30 KKEARM O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000100312594 554301488 /nfs/dbraw/zinc/30/14/88/554301488.db2.gz DKGBPEOBEPXIFP-UHFFFAOYSA-N -1 0 602.275 6.617 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000049639193 554324137 /nfs/dbraw/zinc/32/41/37/554324137.db2.gz WCVLSQACDFVQEW-ZHLRLBJSSA-N -1 0 528.417 5.852 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276040 554330627 /nfs/dbraw/zinc/33/06/27/554330627.db2.gz JIMPHZVSIVMXET-KCEHZKJRSA-N -1 0 584.625 5.256 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053305767 554332756 /nfs/dbraw/zinc/33/27/56/554332756.db2.gz ROQXADAWBRXORX-OAQYLSRUSA-N -1 0 529.401 6.686 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053306255 554333468 /nfs/dbraw/zinc/33/34/68/554333468.db2.gz GAFQZEOTGZVCKK-JOCHJYFZSA-N -1 0 553.409 6.380 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053306272 554333629 /nfs/dbraw/zinc/33/36/29/554333629.db2.gz HEQOALRPSGNUFR-QHCPKHFHSA-N -1 0 531.546 5.395 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306186 554333652 /nfs/dbraw/zinc/33/36/52/554333652.db2.gz NMOBWLRIYNJCSL-QHCPKHFHSA-N -1 0 565.445 6.249 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306332 554333896 /nfs/dbraw/zinc/33/38/96/554333896.db2.gz JONNWPWVOCBTFL-MQNRADLISA-N -1 0 591.483 6.564 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053306956 554334773 /nfs/dbraw/zinc/33/47/73/554334773.db2.gz JANFJLQACDDVHJ-HSZRJFAPSA-N -1 0 531.546 5.395 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307509 554335001 /nfs/dbraw/zinc/33/50/01/554335001.db2.gz YNQZPWXAVUXXRV-LJQANCHMSA-N -1 0 547.416 5.645 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000053307666 554335480 /nfs/dbraw/zinc/33/54/80/554335480.db2.gz YYSYCORRHYWJPR-QFIPXVFZSA-N -1 0 541.398 5.535 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319177 554336669 /nfs/dbraw/zinc/33/66/69/554336669.db2.gz YEXXSOWRKGVPDB-NRFANRHFSA-N -1 0 521.392 5.850 50 30 KKEARM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053319374 554337598 /nfs/dbraw/zinc/33/75/98/554337598.db2.gz JJQAFQXPJUOATQ-MHZLTWQESA-N -1 0 540.641 6.578 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000053319443 554337942 /nfs/dbraw/zinc/33/79/42/554337942.db2.gz WBSLOXSKPVVQQG-OAQYLSRUSA-N -1 0 541.025 5.770 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000053319510 554338594 /nfs/dbraw/zinc/33/85/94/554338594.db2.gz RXNVSTXCMGPQIQ-HXUWFJFHSA-N -1 0 525.811 6.495 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000053334159 554340333 /nfs/dbraw/zinc/34/03/33/554340333.db2.gz JJHBEKJZBAITEQ-DEOSSOPVSA-N -1 0 595.029 5.530 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053335145 554340548 /nfs/dbraw/zinc/34/05/48/554340548.db2.gz VQFLDCNUGUKLAJ-OAQYLSRUSA-N -1 0 558.226 5.788 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000053336032 554341355 /nfs/dbraw/zinc/34/13/55/554341355.db2.gz WFYJULAQFDODCZ-PVPMGCCUSA-N -1 0 577.058 6.463 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053336318 554341651 /nfs/dbraw/zinc/34/16/51/554341651.db2.gz HIBCNFLGJVVLRW-QHCPKHFHSA-N -1 0 549.004 5.918 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000053336901 554341787 /nfs/dbraw/zinc/34/17/87/554341787.db2.gz TZWIOFFRPCDVQH-ZLOXQWCVSA-N -1 0 537.424 6.709 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000053337256 554342020 /nfs/dbraw/zinc/34/20/20/554342020.db2.gz OCNRGNXMNIGZBG-OAQYLSRUSA-N -1 0 539.382 5.989 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000053337143 554342084 /nfs/dbraw/zinc/34/20/84/554342084.db2.gz RNNWUVCNSWVOAV-BSEYFRJRSA-N -1 0 561.015 5.843 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053337998 554342358 /nfs/dbraw/zinc/34/23/58/554342358.db2.gz JPMUENKNBUIAFD-BSEYFRJRSA-N -1 0 543.557 5.319 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(I)cc1 ZINC000100527841 554410131 /nfs/dbraw/zinc/41/01/31/554410131.db2.gz JEUNXFZNVVGUTN-JJIBRWJFSA-N -1 0 521.771 5.259 50 30 KKEARM Cc1cc(C)c(OS(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)Oc4c(C)cc(C)cc4C)ccc2-3)c(C)c1 ZINC000100565025 554419389 /nfs/dbraw/zinc/41/93/89/554419389.db2.gz ZPDXFRPBLGTSEZ-UHFFFAOYSA-N -1 0 591.707 6.280 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000100580075 554424759 /nfs/dbraw/zinc/42/47/59/554424759.db2.gz HZLINTMBPGABGV-NRFANRHFSA-N -1 0 532.312 6.259 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100603419 554431821 /nfs/dbraw/zinc/43/18/21/554431821.db2.gz YOWZRGPUTJZTCG-QHCPKHFHSA-N -1 0 596.042 5.629 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100674880 554443341 /nfs/dbraw/zinc/44/33/41/554443341.db2.gz GNUSEKUPDRAQFO-DEOSSOPVSA-N -1 0 627.557 6.989 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100677689 554444595 /nfs/dbraw/zinc/44/45/95/554444595.db2.gz UAFZEYCMIXSGRI-QHCPKHFHSA-N -1 0 552.624 6.038 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100679425 554445257 /nfs/dbraw/zinc/44/52/57/554445257.db2.gz QXUXFTMTSIADJG-XMMPIXPASA-N -1 0 580.659 5.607 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100679901 554445731 /nfs/dbraw/zinc/44/57/31/554445731.db2.gz XOUGQNJUQVUHPA-MUUNZHRXSA-N -1 0 636.767 7.024 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100679962 554446061 /nfs/dbraw/zinc/44/60/61/554446061.db2.gz VNFHOLGWEJBYNR-MUUNZHRXSA-N -1 0 612.704 7.382 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100680057 554446073 /nfs/dbraw/zinc/44/60/73/554446073.db2.gz VFUSHGIYHUWLBV-HXUWFJFHSA-N -1 0 528.428 5.571 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000100680240 554446202 /nfs/dbraw/zinc/44/62/02/554446202.db2.gz IWCRUUJZHDGFFB-DEOSSOPVSA-N -1 0 580.659 5.694 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc(OC)c2)nc1C ZINC000100680366 554446396 /nfs/dbraw/zinc/44/63/96/554446396.db2.gz BKOVKFNRELTAIT-XMMPIXPASA-N -1 0 562.644 5.765 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC=C)c(OC)c2)nc1C ZINC000100680384 554446459 /nfs/dbraw/zinc/44/64/59/554446459.db2.gz SXRQZGROTVDUCY-HHHXNRCGSA-N -1 0 618.708 6.330 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccnc2)nc1C ZINC000100680411 554446815 /nfs/dbraw/zinc/44/68/15/554446815.db2.gz HFYHAWNUDVCLJX-JOCHJYFZSA-N -1 0 533.606 5.151 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc(F)c2)nc1C ZINC000100681045 554447202 /nfs/dbraw/zinc/44/72/02/554447202.db2.gz BZMOVZCYIHMLOW-HSZRJFAPSA-N -1 0 550.608 5.895 50 30 KKEARM CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3)C2)cc1 ZINC000059844805 554448379 /nfs/dbraw/zinc/44/83/79/554448379.db2.gz WKMLAVZSZNFSEK-GJBXTBEHSA-N -1 0 537.660 6.298 50 30 KKEARM CCCCC[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100719388 554455162 /nfs/dbraw/zinc/45/51/62/554455162.db2.gz URGZDZHNZBWSBI-ZETCQYMHSA-N -1 0 511.269 6.446 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000100725389 554456708 /nfs/dbraw/zinc/45/67/08/554456708.db2.gz SUQOUTWTBDDPGD-SANMLTNESA-N -1 0 527.750 7.596 50 30 KKEARM C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000100841037 554489439 /nfs/dbraw/zinc/48/94/39/554489439.db2.gz VDUIMSYELFBSAE-COOPMVRXSA-N -1 0 512.060 5.496 50 30 KKEARM COc1cc(C=NNc2nnc3c4cc(C)ccc4nc-3[n-]2)ccc1OCc1ccc(Br)cc1 ZINC000064981640 554523902 /nfs/dbraw/zinc/52/39/02/554523902.db2.gz WKKCRJZRUAEXKJ-UVHMKAGCSA-N -1 0 517.387 5.611 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(Cc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000100934015 554528298 /nfs/dbraw/zinc/52/82/98/554528298.db2.gz KJRBPFYPYHGMJT-MHZLTWQESA-N -1 0 527.518 5.099 50 30 KKEARM Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(Br)c3[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000101002137 554552682 /nfs/dbraw/zinc/55/26/82/554552682.db2.gz XAIIYYIEJFWDKI-NOMMCYAHSA-N -1 0 541.898 7.850 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000101015974 554560140 /nfs/dbraw/zinc/56/01/40/554560140.db2.gz VRIHOOFGNJADRF-NKFKGCMQSA-N -1 0 518.726 5.829 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000101055486 554569486 /nfs/dbraw/zinc/56/94/86/554569486.db2.gz WKYXZGHIFOJSEI-LHLOQNFPSA-N -1 0 577.074 6.193 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1 ZINC000101062662 554570645 /nfs/dbraw/zinc/57/06/45/554570645.db2.gz FMLJJOKGFCAXID-YDJIHCHBSA-N -1 0 515.791 6.014 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101071370 554575754 /nfs/dbraw/zinc/57/57/54/554575754.db2.gz ZAARJYDKVBUCRY-CRICUBBOSA-N -1 0 560.473 6.661 50 30 KKEARM Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000101072716 554576174 /nfs/dbraw/zinc/57/61/74/554576174.db2.gz VILVYIOMSARIFZ-ZHHPLPSFSA-N -1 0 520.379 5.699 50 30 KKEARM CCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000101081482 554578952 /nfs/dbraw/zinc/57/89/52/554578952.db2.gz KYEKYBGAEAIPRU-RVIYGNEXSA-N -1 0 526.250 5.940 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000101277890 554704197 /nfs/dbraw/zinc/70/41/97/554704197.db2.gz DJZJPEFDAIQGNM-MRJHHRETSA-N -1 0 539.009 5.391 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278091 554704471 /nfs/dbraw/zinc/70/44/71/554704471.db2.gz NJMQCYIUAGVBQR-ZHHPLPSFSA-N -1 0 548.617 5.136 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000101278224 554704859 /nfs/dbraw/zinc/70/48/59/554704859.db2.gz LJXBQFNXDZLCPG-PMLJWHLSSA-N -1 0 551.020 5.397 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000101293989 554710564 /nfs/dbraw/zinc/71/05/64/554710564.db2.gz VMRHOCTWBOIHMY-ZHHPLPSFSA-N -1 0 504.514 5.766 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000101294339 554711261 /nfs/dbraw/zinc/71/12/61/554711261.db2.gz QNCYSROSRFPRFL-IUKMQXEJSA-N -1 0 561.015 5.912 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000101310410 554717797 /nfs/dbraw/zinc/71/77/97/554717797.db2.gz CUPJYDLIYNXPMD-IUKMQXEJSA-N -1 0 576.627 5.015 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316897 554724113 /nfs/dbraw/zinc/72/41/13/554724113.db2.gz OXKIEFSDSZCXRX-KXDYMIPJSA-N -1 0 597.718 6.345 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316864 554724119 /nfs/dbraw/zinc/72/41/19/554724119.db2.gz RUCPSDDNCMCQQJ-CJJGVWJISA-N -1 0 617.680 5.932 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000101338300 554735075 /nfs/dbraw/zinc/73/50/75/554735075.db2.gz XIUZOTVCNRUJEB-NDEPHWFRSA-N -1 0 609.704 7.853 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000101344364 554736690 /nfs/dbraw/zinc/73/66/90/554736690.db2.gz OUQVXBRTINMHGV-HHHXNRCGSA-N -1 0 597.693 7.223 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccccc2Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000101429971 554770080 /nfs/dbraw/zinc/77/00/80/554770080.db2.gz SUSTXGWWEMWZOF-PPFNPFNJSA-N -1 0 586.656 7.440 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)S/C2=N/c2ccccc2)cc1 ZINC000101439200 554772547 /nfs/dbraw/zinc/77/25/47/554772547.db2.gz ATPIUDAJKRKSEQ-JLYGMLMHSA-N -1 0 524.558 5.888 50 30 KKEARM O=c1c(N=Nc2cc(Cl)ccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101498720 554787246 /nfs/dbraw/zinc/78/72/46/554787246.db2.gz VNSAQYSACXTVLE-IADYIPOJSA-N -1 0 537.388 6.244 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000101759686 554836624 /nfs/dbraw/zinc/83/66/24/554836624.db2.gz KDPXCOIFLBNQNS-UCAUSMPDSA-N -1 0 573.674 7.201 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000102051221 554871153 /nfs/dbraw/zinc/87/11/53/554871153.db2.gz XFFURAPCAIKUNR-PZGXJGMVSA-N -1 0 535.600 5.854 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1OCC(=O)OC(C)C)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052299 554871639 /nfs/dbraw/zinc/87/16/39/554871639.db2.gz BMKYYBHYHGXBCS-WRGVRERRSA-N -1 0 597.693 6.229 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053180 554872146 /nfs/dbraw/zinc/87/21/46/554872146.db2.gz ZUGWXNOQJHYNCI-WBBHLRKXSA-N -1 0 557.675 7.566 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053716 554872360 /nfs/dbraw/zinc/87/23/60/554872360.db2.gz YQMQZBOKGPDFSC-SGANQWHYSA-N -1 0 550.467 7.205 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 ZINC000102053366 554872401 /nfs/dbraw/zinc/87/24/01/554872401.db2.gz XFGQPLQBQPSOSC-SOKVYYICSA-N -1 0 541.629 5.916 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)CC(=O)c1ccc(OC)cc1 ZINC000102056413 554872889 /nfs/dbraw/zinc/87/28/89/554872889.db2.gz VPLAADAVYBPJMU-UHFFFAOYSA-N -1 0 594.837 9.303 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(-c2ccc(F)cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000102313187 554910269 /nfs/dbraw/zinc/91/02/69/554910269.db2.gz MBHPYCSVJGFAFV-BVNFUTIRSA-N -1 0 635.868 7.448 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102486627 554938472 /nfs/dbraw/zinc/93/84/72/554938472.db2.gz YWEYECSHNIXHMA-ZHHPLPSFSA-N -1 0 596.042 5.472 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102491289 554939409 /nfs/dbraw/zinc/93/94/09/554939409.db2.gz OMSQQAVYGHMMCZ-ZHHPLPSFSA-N -1 0 534.565 5.478 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102493133 554939618 /nfs/dbraw/zinc/93/96/18/554939618.db2.gz DWJDUUBPIUACRA-ZORLYMSLSA-N -1 0 549.623 6.434 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102493639 554940132 /nfs/dbraw/zinc/94/01/32/554940132.db2.gz GAPRIEXLSQFQNH-JBCNATCCSA-N -1 0 541.025 5.613 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102502260 554943393 /nfs/dbraw/zinc/94/33/93/554943393.db2.gz FGSYWPMYLMFQSO-JBCNATCCSA-N -1 0 539.382 5.833 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000102509676 554946051 /nfs/dbraw/zinc/94/60/51/554946051.db2.gz QFSJHZDVBZNSFV-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102520943 554949584 /nfs/dbraw/zinc/94/95/84/554949584.db2.gz GTFPQGOJJCYBDT-MRJHHRETSA-N -1 0 521.938 5.493 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000102522327 554949954 /nfs/dbraw/zinc/94/99/54/554949954.db2.gz HTCUVWXXKZJUKT-SBXHHDGASA-N -1 0 518.566 5.859 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102526408 554952145 /nfs/dbraw/zinc/95/21/45/554952145.db2.gz XGQYZFAVKRWBME-WOOAAIBNSA-N -1 0 547.416 5.488 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102532914 554954758 /nfs/dbraw/zinc/95/47/58/554954758.db2.gz WAUFAOJREBAWGA-HOGKFDNTSA-N -1 0 506.967 5.593 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102536310 554955645 /nfs/dbraw/zinc/95/56/45/554955645.db2.gz CMSIITJRWWGINW-UUALVTFQSA-N -1 0 614.676 5.856 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102539408 554956972 /nfs/dbraw/zinc/95/69/72/554956972.db2.gz SOAYPZBZCUOISZ-AYWGPLOBSA-N -1 0 531.546 5.238 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102541208 554957415 /nfs/dbraw/zinc/95/74/15/554957415.db2.gz NANMRPBCPJYICC-ZHHPLPSFSA-N -1 0 504.995 6.283 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102543280 554958188 /nfs/dbraw/zinc/95/81/88/554958188.db2.gz YDPAUDRJMSVAMI-CJJGVWJISA-N -1 0 600.649 5.466 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102545834 554959098 /nfs/dbraw/zinc/95/90/98/554959098.db2.gz XDVKSIDDZUKSEI-XVTRYDTASA-N -1 0 620.152 6.832 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102545756 554959118 /nfs/dbraw/zinc/95/91/18/554959118.db2.gz DQHAMZZHUJPQHJ-HOGKFDNTSA-N -1 0 549.948 5.255 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102547430 554959959 /nfs/dbraw/zinc/95/99/59/554959959.db2.gz CECIJFWGVKLNEO-CJJGVWJISA-N -1 0 526.614 6.056 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102551380 554961989 /nfs/dbraw/zinc/96/19/89/554961989.db2.gz JJQBQLNPHNFHHE-GMBUILNLSA-N -1 0 516.550 5.394 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1cccs1 ZINC000102555901 554964385 /nfs/dbraw/zinc/96/43/85/554964385.db2.gz MNZFGGHGPKVYSQ-LFVOPCPISA-N -1 0 507.618 5.224 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102559884 554967234 /nfs/dbraw/zinc/96/72/34/554967234.db2.gz PUNSBCOZYYCYSA-DFXXOVSGSA-N -1 0 597.048 7.140 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102578766 554971686 /nfs/dbraw/zinc/97/16/86/554971686.db2.gz NKIMSCYZXSSDFA-ZHHPLPSFSA-N -1 0 561.616 5.367 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1 ZINC000102584119 554972737 /nfs/dbraw/zinc/97/27/37/554972737.db2.gz SZFWHPDKXNZWNQ-SBXHHDGASA-N -1 0 513.575 5.066 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102586686 554973322 /nfs/dbraw/zinc/97/33/22/554973322.db2.gz ATMHPCNGIXYPLZ-ONQGDUAMSA-N -1 0 585.638 5.222 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102590449 554973799 /nfs/dbraw/zinc/97/37/99/554973799.db2.gz CDTDKIKXMVTYGJ-CZNAVJSXSA-N -1 0 603.697 6.490 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597709 554977145 /nfs/dbraw/zinc/97/71/45/554977145.db2.gz SGNBHFLAHISLHQ-CZNAVJSXSA-N -1 0 601.706 6.017 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102598572 554977392 /nfs/dbraw/zinc/97/73/92/554977392.db2.gz FDKIWNXGOAIYNU-NPJIAGGLSA-N -1 0 622.124 6.280 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102598901 554977425 /nfs/dbraw/zinc/97/74/25/554977425.db2.gz IGHWROWUBAYKIH-WRPQUVRJSA-N -1 0 594.089 6.573 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102600592 554977640 /nfs/dbraw/zinc/97/76/40/554977640.db2.gz TYYVOUWXXDTTBI-TXTDGAROSA-N -1 0 629.760 6.797 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102602816 554978184 /nfs/dbraw/zinc/97/81/84/554978184.db2.gz PMEKKOHHBFCNGD-TXTDGAROSA-N -1 0 623.712 6.390 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102605906 554978888 /nfs/dbraw/zinc/97/88/88/554978888.db2.gz RYQRRBDWWULGDM-NXLSWJSLSA-N -1 0 592.098 6.190 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606164 554979034 /nfs/dbraw/zinc/97/90/34/554979034.db2.gz WDEVPHKYIARATE-SANMLTNESA-N -1 0 557.628 5.534 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102611945 554981723 /nfs/dbraw/zinc/98/17/23/554981723.db2.gz WZZCXJPVAZUMLG-NPJIAGGLSA-N -1 0 605.669 5.766 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102618789 554985579 /nfs/dbraw/zinc/98/55/79/554985579.db2.gz OPFKIJOFEDPWME-HOGKFDNTSA-N -1 0 517.887 6.002 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102621257 554987079 /nfs/dbraw/zinc/98/70/79/554987079.db2.gz RRJRXYUKRBHSHM-DFXXOVSGSA-N -1 0 629.760 6.715 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102622291 554987383 /nfs/dbraw/zinc/98/73/83/554987383.db2.gz SRCRHELPRPYMBF-XMMPIXPASA-N -1 0 578.643 5.389 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000102644817 554991647 /nfs/dbraw/zinc/99/16/47/554991647.db2.gz UAZDRRZARBCXJA-IUKMQXEJSA-N -1 0 527.602 5.369 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102651517 554996124 /nfs/dbraw/zinc/99/61/24/554996124.db2.gz PGLWOUMMOXGRTE-JBODOUGHSA-N -1 0 581.477 6.952 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102653991 554997428 /nfs/dbraw/zinc/99/74/28/554997428.db2.gz AFCBXSBZWIIEOU-YMCWBSDSSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102653995 554997477 /nfs/dbraw/zinc/99/74/77/554997477.db2.gz AFCBXSBZWIIEOU-XLNMUAQOSA-N -1 0 520.969 6.039 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102654280 554997715 /nfs/dbraw/zinc/99/77/15/554997715.db2.gz VBLZKRPHIIHGBV-SBXHHDGASA-N -1 0 595.029 5.373 50 30 KKEARM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OCC ZINC000102655710 554998337 /nfs/dbraw/zinc/99/83/37/554998337.db2.gz ICJBSHULJCAZFF-UZGIXAGNSA-N -1 0 598.721 7.132 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102680771 555005225 /nfs/dbraw/zinc/00/52/25/555005225.db2.gz JHQYXTFUCUPEGS-XTUFCYCQSA-N -1 0 609.704 7.072 50 30 KKEARM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102692952 555008815 /nfs/dbraw/zinc/00/88/15/555008815.db2.gz HQJFCRSKQICZEE-CZNAVJSXSA-N -1 0 542.657 6.546 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000102705541 555014372 /nfs/dbraw/zinc/01/43/72/555014372.db2.gz BXPWCXLDGWWVNQ-NXLSWJSLSA-N -1 0 530.602 5.565 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102710760 555016418 /nfs/dbraw/zinc/01/64/18/555016418.db2.gz ODHRLFOLMJIUEQ-MRJHHRETSA-N -1 0 523.408 6.149 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102717145 555019363 /nfs/dbraw/zinc/01/93/63/555019363.db2.gz RCBYLTDSNHMKCM-YDJIHCHBSA-N -1 0 525.449 6.309 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736970 555026436 /nfs/dbraw/zinc/02/64/36/555026436.db2.gz TWAIIZIRKRLBJO-WGQAXHKASA-N -1 0 543.557 5.163 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737015 555026722 /nfs/dbraw/zinc/02/67/22/555026722.db2.gz HZBMRQDECDMLNG-JFTLGNCFSA-N -1 0 557.584 5.553 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770806 555058180 /nfs/dbraw/zinc/05/81/80/555058180.db2.gz MYNPSRVRPGBLNR-RSERVXPISA-N -1 0 555.414 6.692 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771070 555059329 /nfs/dbraw/zinc/05/93/29/555059329.db2.gz PVQYELIFUBRXEV-XLNMUAQOSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102771109 555059656 /nfs/dbraw/zinc/05/96/56/555059656.db2.gz KSIJWZJCDYZFEB-XLNMUAQOSA-N -1 0 520.969 6.039 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771302 555059978 /nfs/dbraw/zinc/05/99/78/555059978.db2.gz BQXRHKGOCCDQNE-IIHDFJPDSA-N -1 0 590.126 6.742 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771314 555060018 /nfs/dbraw/zinc/06/00/18/555060018.db2.gz PBDLXELTLIFQJU-BBHOXHGRSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771272 555060058 /nfs/dbraw/zinc/06/00/58/555060058.db2.gz LMIYFPDDGYERDB-YMCWBSDSSA-N -1 0 537.424 6.553 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102857006 555088327 /nfs/dbraw/zinc/08/83/27/555088327.db2.gz MLMUPUUDKVEUJS-HOGKFDNTSA-N -1 0 541.412 6.247 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862025 555091919 /nfs/dbraw/zinc/09/19/19/555091919.db2.gz QZMXZKSYYRESPX-CZNAVJSXSA-N -1 0 617.705 6.116 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102863374 555093190 /nfs/dbraw/zinc/09/31/90/555093190.db2.gz DLWZBESOHXRPLD-CZNAVJSXSA-N -1 0 542.657 6.627 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102863454 555093234 /nfs/dbraw/zinc/09/32/34/555093234.db2.gz UAXWDUHMRAJIOH-MRJHHRETSA-N -1 0 539.407 5.985 50 30 KKEARM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1 ZINC000102865410 555094795 /nfs/dbraw/zinc/09/47/95/555094795.db2.gz ZRBLHKZAHHQHET-QKJBWNOYSA-N -1 0 514.603 5.865 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102866553 555095745 /nfs/dbraw/zinc/09/57/45/555095745.db2.gz KDEAEOWSAUDZPZ-GHNGSUTGSA-N -1 0 527.396 5.017 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867409 555096974 /nfs/dbraw/zinc/09/69/74/555096974.db2.gz GOBMUBCWDWJZOW-YYXRCVDTSA-N -1 0 577.058 6.307 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867415 555096982 /nfs/dbraw/zinc/09/69/82/555096982.db2.gz GOBMUBCWDWJZOW-FZIUWASMSA-N -1 0 577.058 6.307 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102871340 555101876 /nfs/dbraw/zinc/10/18/76/555101876.db2.gz AUJMPQWYICKDBR-NXLSWJSLSA-N -1 0 500.551 5.796 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102874704 555104837 /nfs/dbraw/zinc/10/48/37/555104837.db2.gz MHBHRDXRXTVGNB-SBXHHDGASA-N -1 0 564.591 5.486 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102877897 555107251 /nfs/dbraw/zinc/10/72/51/555107251.db2.gz XOJOXGDJFTUDKS-NXLSWJSLSA-N -1 0 518.566 5.859 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102878408 555107829 /nfs/dbraw/zinc/10/78/29/555107829.db2.gz BEQDDVGCALKRQQ-GHNGSUTGSA-N -1 0 500.935 5.047 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102881362 555110209 /nfs/dbraw/zinc/11/02/09/555110209.db2.gz GBYVGOLEMFYEOZ-HOGKFDNTSA-N -1 0 501.520 5.230 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102882907 555111395 /nfs/dbraw/zinc/11/13/95/555111395.db2.gz QPUGTNJIYCUKMK-ZHHPLPSFSA-N -1 0 520.538 5.088 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102884719 555114234 /nfs/dbraw/zinc/11/42/34/555114234.db2.gz CBIMUKNYNYMTQB-IUKMQXEJSA-N -1 0 599.621 5.660 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102884881 555114786 /nfs/dbraw/zinc/11/47/86/555114786.db2.gz CHPGYZBORIXQJL-SBXHHDGASA-N -1 0 517.006 6.310 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000102884877 555114857 /nfs/dbraw/zinc/11/48/57/555114857.db2.gz CHPGYZBORIXQJL-NXLSWJSLSA-N -1 0 517.006 6.310 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000102885067 555115146 /nfs/dbraw/zinc/11/51/46/555115146.db2.gz YFKGHZHUZYLWMN-MRJHHRETSA-N -1 0 501.589 5.162 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccccc1 ZINC000102885065 555115158 /nfs/dbraw/zinc/11/51/58/555115158.db2.gz YFKGHZHUZYLWMN-JBCNATCCSA-N -1 0 501.589 5.162 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886066 555116311 /nfs/dbraw/zinc/11/63/11/555116311.db2.gz LRAVKVKLASRJQM-JRPVAJNPSA-N -1 0 591.483 6.407 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886061 555116360 /nfs/dbraw/zinc/11/63/60/555116360.db2.gz LRAVKVKLASRJQM-CGKJMNDRSA-N -1 0 591.483 6.407 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886511 555117031 /nfs/dbraw/zinc/11/70/31/555117031.db2.gz ZQXUWSYQDGMJKD-KNZGKXHUSA-N -1 0 561.015 5.686 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1 ZINC000102887277 555118430 /nfs/dbraw/zinc/11/84/30/555118430.db2.gz YHCSAOMNLDRWJU-HOGKFDNTSA-N -1 0 520.588 5.154 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102887957 555120500 /nfs/dbraw/zinc/12/05/00/555120500.db2.gz SDMGYVAKCMSBID-JBCNATCCSA-N -1 0 558.226 5.632 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888629 555121745 /nfs/dbraw/zinc/12/17/45/555121745.db2.gz YBLJCKVYHLNPIU-FZIYRNTBSA-N -1 0 617.724 6.708 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888849 555122400 /nfs/dbraw/zinc/12/24/00/555122400.db2.gz OTRCYTZUMXLPFG-CGKJMNDRSA-N -1 0 547.032 6.298 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888852 555122464 /nfs/dbraw/zinc/12/24/64/555122464.db2.gz OTRCYTZUMXLPFG-JFTLGNCFSA-N -1 0 547.032 6.298 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000102888970 555122685 /nfs/dbraw/zinc/12/26/85/555122685.db2.gz FICRXUJVGOLQHQ-NHFXJNLRSA-N -1 0 504.593 5.062 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102890227 555125278 /nfs/dbraw/zinc/12/52/78/555125278.db2.gz HOXAEDYQXMPAGZ-SBXHHDGASA-N -1 0 527.558 5.565 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892717 555129042 /nfs/dbraw/zinc/12/90/42/555129042.db2.gz YXHABXSFOQDFLG-WGQAXHKASA-N -1 0 544.560 5.172 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000102893630 555131367 /nfs/dbraw/zinc/13/13/67/555131367.db2.gz HBLHPJWNWZFGQP-ONQGDUAMSA-N -1 0 588.638 5.500 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102894000 555132010 /nfs/dbraw/zinc/13/20/10/555132010.db2.gz KCMYPNPNDFSGBE-ZZIWUOEGSA-N -1 0 567.450 6.617 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897426 555137887 /nfs/dbraw/zinc/13/78/87/555137887.db2.gz HUHSWABZFOOHEP-QDMOOSCLSA-N -1 0 549.004 5.614 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898256 555138447 /nfs/dbraw/zinc/13/84/47/555138447.db2.gz HWYPPSNSBGXLNK-KNZGKXHUSA-N -1 0 533.005 5.908 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102926537 555151141 /nfs/dbraw/zinc/15/11/41/555151141.db2.gz MWUXJROOSSNIBB-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM CCCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000102927822 555152692 /nfs/dbraw/zinc/15/26/92/555152692.db2.gz ANWHUMNJKJLXMM-UHFFFAOYSA-N -1 0 553.728 8.295 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102929499 555155279 /nfs/dbraw/zinc/15/52/79/555155279.db2.gz PFKLJEKUFRRYAV-LFVOPCPISA-N -1 0 514.719 5.032 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102929720 555155814 /nfs/dbraw/zinc/15/58/14/555155814.db2.gz XNTVMBNJIBPMDK-HOGKFDNTSA-N -1 0 508.958 6.114 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102931064 555158344 /nfs/dbraw/zinc/15/83/44/555158344.db2.gz HBZDRMVNWJGSGK-AYWGPLOBSA-N -1 0 520.538 5.088 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102931333 555158746 /nfs/dbraw/zinc/15/87/46/555158746.db2.gz QXSKHKRNEYATMD-MOBKVPTQSA-N -1 0 535.965 5.883 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102935127 555162507 /nfs/dbraw/zinc/16/25/07/555162507.db2.gz AAHFADSSALNAJP-YDJIHCHBSA-N -1 0 510.999 5.641 50 30 KKEARM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4C#N)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103410271 555396380 /nfs/dbraw/zinc/39/63/80/555396380.db2.gz CVEGJBASDLPKHM-UHFFFAOYSA-N -1 0 582.663 5.357 50 30 KKEARM COc1cc(/C=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103698942 555463978 /nfs/dbraw/zinc/46/39/78/555463978.db2.gz OSNFHLNSUXYCMP-OVENYABFSA-N -1 0 548.705 6.910 50 30 KKEARM C=C(C)COc1cc([C@@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)ccc1OC ZINC000108451408 571425707 /nfs/dbraw/zinc/42/57/07/571425707.db2.gz HGQPXDPYODWARJ-LJQANCHMSA-N -1 0 532.545 5.235 50 30 biogenic KKEARM N#Cc1c2c(sc1N1C(=O)C[C@@H](Sc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3)C1=O)-c1ccccc1CC2 ZINC000113628196 571441657 /nfs/dbraw/zinc/44/16/57/571441657.db2.gz VGAQBAZGXVDATF-RUZDIDTESA-N -1 0 579.659 5.760 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919033 571445423 /nfs/dbraw/zinc/44/54/23/571445423.db2.gz LDEPIPTXRUTPCM-JNBYWIJRSA-N -1 0 559.707 5.142 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000150351861 571462205 /nfs/dbraw/zinc/46/22/05/571462205.db2.gz LLXAYXNOQHEGOJ-BQTHQZBGSA-N -1 0 653.080 8.236 50 30 KKEARM CCN(CC)c1ccc2c(C=CC=CC=C3N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4[C@@]3(C)CCCC(=O)ON3C(=O)CCC3=O)cc(C(C)(C)C)[o+]c2c1 ZINC000150351538 571462226 /nfs/dbraw/zinc/46/22/26/571462226.db2.gz IVRJBOUZBBVMCD-HUESYALOSA-O -1 0 839.022 6.710 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000150352553 571462576 /nfs/dbraw/zinc/46/25/76/571462576.db2.gz ZHHAAYTUJBWLCG-YCPBAFNGSA-N -1 0 635.026 7.467 50 30 KKEARM Cc1c(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000150358687 571463654 /nfs/dbraw/zinc/46/36/54/571463654.db2.gz AQNWJVYRPADMFO-VVEOGCPPSA-N -1 0 781.439 6.490 50 30 KKEARM [O-]c1c(Br)cc(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)cc1Br ZINC000150363652 571464307 /nfs/dbraw/zinc/46/43/07/571464307.db2.gz VJSRLZXJSCFDAT-KIBLKLHPSA-N -1 0 613.194 8.332 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[C@@H](/N=N/c2c(C)n[nH]c2C)C1 ZINC000150395369 571475943 /nfs/dbraw/zinc/47/59/43/571475943.db2.gz GJHKDMBRGNBVRG-ZKNRFKLUSA-N -1 0 721.969 10.077 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417234 571486063 /nfs/dbraw/zinc/48/60/63/571486063.db2.gz HCAHEUHRPNCUGH-VXJPNWOUSA-N -1 0 643.787 6.886 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417223 571486208 /nfs/dbraw/zinc/48/62/08/571486208.db2.gz HCAHEUHRPNCUGH-QBCYBHDASA-N -1 0 643.787 6.886 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418403 571486459 /nfs/dbraw/zinc/48/64/59/571486459.db2.gz JCTKKPYJMAPTQD-WKUSSTJHSA-N -1 0 647.750 6.717 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422208 571488075 /nfs/dbraw/zinc/48/80/75/571488075.db2.gz VESWORFXTAHDFI-NNZNMFTDSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422211 571488298 /nfs/dbraw/zinc/48/82/98/571488298.db2.gz VESWORFXTAHDFI-JNYBUSFRSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424758 571489382 /nfs/dbraw/zinc/48/93/82/571489382.db2.gz GBPUHCCXKPGCJX-XXAHXYPMSA-N -1 0 740.731 8.911 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426371 571490625 /nfs/dbraw/zinc/49/06/25/571490625.db2.gz RSWKTUBHJPCSQE-SBXHHDGASA-N -1 0 636.107 5.668 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426670 571490990 /nfs/dbraw/zinc/49/09/90/571490990.db2.gz YOZWDEBXMQWRAT-TXTDGAROSA-N -1 0 651.722 6.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000150435337 571495284 /nfs/dbraw/zinc/49/52/84/571495284.db2.gz HKPVEOLRDSIAQY-SSEXGKCCSA-N -1 0 640.758 8.018 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435586 571495535 /nfs/dbraw/zinc/49/55/35/571495535.db2.gz PMSLSEYZZZLOFU-BPBRYWPMSA-N -1 0 741.891 8.911 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435595 571495610 /nfs/dbraw/zinc/49/56/10/571495610.db2.gz PMSLSEYZZZLOFU-PUPPBXBUSA-N -1 0 741.891 8.911 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435784 571495826 /nfs/dbraw/zinc/49/58/26/571495826.db2.gz JMKZGBZYOJWNMA-SZYGQJGOSA-N -1 0 728.248 7.859 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439732 571497660 /nfs/dbraw/zinc/49/76/60/571497660.db2.gz UCYRZWYTLNYIBE-HUVRIODYSA-N -1 0 691.831 7.758 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440084 571497820 /nfs/dbraw/zinc/49/78/20/571497820.db2.gz UYEXYXJSTSWRPN-SZYGQJGOSA-N -1 0 711.793 7.345 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445579 571500586 /nfs/dbraw/zinc/50/05/86/571500586.db2.gz WLDZAZUWZKYCOL-GYBOJBDRSA-N -1 0 647.778 7.359 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446808 571501116 /nfs/dbraw/zinc/50/11/16/571501116.db2.gz KHBYPCXXTNRGHC-DZTJFIFISA-N -1 0 648.206 7.612 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446817 571501145 /nfs/dbraw/zinc/50/11/45/571501145.db2.gz KHBYPCXXTNRGHC-LOOKCOSASA-N -1 0 648.206 7.612 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150448820 571501863 /nfs/dbraw/zinc/50/18/63/571501863.db2.gz FNNBOMBCALBAGJ-MIOXIQPJSA-N -1 0 640.714 6.325 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150456355 571504494 /nfs/dbraw/zinc/50/44/94/571504494.db2.gz HEGBMJYEKCELLC-RJIUIVJKSA-N -1 0 672.759 8.100 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457516 571504949 /nfs/dbraw/zinc/50/49/49/571504949.db2.gz NRFLOGLIMJYIIX-QJGFIUGVSA-N -1 0 645.778 7.488 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457544 571505021 /nfs/dbraw/zinc/50/50/21/571505021.db2.gz ZXSIOKUULPFQPW-QMNXYOJKSA-N -1 0 675.804 7.497 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457975 571505178 /nfs/dbraw/zinc/50/51/78/571505178.db2.gz LCLFXFGTOJEZFG-DNNDWWBDSA-N -1 0 643.787 6.968 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457912 571505338 /nfs/dbraw/zinc/50/53/38/571505338.db2.gz OYVLFCJSEYMCOG-JNYBUSFRSA-N -1 0 665.768 7.498 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460311 571505868 /nfs/dbraw/zinc/50/58/68/571505868.db2.gz PSQUSMYICFTOTI-QMNXYOJKSA-N -1 0 692.259 8.011 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462754 571506754 /nfs/dbraw/zinc/50/67/54/571506754.db2.gz MBJLCGGBLNTLAV-NNZNMFTDSA-N -1 0 706.286 8.401 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463191 571507052 /nfs/dbraw/zinc/50/70/52/571507052.db2.gz IJVXLJJBEOTLQE-QBCYBHDASA-N -1 0 645.778 7.344 50 30 KKEARM O=[N+]([O-])c1cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2c1-c1c(cc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])C2=N[O-] ZINC000150463879 571507465 /nfs/dbraw/zinc/50/74/65/571507465.db2.gz PQVZTEUBRQMIBM-UHFFFAOYSA-N -1 0 909.433 7.057 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464015 571507700 /nfs/dbraw/zinc/50/77/00/571507700.db2.gz DXVHJJDRGKOWGR-HOTYXSFQSA-N -1 0 623.481 5.731 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150466153 571507949 /nfs/dbraw/zinc/50/79/49/571507949.db2.gz MXAJRSUWDWHJCK-DNNDWWBDSA-N -1 0 645.778 7.488 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150467662 571508247 /nfs/dbraw/zinc/50/82/47/571508247.db2.gz QTWKMCUUIUGIDG-WGGXKBPPSA-N -1 0 637.739 6.780 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469635 571508753 /nfs/dbraw/zinc/50/87/53/571508753.db2.gz YZGVDIIXQZDQFR-HWTUVFLMSA-N -1 0 676.216 7.397 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150469569 571508778 /nfs/dbraw/zinc/50/87/78/571508778.db2.gz NLGCCBHKMREHBL-CZNAVJSXSA-N -1 0 634.135 6.446 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150469954 571509020 /nfs/dbraw/zinc/50/90/20/571509020.db2.gz KQNDPJWQAGXGHK-MIOXIQPJSA-N -1 0 694.231 7.459 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150471577 571509546 /nfs/dbraw/zinc/50/95/46/571509546.db2.gz VETUPAJPKBPDAA-DFXXOVSGSA-N -1 0 664.205 7.306 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471599 571509587 /nfs/dbraw/zinc/50/95/87/571509587.db2.gz ZBTBGLGJEGZDSE-FLJNSMSWSA-N -1 0 710.661 8.050 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150472769 571510196 /nfs/dbraw/zinc/51/01/96/571510196.db2.gz QQRZUGDTNAWCKG-DFXXOVSGSA-N -1 0 678.188 6.845 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150475146 571510680 /nfs/dbraw/zinc/51/06/80/571510680.db2.gz VANUDINXPKNXCS-WGGXKBPPSA-N -1 0 657.770 6.500 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150478130 571511414 /nfs/dbraw/zinc/51/14/14/571511414.db2.gz RKCLOGHTGKCVHK-TXTDGAROSA-N -1 0 680.204 7.069 50 30 KKEARM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479442 571511617 /nfs/dbraw/zinc/51/16/17/571511617.db2.gz PDMDNGJPODFPCH-VEZPTTSMSA-N -1 0 635.767 7.505 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150481069 571512254 /nfs/dbraw/zinc/51/22/54/571512254.db2.gz UDOIESNLNHXRJU-RJIUIVJKSA-N -1 0 709.846 7.959 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481372 571512573 /nfs/dbraw/zinc/51/25/73/571512573.db2.gz IKCPSXMSZSRKNV-QBTYMPIYSA-N -1 0 668.624 7.876 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484895 571515468 /nfs/dbraw/zinc/51/54/68/571515468.db2.gz JSDQHWDQKBHQLC-ZORLYMSLSA-N -1 0 687.840 7.504 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1cccnc1 ZINC000150485885 571516172 /nfs/dbraw/zinc/51/61/72/571516172.db2.gz XCTDZLDNGKNUOA-AREMUKBSSA-N -1 0 633.780 7.593 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486362 571516276 /nfs/dbraw/zinc/51/62/76/571516276.db2.gz WGGTVAGDGFMINY-NXLSVDECSA-N -1 0 726.704 8.665 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486749 571516527 /nfs/dbraw/zinc/51/65/27/571516527.db2.gz OFJQFMSNVJIRTN-SMOAUKQDSA-N -1 0 716.668 8.666 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150488562 571516911 /nfs/dbraw/zinc/51/69/11/571516911.db2.gz YYJBDMLLDXSEMQ-VEZPTTSMSA-N -1 0 673.813 7.196 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150488563 571516925 /nfs/dbraw/zinc/51/69/25/571516925.db2.gz YYJBDMLLDXSEMQ-QMMFTLRZSA-N -1 0 673.813 7.196 50 30 KKEARM CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N/N=c2\sc3ccc(S(=O)(=O)[O-])cc3n2C)c1 ZINC000150588493 571522062 /nfs/dbraw/zinc/52/20/62/571522062.db2.gz QTWYLBSANATVSX-MVJHLKBCSA-N -1 0 717.014 6.383 50 30 KKEARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)/C(=N\[O-])c2cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc2-3)c(C)c1 ZINC000198698741 571568551 /nfs/dbraw/zinc/56/85/51/571568551.db2.gz JWVHDPYOAJMMSJ-QVIHXGFCSA-N -1 0 561.685 5.729 50 30 KKEARM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(OC(F)(F)F)cc2)=C([O-])C1=O ZINC000218509052 571603797 /nfs/dbraw/zinc/60/37/97/571603797.db2.gz UYJJXHXBLZICNC-ROUUACIJSA-N -1 0 632.462 5.253 50 30 KKEARM CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1 ZINC000263585941 572121032 /nfs/dbraw/zinc/12/10/32/572121032.db2.gz OBOSRLXSIHLKNW-VWLOTQADSA-N -1 0 507.026 7.457 50 30 KKEARM COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(-c4ccc(C(=O)[O-])cc4)o2)CC(=O)O3)C1=O ZINC000263586412 572123159 /nfs/dbraw/zinc/12/31/59/572123159.db2.gz UDXAFPBXIIBTSO-FQOPDIHJSA-N -1 0 508.482 5.711 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(Nc3ccc(Br)cc3)C4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245226465 572204000 /nfs/dbraw/zinc/20/40/00/572204000.db2.gz YQNZQGYHBNTVJA-BQRBMFCOSA-N -1 0 865.771 5.833 50 30 KKEARM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000252463106 572261330 /nfs/dbraw/zinc/26/13/30/572261330.db2.gz YXCVSPDPSODQPU-UHFFFAOYSA-N -1 0 570.394 6.810 50 30 KKEARM [O-]c1c(I)cc(Br)cc1C=Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000252588388 572266378 /nfs/dbraw/zinc/26/63/78/572266378.db2.gz ABUZXYCEOUQAHF-UHFFFAOYSA-N -1 0 553.581 6.972 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(I)c4[O-])ccc3o2)cc1 ZINC000252599409 572267286 /nfs/dbraw/zinc/26/72/86/572267286.db2.gz DINOOIGUMANSKL-UHFFFAOYSA-N -1 0 530.793 7.507 50 30 KKEARM Cc1cc(C=Nc2ccc(Oc3ccc(N=Cc4cc(C)cc([N+](=O)[O-])c4[O-])cc3)cc2)c([O-])c([N+](=O)[O-])c1 ZINC000252610775 572268210 /nfs/dbraw/zinc/26/82/10/572268210.db2.gz IDLUHPONXXNRJW-UHFFFAOYSA-N -1 0 526.505 6.825 50 30 KKEARM Cc1cccc(-c2nc3cc(N=Cc4cc(I)cc(I)c4[O-])ccc3o2)c1 ZINC000252618109 572269161 /nfs/dbraw/zinc/26/91/61/572269161.db2.gz LDWQYRLZPDPJMR-UHFFFAOYSA-N -1 0 580.163 6.469 50 30 KKEARM CCOC(=O)c1c(N=Cc2cc(I)cc(I)c2[O-])sc2c1CCCC2 ZINC000252623120 572269851 /nfs/dbraw/zinc/26/98/51/572269851.db2.gz OKORXSZPFRIHPP-UHFFFAOYSA-N -1 0 581.213 5.469 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000252622830 572269920 /nfs/dbraw/zinc/26/99/20/572269920.db2.gz ODRRAVGGZDOGIU-NKUBWSILSA-N -1 0 557.455 6.903 50 30 KKEARM CCOc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000252625092 572270380 /nfs/dbraw/zinc/27/03/80/572270380.db2.gz QDAYYTQMTDFZOG-UHFFFAOYSA-N -1 0 516.189 6.875 50 30 KKEARM COc1cc(OC)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000252627110 572270672 /nfs/dbraw/zinc/27/06/72/572270672.db2.gz RMTWIOHNZPXRDG-SNSUMWEISA-N -1 0 553.434 5.969 50 30 KKEARM C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000252627551 572270782 /nfs/dbraw/zinc/27/07/82/572270782.db2.gz RWVAAUQAHSQQJX-JOCHJYFZSA-N -1 0 560.202 5.600 50 30 KKEARM O=C1c2ccccc2C(=Nc2ccc(N=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)[C@H]1c1ccccc1 ZINC000252630307 572271234 /nfs/dbraw/zinc/27/12/34/572271234.db2.gz UZAYYQAXMWJCPB-RUZDIDTESA-N -1 0 540.373 6.914 50 30 KKEARM Cc1c(NC(=O)CSc2nc3ccc(N=Cc4cc(Cl)ccc4O)cc3s2)c(=O)n(-c2ccccc2)n1C ZINC000252630107 572271343 /nfs/dbraw/zinc/27/13/43/572271343.db2.gz UUSOUDWOYYDYJP-UHFFFAOYSA-N -1 0 564.092 5.935 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000252631854 572271455 /nfs/dbraw/zinc/27/14/55/572271455.db2.gz VNIARWQECZNNRQ-FDHMRPASSA-N -1 0 589.467 7.124 50 30 KKEARM CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252634678 572271747 /nfs/dbraw/zinc/27/17/47/572271747.db2.gz WQLRKOBPAFFREH-KZATZCNQSA-N -1 0 540.233 5.328 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000252680032 572281459 /nfs/dbraw/zinc/28/14/59/572281459.db2.gz UUSRSOMFQHDJAD-KXIPWAHOSA-N -1 0 535.681 5.022 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(/C=N/N5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000253388497 572282948 /nfs/dbraw/zinc/28/29/48/572282948.db2.gz YZTXXSCFLBMQBH-WOTAFULESA-N -1 0 806.954 5.365 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3c(OC(C)C)ccc4ccccc43)C1=O)O2 ZINC000253412362 572287804 /nfs/dbraw/zinc/28/78/04/572287804.db2.gz QTFGAUXOWXANMG-PBSTWTITSA-N -1 0 541.600 5.299 50 30 KKEARM C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253412386 572288090 /nfs/dbraw/zinc/28/80/90/572288090.db2.gz QVQQZFDSZCCDHR-IBGZPJMESA-N -1 0 518.949 6.224 50 30 KKEARM CC1(C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000253487741 572290807 /nfs/dbraw/zinc/29/08/07/572290807.db2.gz PFEQIEUTCKQPGL-JXHVWLOESA-N -1 0 616.836 5.266 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253498938 572292993 /nfs/dbraw/zinc/29/29/93/572292993.db2.gz BCBXQCAEFQEDQZ-OPRYXQAESA-N -1 0 584.838 7.984 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253501602 572294737 /nfs/dbraw/zinc/29/47/37/572294737.db2.gz MGUKBGMXAHYHQC-CYSTZLKDSA-N -1 0 546.708 5.061 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253503101 572295843 /nfs/dbraw/zinc/29/58/43/572295843.db2.gz DUFLDRKJKWPJLH-HOGSETOJSA-N -1 0 570.771 5.692 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253503386 572295898 /nfs/dbraw/zinc/29/58/98/572295898.db2.gz LTSNJOBYKAGBLS-DDHKPWLBSA-N -1 0 632.882 9.131 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253504165 572296415 /nfs/dbraw/zinc/29/64/15/572296415.db2.gz QEJFEIOBCOMMKR-URABYYFISA-N -1 0 609.720 5.041 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533374 572299411 /nfs/dbraw/zinc/29/94/11/572299411.db2.gz JFBCPEYXJIIHIY-FORQZISESA-N -1 0 558.760 5.238 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NCc5ccc(C(=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533406 572299434 /nfs/dbraw/zinc/29/94/34/572299434.db2.gz JWCOSNOSGWGQBB-GFKPWYBFSA-N -1 0 520.670 5.542 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533719 572299560 /nfs/dbraw/zinc/29/95/60/572299560.db2.gz QEJFEIOBCOMMKR-WZHFWGKISA-N -1 0 609.720 5.041 50 30 KKEARM CC[C@H](C)[C@@H](NC(=O)CON=C1C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000253533680 572299573 /nfs/dbraw/zinc/29/95/73/572299573.db2.gz PLKXUFTWZZOUBY-VGWTWQHFSA-N -1 0 500.680 5.143 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534111 572299812 /nfs/dbraw/zinc/29/98/12/572299812.db2.gz ZKLSMMQOZBNCNB-IGGZEZEISA-N -1 0 556.744 5.014 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000254764560 572303491 /nfs/dbraw/zinc/30/34/91/572303491.db2.gz MBZDNWOFYBFREC-FEJAXNNGSA-N -1 0 893.184 14.115 50 30 KKEARM CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)NN=c2cc(-c3ccccc3)n(C)c3ccc(S(=O)(=O)[O-])cc32)c1 ZINC000254764447 572303498 /nfs/dbraw/zinc/30/34/98/572303498.db2.gz DLQOEMZLJGUEHI-UHFFFAOYSA-N -1 0 787.083 7.988 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CCCc4c5cccc(Cl)c5[nH]c43)C1=O)O2 ZINC000263584745 1071122934 /nfs/dbraw/zinc/12/29/34/1071122934.db2.gz ABURYXLXMAEFFA-RCNHOCHMSA-N -1 0 547.007 5.371 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)N=C1N=CNN1[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000824567253 1071282022 /nfs/dbraw/zinc/28/20/22/1071282022.db2.gz PFVPBPSDVNPFMV-VNKMWNCPSA-N -1 0 637.432 5.105 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)N=C1N=CNN1[C@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000824567242 1071282322 /nfs/dbraw/zinc/28/23/22/1071282322.db2.gz PFVPBPSDVNPFMV-JULMHGQHSA-N -1 0 637.432 5.105 50 30 KKEARM C=C(C)COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)ccc1OC ZINC000217797829 1071293054 /nfs/dbraw/zinc/29/30/54/1071293054.db2.gz VXDYVOMHJKDTSM-GOSISDBHSA-N -1 0 530.529 5.284 50 30 biogenic KKEARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2ccc(OC(C)C)cc2)C(=O)C1=O ZINC000218045820 1071294959 /nfs/dbraw/zinc/29/49/59/1071294959.db2.gz IVRGCYVTBVNKGS-DNQXCXABSA-N -1 0 580.630 5.031 50 30 biogenic KKEARM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)C(F)(F)F)CC[C@@]34C)[C@@H]2[C@H]1C ZINC000685945313 1072826604 /nfs/dbraw/zinc/82/66/04/1072826604.db2.gz AVOFSEXEASXKKJ-ATPYRYGUSA-N -1 0 566.701 7.382 50 30 KKEARM COC(=O)c1ccc(COc2ccccc2CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000254364265 1072849241 /nfs/dbraw/zinc/84/92/41/1072849241.db2.gz KLZVVCHZLTXUHE-UHFFFAOYSA-N -1 0 590.614 5.216 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000254379771 1072850117 /nfs/dbraw/zinc/85/01/17/1072850117.db2.gz WSZUURGTUXHHHX-UHFFFAOYSA-N -1 0 533.610 5.566 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000254597567 1072866914 /nfs/dbraw/zinc/86/69/14/1072866914.db2.gz JYOFLZLSAHBBGN-HHHXNRCGSA-N -1 0 544.589 5.744 50 30 KKEARM O=C(NCc1ccccc1)c1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1 ZINC000254766742 1072878553 /nfs/dbraw/zinc/87/85/53/1072878553.db2.gz QLWWPBVQSFRLCF-UHFFFAOYSA-N -1 0 556.651 5.959 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc3ccccc3c2O)c(C)c1 ZINC000254820978 1072881285 /nfs/dbraw/zinc/88/12/85/1072881285.db2.gz OJJDTBZPAMUGCV-UHFFFAOYSA-N -1 0 504.568 5.707 50 30 KKEARM CC(C)(C)[N-]C(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576251 1072901458 /nfs/dbraw/zinc/90/14/58/1072901458.db2.gz LPRQMJOAXBSUJI-XPUUQOCRSA-N -1 0 551.193 5.774 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533462 195477694 /nfs/dbraw/zinc/47/76/94/195477694.db2.gz LDEPIPTXRUTPCM-DDHAMGGJSA-N -1 0 559.707 5.142 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CON=C3C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]34)c2c1 ZINC000253533603 195477962 /nfs/dbraw/zinc/47/79/62/195477962.db2.gz OAYWHZMJOWQING-GUGRDGAFSA-N -1 0 589.733 5.396 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(OC)cc2)nc1C ZINC000000631113 551505103 /nfs/dbraw/zinc/50/51/03/551505103.db2.gz FNQCZVSDSCBUES-JOCHJYFZSA-N -1 0 536.606 5.127 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000000635417 551506074 /nfs/dbraw/zinc/50/60/74/551506074.db2.gz VCTUIZWVNCAULB-HXUWFJFHSA-N -1 0 526.998 5.382 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651975 551512977 /nfs/dbraw/zinc/51/29/77/551512977.db2.gz BFLIMQRXKTXFPU-DFXYEROKSA-N -1 0 525.561 5.669 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2Br)cc1 ZINC000000661598 551516169 /nfs/dbraw/zinc/51/61/69/551516169.db2.gz IGKDGJGGAWEDFG-UHFFFAOYSA-N -1 0 523.379 5.854 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000000663537 551516531 /nfs/dbraw/zinc/51/65/31/551516531.db2.gz CIUWNHUFPRYVHS-UHFFFAOYSA-N -1 0 529.633 5.946 50 30 KKEARM COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000000718046 551534957 /nfs/dbraw/zinc/53/49/57/551534957.db2.gz MJPCQJZPUVXXEX-WENCNXQZSA-N -1 0 514.553 5.600 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000000718140 551534996 /nfs/dbraw/zinc/53/49/96/551534996.db2.gz SWQHCHPDOJCYLR-GHRAFVERSA-N -1 0 540.635 6.889 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719691 551536060 /nfs/dbraw/zinc/53/60/60/551536060.db2.gz QOIZUQJWQPVTTG-KEEVHDRGSA-N -1 0 514.553 5.600 50 30 KKEARM N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccccc3)cc2)c1OCC(F)(F)F ZINC000001040842 551598800 /nfs/dbraw/zinc/59/88/00/551598800.db2.gz WQZMBXATLXNYFR-UHFFFAOYSA-N -1 0 594.511 5.074 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000001055476 551600049 /nfs/dbraw/zinc/60/00/49/551600049.db2.gz UZUHWNUJOCJPJO-LJQANCHMSA-N -1 0 514.719 5.189 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243208 551631248 /nfs/dbraw/zinc/63/12/48/551631248.db2.gz QTLMVTVGDJFWIA-VKGTZQKMSA-N -1 0 530.602 5.300 50 30 KKEARM CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001269759 551634370 /nfs/dbraw/zinc/63/43/70/551634370.db2.gz HCSWQYGOKBPNSF-FLASPHMUSA-N -1 0 555.650 6.437 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccncc3)C2)cc1 ZINC000001268783 551634383 /nfs/dbraw/zinc/63/43/83/551634383.db2.gz ONZSTRMVESGJJF-UGDMGKLASA-N -1 0 523.633 6.145 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001446501 551674169 /nfs/dbraw/zinc/67/41/69/551674169.db2.gz AQQWBWMXKIPTTH-XMMPIXPASA-N -1 0 540.597 6.203 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446917 551674328 /nfs/dbraw/zinc/67/43/28/551674328.db2.gz BVFFHAARAWYPLJ-JOCHJYFZSA-N -1 0 538.528 5.383 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccccc2Cl)cc1 ZINC000001456618 551676741 /nfs/dbraw/zinc/67/67/41/551676741.db2.gz CSVQAFGOAYSLOG-ADSBAMQRSA-N -1 0 531.008 6.114 50 30 KKEARM COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000001457511 551677033 /nfs/dbraw/zinc/67/70/33/551677033.db2.gz JPVCAUACVPTXQB-PRAQEBQASA-N -1 0 531.008 6.114 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000001457512 551677039 /nfs/dbraw/zinc/67/70/39/551677039.db2.gz JPVCAUACVPTXQB-WRGVRERRSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457574 551677296 /nfs/dbraw/zinc/67/72/96/551677296.db2.gz AWUVMGNLLWGWBU-WKRVVKTRSA-N -1 0 510.590 5.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001474133 551680686 /nfs/dbraw/zinc/68/06/86/551680686.db2.gz MRRGQTIXIJSYGY-JOCHJYFZSA-N -1 0 530.558 5.796 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Br)cc2)o1 ZINC000001479965 551681482 /nfs/dbraw/zinc/68/14/82/551681482.db2.gz NOHBGVSDNYXYFL-NRFANRHFSA-N -1 0 523.408 6.360 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480873 551682271 /nfs/dbraw/zinc/68/22/71/551682271.db2.gz QGSXRWRUSZLVIM-XMMPIXPASA-N -1 0 564.591 5.643 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001481478 551682700 /nfs/dbraw/zinc/68/27/00/551682700.db2.gz XJCKOWHHAKMGTF-HSZRJFAPSA-N -1 0 550.564 5.253 50 30 KKEARM CCOc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000001885025 551725271 /nfs/dbraw/zinc/72/52/71/551725271.db2.gz QDAYYTQMTDFZOG-BRJLIKDPSA-N -1 0 516.189 6.875 50 30 KKEARM CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3)nc2c1 ZINC000001921050 551734568 /nfs/dbraw/zinc/73/45/68/551734568.db2.gz KTOUESKUZITOFM-UVHMKAGCSA-N -1 0 528.244 7.774 50 30 KKEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1[O-] ZINC000002071556 551747357 /nfs/dbraw/zinc/74/73/57/551747357.db2.gz KFXPFSVXUCWTDI-YSURURNPSA-N -1 0 549.708 6.126 50 30 KKEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000002080552 551751288 /nfs/dbraw/zinc/75/12/88/551751288.db2.gz AZCKAXLTSWFKAM-UUYOSTAYSA-N -1 0 571.457 6.280 50 30 KKEARM CCc1ccc(/N=C2\S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081657 551751727 /nfs/dbraw/zinc/75/17/27/551751727.db2.gz PCTXDOBXJUSXOV-GWISFZTMSA-N -1 0 552.450 6.996 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4[O-])ccc3o2)cc1 ZINC000002166248 551781778 /nfs/dbraw/zinc/78/17/78/551781778.db2.gz RYWIYRZJIUSPBJ-BHGWPJFGSA-N -1 0 533.163 6.627 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000002173460 551782527 /nfs/dbraw/zinc/78/25/27/551782527.db2.gz GMPDSISELJCTOI-UDWIEESQSA-N -1 0 521.067 6.231 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1C ZINC000002225453 551796853 /nfs/dbraw/zinc/79/68/53/551796853.db2.gz IAUYOCLRNFYWTC-OPEKNORGSA-N -1 0 500.190 7.093 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000002255482 552083567 /nfs/dbraw/zinc/08/35/67/552083567.db2.gz NPHVEVGEIMGNJA-MZJWZYIUSA-N -1 0 521.212 7.136 50 30 KKEARM Cc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)Oc4ccc(C)cc4)ccc2-3)cc1 ZINC000002292579 552088899 /nfs/dbraw/zinc/08/88/99/552088899.db2.gz RLCCIAITBHWLJZ-UHFFFAOYSA-N -1 0 535.599 5.046 50 30 KKEARM COc1ccccc1-n1c([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C#N)c2nc3ccccc3nc21 ZINC000002376168 552106705 /nfs/dbraw/zinc/10/67/05/552106705.db2.gz KVDIZVRHCHOXJU-UHFFFAOYSA-N -1 0 505.559 5.408 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000003087010 552286346 /nfs/dbraw/zinc/28/63/46/552286346.db2.gz ATCIJVGGOYEDCI-YSURURNPSA-N -1 0 598.032 7.081 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)Nc1ccccc1 ZINC000003094789 552287231 /nfs/dbraw/zinc/28/72/31/552287231.db2.gz JBAGJCULFTVBTB-OPEKNORGSA-N -1 0 577.323 7.008 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)c1 ZINC000003094782 552287275 /nfs/dbraw/zinc/28/72/75/552287275.db2.gz GMMKOJSFULLRFS-FOKLQQMPSA-N -1 0 500.399 6.716 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 ZINC000003113135 552289890 /nfs/dbraw/zinc/28/98/90/552289890.db2.gz HGTPWOLTMAARHE-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c([O-])c1Br ZINC000003114202 552290018 /nfs/dbraw/zinc/29/00/18/552290018.db2.gz SWSYSMQKVMXMQX-OXUBWTJQSA-N -1 0 524.629 8.291 50 30 KKEARM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000003292849 552341240 /nfs/dbraw/zinc/34/12/40/552341240.db2.gz XRYGBOSBXOJSRT-UHFFFAOYSA-N -1 0 561.041 5.512 50 30 KKEARM CC1(C)CC2=C(C(=O)C1)[C@@]([N-]c1nc3ccccc3s1)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000003626851 552395805 /nfs/dbraw/zinc/39/58/05/552395805.db2.gz IKIDTPOWUIGNMW-QHCPKHFHSA-N -1 0 539.501 6.718 50 30 KKEARM Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1 ZINC000003663359 552407855 /nfs/dbraw/zinc/40/78/55/552407855.db2.gz OTMOQTYFQSJNIP-LUOAPIJWSA-N -1 0 516.475 7.407 50 30 KKEARM N#Cc1c(/N=C/c2c(Br)cc(Br)c([O-])c2Br)sc2c1CCCC2 ZINC000003667227 552409529 /nfs/dbraw/zinc/40/95/29/552409529.db2.gz JWZYKCMQUMZIHW-QPSGOUHRSA-N -1 0 519.056 6.242 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000005355454 552498511 /nfs/dbraw/zinc/49/85/11/552498511.db2.gz JHHZYJKSPBOEJS-QFIPXVFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000005355446 552498629 /nfs/dbraw/zinc/49/86/29/552498629.db2.gz JHHZYJKSPBOEJS-JOCHJYFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000005355414 552498684 /nfs/dbraw/zinc/49/86/84/552498684.db2.gz ZTTPAHRKSMIUSE-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355221 552498694 /nfs/dbraw/zinc/49/86/94/552498694.db2.gz HJEJVGHMGKXDLQ-DEOSSOPVSA-N -1 0 562.644 5.683 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000005355502 552499054 /nfs/dbraw/zinc/49/90/54/552499054.db2.gz YDFCSPCIQSDDRM-GOSISDBHSA-N -1 0 572.393 5.082 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005402256 552501417 /nfs/dbraw/zinc/50/14/17/552501417.db2.gz YQOVPJKTNVAUMQ-SANMLTNESA-N -1 0 603.678 6.099 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000005919100 552512248 /nfs/dbraw/zinc/51/22/48/552512248.db2.gz NZALVCDJDBPPDU-QHCPKHFHSA-N -1 0 550.608 5.814 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000005919113 552512386 /nfs/dbraw/zinc/51/23/86/552512386.db2.gz MAFHSWYDPNZOLU-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000005919188 552512458 /nfs/dbraw/zinc/51/24/58/552512458.db2.gz IXMZWLOGYMLAOV-DEOSSOPVSA-N -1 0 564.660 5.907 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000005919051 552512468 /nfs/dbraw/zinc/51/24/68/552512468.db2.gz MAFHSWYDPNZOLU-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000005919069 552512497 /nfs/dbraw/zinc/51/24/97/552512497.db2.gz CTMHWFFDWNKRTQ-QHCPKHFHSA-N -1 0 566.632 5.223 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000005919780 552512655 /nfs/dbraw/zinc/51/26/55/552512655.db2.gz HFLIPYLIUGBBTK-QFIPXVFZSA-N -1 0 536.581 5.423 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccs2)C1=C([O-])c1ccc(Cl)cc1 ZINC000006017176 552519864 /nfs/dbraw/zinc/51/98/64/552519864.db2.gz QBMNYVTUWLMCMH-FQEVSTJZSA-N -1 0 588.044 5.382 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006023607 552520176 /nfs/dbraw/zinc/52/01/76/552520176.db2.gz FNULANMWENYDFI-QHCPKHFHSA-N -1 0 596.042 5.629 50 30 KKEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 ZINC000006146746 552548663 /nfs/dbraw/zinc/54/86/63/552548663.db2.gz IVSCBHKFXLWONR-UHFFFAOYSA-N -1 0 539.440 6.970 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000006458590 552590009 /nfs/dbraw/zinc/59/00/09/552590009.db2.gz KAZBTSVKDNAJST-HSZRJFAPSA-N -1 0 533.631 5.669 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000006473781 552592010 /nfs/dbraw/zinc/59/20/10/552592010.db2.gz GUHAHPLRZBASQI-ZMOGYAJESA-N -1 0 521.335 5.181 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000006475032 552593296 /nfs/dbraw/zinc/59/32/96/552593296.db2.gz FOKFABPMITUVQY-OQRWROFFSA-N -1 0 519.485 5.092 50 30 KKEARM CN(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383436 552986731 /nfs/dbraw/zinc/98/67/31/552986731.db2.gz DFLWDGWAFPUJKO-VWLOTQADSA-N -1 0 603.125 7.079 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383454 552986804 /nfs/dbraw/zinc/98/68/04/552986804.db2.gz AVCHRQOFWPXPMT-QHCPKHFHSA-N -1 0 561.591 6.638 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383472 552986887 /nfs/dbraw/zinc/98/68/87/552986887.db2.gz XLJWUSNPSKSDKO-VWLOTQADSA-N -1 0 571.655 7.061 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Br)cc3)s2)cc1 ZINC000008383960 552988328 /nfs/dbraw/zinc/98/83/28/552988328.db2.gz REWCLZOZWZKHBC-DEOSSOPVSA-N -1 0 618.534 7.430 50 30 KKEARM COc1cc(OC)c(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000008384057 552988660 /nfs/dbraw/zinc/98/86/60/552988660.db2.gz RMTWIOHNZPXRDG-QDJMWYJCSA-N -1 0 553.434 5.969 50 30 KKEARM CCCCCCCCCCCCCCCCN(C(=O)CCCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008385893 552991374 /nfs/dbraw/zinc/99/13/74/552991374.db2.gz KSCMEMSWGXJVBV-UHFFFAOYSA-N -1 0 504.668 7.300 50 30 KKEARM CSc1nc2ccc(NC(=O)CSc3nc4ccc(/N=C/c5cc(I)cc(I)c5[O-])cc4s3)cc2s1 ZINC000008406901 553007414 /nfs/dbraw/zinc/00/74/14/553007414.db2.gz YCZBSPIVAHARQM-YPXUMCKCSA-N -1 0 774.494 8.024 50 30 KKEARM COc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2C#N)c1OC ZINC000008416906 553012495 /nfs/dbraw/zinc/01/24/95/553012495.db2.gz OSXSAGLDNAUEBO-UHFFFAOYSA-N -1 0 643.772 6.293 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\c3cc([N+](=O)[O-])cc(C(=O)[O-])c3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 ZINC000008425344 553015151 /nfs/dbraw/zinc/01/51/51/553015151.db2.gz WIBUZUARLRUNBG-LPYMAVHISA-N -1 0 561.547 7.418 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)NC2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000008437740 553031988 /nfs/dbraw/zinc/03/19/88/553031988.db2.gz ZPRVJCIUCLHRMM-CFRMEGHHSA-N -1 0 610.486 5.764 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000008437941 553032443 /nfs/dbraw/zinc/03/24/43/553032443.db2.gz WBAPBFSQOKCHKD-UHFFFAOYSA-N -1 0 605.312 6.833 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCc2ccccc2)C2=C1CCCC2=O ZINC000008437937 553032456 /nfs/dbraw/zinc/03/24/56/553032456.db2.gz KCDPKGSDTDVLDJ-UHFFFAOYSA-N -1 0 536.422 5.526 50 30 KKEARM COc1cc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000008438250 553033525 /nfs/dbraw/zinc/03/35/25/553033525.db2.gz OSNFHLNSUXYCMP-GXQADQIFSA-N -1 0 548.705 6.910 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1O ZINC000008441230 553040093 /nfs/dbraw/zinc/04/00/93/553040093.db2.gz CEWZOBCUOPCKPA-VWLOTQADSA-N -1 0 585.663 6.464 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000008441735 553041808 /nfs/dbraw/zinc/04/18/08/553041808.db2.gz LZVLVVIRWWPNTE-YTTGMZPUSA-N -1 0 632.694 7.812 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008441737 553041851 /nfs/dbraw/zinc/04/18/51/553041851.db2.gz TWXFSCSZNSIEOF-XMMPIXPASA-N -1 0 530.989 6.878 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)o1 ZINC000008441806 553042390 /nfs/dbraw/zinc/04/23/90/553042390.db2.gz VJXQFUYZZURFSZ-SANMLTNESA-N -1 0 579.659 7.414 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000008468510 553075727 /nfs/dbraw/zinc/07/57/27/553075727.db2.gz FZVWIXXDDKNVIQ-KRWDZBQOSA-N -1 0 547.814 5.437 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000008837115 553163744 /nfs/dbraw/zinc/16/37/44/553163744.db2.gz BXUQAMPLIZSQJO-JOCHJYFZSA-N -1 0 508.502 5.375 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000008845610 553165831 /nfs/dbraw/zinc/16/58/31/553165831.db2.gz SKHBSODXKMLHIP-XMMPIXPASA-N -1 0 515.566 5.656 50 30 KKEARM COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c(/N=C/c3cc(Br)cc(Br)c3[O-])n2)cc1 ZINC000008856879 553167811 /nfs/dbraw/zinc/16/78/11/553167811.db2.gz YBCIMFGXJYAZTM-UYKANAEJSA-N -1 0 623.132 7.729 50 30 KKEARM Cc1cc(Br)c(Nc2nc(=NN=Cc3cc(Cl)cc(Cl)c3[O-])nc(N3CCOCC3)[nH]2)cc1Cl ZINC000008872126 553172226 /nfs/dbraw/zinc/17/22/26/553172226.db2.gz QUEITZIWSWIXDX-KALUYTGESA-N -1 0 587.693 5.635 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008893218 553177140 /nfs/dbraw/zinc/17/71/40/553177140.db2.gz OZZDPERDLHETCN-OAQYLSRUSA-N -1 0 522.554 5.115 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008905353 553183740 /nfs/dbraw/zinc/18/37/40/553183740.db2.gz NZUKHQCCNZTPTE-SFHVURJKSA-N -1 0 500.935 5.204 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000008952317 553193965 /nfs/dbraw/zinc/19/39/65/553193965.db2.gz FTQDJVZNPJRVPG-WQRBTODZSA-N -1 0 512.731 6.983 50 30 biogenic KKEARM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000008952314 553194001 /nfs/dbraw/zinc/19/40/01/553194001.db2.gz FTQDJVZNPJRVPG-CHFLLPPRSA-N -1 0 512.731 6.983 50 30 biogenic KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008973332 553195288 /nfs/dbraw/zinc/19/52/88/553195288.db2.gz QBVMUDCMHRBHSR-QFIPXVFZSA-N -1 0 517.519 5.005 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008973330 553195300 /nfs/dbraw/zinc/19/53/00/553195300.db2.gz QBVMUDCMHRBHSR-JOCHJYFZSA-N -1 0 517.519 5.005 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973859 553195506 /nfs/dbraw/zinc/19/55/06/553195506.db2.gz NHIZNYAIWCGHPF-QFIPXVFZSA-N -1 0 501.520 5.386 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccccc1 ZINC000008973716 553195561 /nfs/dbraw/zinc/19/55/61/553195561.db2.gz FBOLFPADUFCVEP-FQEVSTJZSA-N -1 0 509.356 5.981 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000008981345 553196054 /nfs/dbraw/zinc/19/60/54/553196054.db2.gz JJSYZBTZHYGDLE-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008996644 553197454 /nfs/dbraw/zinc/19/74/54/553197454.db2.gz UVKBCMFSKSCPOC-JOCHJYFZSA-N -1 0 502.548 5.330 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009007642 553198086 /nfs/dbraw/zinc/19/80/86/553198086.db2.gz GNUHQRMFHBFHJO-OAQYLSRUSA-N -1 0 505.508 5.288 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009043115 553202888 /nfs/dbraw/zinc/20/28/88/553202888.db2.gz ODGQKVIPKJACDS-JOCHJYFZSA-N -1 0 506.967 5.750 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009067679 553206378 /nfs/dbraw/zinc/20/63/78/553206378.db2.gz BZXRXDJOXUYCER-JOCHJYFZSA-N -1 0 506.605 5.938 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC ZINC000009069822 553206879 /nfs/dbraw/zinc/20/68/79/553206879.db2.gz KZCOOLLEJXOUQU-HXUWFJFHSA-N -1 0 514.987 5.222 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000009073066 553207066 /nfs/dbraw/zinc/20/70/66/553207066.db2.gz YDJASJWQYNHFKJ-QFIPXVFZSA-N -1 0 506.967 5.750 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009177171 553216338 /nfs/dbraw/zinc/21/63/38/553216338.db2.gz FSQVDLNSOVYWPR-QFIPXVFZSA-N -1 0 508.502 5.375 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000009244256 553227078 /nfs/dbraw/zinc/22/70/78/553227078.db2.gz HUJMGIXGKXFMLH-HXUWFJFHSA-N -1 0 508.596 5.610 50 30 KKEARM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000009259027 553227840 /nfs/dbraw/zinc/22/78/40/553227840.db2.gz CLNSZUWUHUBTOC-DHRITJCHSA-N -1 0 514.332 5.479 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009271474 553231040 /nfs/dbraw/zinc/23/10/40/553231040.db2.gz PIUGQNPRTSIZPS-LJQANCHMSA-N -1 0 511.422 6.212 50 30 KKEARM COc1cccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)c1 ZINC000009310805 553239079 /nfs/dbraw/zinc/23/90/79/553239079.db2.gz SAVRJAXDQDNWBI-WRGVRERRSA-N -1 0 514.553 5.600 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009329430 553242432 /nfs/dbraw/zinc/24/24/32/553242432.db2.gz PRLIEDLPRWOWBR-XUSGNXJCSA-N -1 0 508.983 5.414 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009357943 553247208 /nfs/dbraw/zinc/24/72/08/553247208.db2.gz IWUWXJDJEHBDJR-NPMABZOXSA-N -1 0 504.514 5.681 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009373728 553250517 /nfs/dbraw/zinc/25/05/17/553250517.db2.gz DBTLCABPVWVVCQ-JBEBIEQOSA-N -1 0 516.550 5.550 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009379987 553251579 /nfs/dbraw/zinc/25/15/79/553251579.db2.gz PGBGBHSTMPPZIH-OLILMLBXSA-N -1 0 500.982 6.105 50 30 KKEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000009424747 553258863 /nfs/dbraw/zinc/25/88/63/553258863.db2.gz QCLIZSXSADCQLC-VWLOTQADSA-N -1 0 500.938 5.998 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)cc2)c1 ZINC000009461021 553267126 /nfs/dbraw/zinc/26/71/26/553267126.db2.gz UYOHKQUBWDAGAG-DEOSSOPVSA-N -1 0 500.551 5.953 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009462830 553268468 /nfs/dbraw/zinc/26/84/68/553268468.db2.gz RDWMCVFEKJBWMM-DEOSSOPVSA-N -1 0 517.006 6.467 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009482611 553272658 /nfs/dbraw/zinc/27/26/58/553272658.db2.gz VYDPQLBRJPHVJV-JCOAXYOVSA-N -1 0 528.580 5.908 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000009994094 553324753 /nfs/dbraw/zinc/32/47/53/553324753.db2.gz UGEDZZPHQOPNKL-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000012349722 553359090 /nfs/dbraw/zinc/35/90/90/553359090.db2.gz OZZHVUMZXOICRI-UZTOHYMASA-N -1 0 511.603 5.664 50 30 KKEARM [O-]c1c(I)cc(Cl)cc1/C=N\c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000012374757 553360968 /nfs/dbraw/zinc/36/09/68/553360968.db2.gz VQMNSWSWBSTWRW-VROXFSQNSA-N -1 0 509.130 6.862 50 30 KKEARM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)c1 ZINC000012579870 553398888 /nfs/dbraw/zinc/39/88/88/553398888.db2.gz XOFACLCJHFUIDE-UHFFFAOYSA-N -1 0 528.074 6.629 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000013471524 553459726 /nfs/dbraw/zinc/45/97/26/553459726.db2.gz SDOPGOMGIHUEME-HHHXNRCGSA-N -1 0 509.528 5.273 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000013552629 553470826 /nfs/dbraw/zinc/47/08/26/553470826.db2.gz LVUNRMFUSKXNKD-IBGZPJMESA-N -1 0 503.736 5.190 50 30 KKEARM COc1ccc(N=C(C)c2c(CSc3ccc(Cl)cc3)[n-]n(-c3nc4ccccc4s3)c2=O)cc1 ZINC000013756719 553488270 /nfs/dbraw/zinc/48/82/70/553488270.db2.gz OVBNZDXAUYOPGE-LQKURTRISA-N -1 0 521.067 7.283 50 30 KKEARM COc1cc(Cl)c(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000013881649 553494195 /nfs/dbraw/zinc/49/41/95/553494195.db2.gz HJOUILIFUHFNSR-AGMGEZRGSA-N -1 0 508.983 5.860 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016730266 553576491 /nfs/dbraw/zinc/57/64/91/553576491.db2.gz BMQCETMJVAMGAN-OAQYLSRUSA-N -1 0 524.570 5.339 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000016730400 553576545 /nfs/dbraw/zinc/57/65/45/553576545.db2.gz BLQRDTNGJOYDJA-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccs2)C1=C([O-])c1ccc(F)cc1 ZINC000016742630 553580676 /nfs/dbraw/zinc/58/06/76/553580676.db2.gz SREWBZMDRLECBN-IBGZPJMESA-N -1 0 509.609 5.814 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000016805343 553582847 /nfs/dbraw/zinc/58/28/47/553582847.db2.gz FNUMHQAYRFWMKB-OAQYLSRUSA-N -1 0 524.570 5.339 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070692099 553609633 /nfs/dbraw/zinc/60/96/33/553609633.db2.gz IJEVCNPWWCDYER-VMTVYFIJSA-N -1 0 632.882 9.131 50 30 biogenic KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198755 553609727 /nfs/dbraw/zinc/60/97/27/553609727.db2.gz QGETYLJENXUMQL-RBTNQOKQSA-N -1 0 523.658 7.022 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070698591 553614758 /nfs/dbraw/zinc/61/47/58/553614758.db2.gz BVRXYKXINDXTNL-QSURVTBUSA-N -1 0 564.723 5.017 50 30 biogenic KKEARM Cc1ccc(COc2ccc(Cl)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000019890704 553629794 /nfs/dbraw/zinc/62/97/94/553629794.db2.gz UTWOBGWRXQIIHT-UHFFFAOYSA-N -1 0 505.998 5.725 50 30 KKEARM CC1(C)CC2=C(C(=O)C1)[C@@]([N-]c1nc3ccccc3s1)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000020069642 553675632 /nfs/dbraw/zinc/67/56/32/553675632.db2.gz MVGGDSXGAKIGJU-QHCPKHFHSA-N -1 0 505.949 6.353 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1 ZINC000095100612 553698967 /nfs/dbraw/zinc/69/89/67/553698967.db2.gz HFSFJFHWRIGOBK-HOCLYGCPSA-N -1 0 756.391 6.705 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1 ZINC000095100613 553699205 /nfs/dbraw/zinc/69/92/05/553699205.db2.gz HFSFJFHWRIGOBK-ZBFHGGJFSA-N -1 0 756.391 6.705 50 30 KKEARM O=C([O-])C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095697014 553708435 /nfs/dbraw/zinc/70/84/35/553708435.db2.gz GDQLSTSWOFAQNO-UHFFFAOYSA-N -1 0 562.075 5.511 50 30 KKEARM O=S(=O)([N-]c1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000095704578 553709198 /nfs/dbraw/zinc/70/91/98/553709198.db2.gz SVTMAOZBRNGUGB-UHFFFAOYSA-N -1 0 595.518 6.423 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939621 553759976 /nfs/dbraw/zinc/75/99/76/553759976.db2.gz BPUAFEQTSKMMFP-WINIVTDRSA-N -1 0 560.628 5.866 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939619 553759992 /nfs/dbraw/zinc/75/99/92/553759992.db2.gz BPUAFEQTSKMMFP-PPHZAIPVSA-N -1 0 560.628 5.866 50 30 KKEARM CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000097939677 553760233 /nfs/dbraw/zinc/76/02/33/553760233.db2.gz XKQRPVFREGTMQU-NPMXOYFQSA-N -1 0 544.651 5.028 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939695 553760446 /nfs/dbraw/zinc/76/04/46/553760446.db2.gz RCAKPRFFNSDLFX-PPHZAIPVSA-N -1 0 560.628 5.518 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939697 553760501 /nfs/dbraw/zinc/76/05/01/553760501.db2.gz RCAKPRFFNSDLFX-WINIVTDRSA-N -1 0 560.628 5.518 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3c(OCc4ccc(F)cc4)ccc4ccccc43)S/C2=N\c2ccccc2)cc1 ZINC000097944430 553769633 /nfs/dbraw/zinc/76/96/33/553769633.db2.gz RVBQJAFCJBGSQS-AJZCEHBXSA-N -1 0 588.660 8.060 50 30 KKEARM C=CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000024193212 553790571 /nfs/dbraw/zinc/79/05/71/553790571.db2.gz MYHJSLZWGWQDEQ-DEOSSOPVSA-N -1 0 510.011 5.853 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948664 553795795 /nfs/dbraw/zinc/79/57/95/553795795.db2.gz FWLTYWSPPBMUBK-CGKQSPDFSA-N -1 0 591.535 8.056 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000097951354 553808521 /nfs/dbraw/zinc/80/85/21/553808521.db2.gz HIFAGJKPOIQFBI-UHFFFAOYSA-N -1 0 532.600 10.142 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952535 553816351 /nfs/dbraw/zinc/81/63/51/553816351.db2.gz BOYMKYVYCJJHEU-QHCPKHFHSA-N -1 0 531.546 5.313 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000097954885 553826453 /nfs/dbraw/zinc/82/64/53/553826453.db2.gz KRMLLZMMJPSHEG-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097955130 553829023 /nfs/dbraw/zinc/82/90/23/553829023.db2.gz NXHNEFXYFUOWAB-NRFANRHFSA-N -1 0 543.370 5.031 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000097955187 553829496 /nfs/dbraw/zinc/82/94/96/553829496.db2.gz BLHXTJOJBYSLCF-HWRSSNJWSA-N -1 0 576.602 5.568 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955619 553832041 /nfs/dbraw/zinc/83/20/41/553832041.db2.gz WMGDDBWGNABGNP-SGANQWHYSA-N -1 0 547.032 6.455 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955642 553832470 /nfs/dbraw/zinc/83/24/70/553832470.db2.gz XLCWGWZAAIEWAZ-LFPIHBKWSA-N -1 0 533.005 6.065 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097955665 553832564 /nfs/dbraw/zinc/83/25/64/553832564.db2.gz GTHHQEKXVKCVHZ-MUUNZHRXSA-N -1 0 621.111 6.937 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097955724 553833196 /nfs/dbraw/zinc/83/31/96/553833196.db2.gz PNNHZIQHDRPYHG-JCQPUDPBSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955744 553833557 /nfs/dbraw/zinc/83/35/57/553833557.db2.gz UVVKOCZHHIHNEV-NPMABZOXSA-N -1 0 520.969 6.195 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@H]2c2ccccc2F)nc1C ZINC000097956875 553842919 /nfs/dbraw/zinc/84/29/19/553842919.db2.gz XXRRWHOGRMJNRN-HSZRJFAPSA-N -1 0 548.592 5.590 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956889 553842989 /nfs/dbraw/zinc/84/29/89/553842989.db2.gz GWDNUFPNEWQWOF-XMMPIXPASA-N -1 0 578.643 5.302 50 30 KKEARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097957764 553848192 /nfs/dbraw/zinc/84/81/92/553848192.db2.gz SAZJHINSIPUKNU-XKZIYDEJSA-N -1 0 546.377 5.805 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000029747938 553849115 /nfs/dbraw/zinc/84/91/15/553849115.db2.gz IFVRPRCKRJDAKN-WENCNXQZSA-N -1 0 599.640 5.635 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(O)c(I)c3)S/C2=N/c2ccccc2)cc1 ZINC000097960159 553868625 /nfs/dbraw/zinc/86/86/25/553868625.db2.gz PFFWCQPOOTXNED-GAGNVJRZSA-N -1 0 556.381 5.499 50 30 KKEARM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000097960147 553868630 /nfs/dbraw/zinc/86/86/30/553868630.db2.gz JLTJOIUHMCPCTK-GXQADQIFSA-N -1 0 536.609 6.781 50 30 KKEARM Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OCC(=O)[O-])c(Br)c2)CCCC3)cc1 ZINC000097960856 553873707 /nfs/dbraw/zinc/87/37/07/553873707.db2.gz YPUICJWSTACSCW-UVHMKAGCSA-N -1 0 527.440 6.164 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1COc1ccc(Cl)cc1 ZINC000097962638 553884624 /nfs/dbraw/zinc/88/46/24/553884624.db2.gz PBGSOUWUNOSVIU-OEAKJJBVSA-N -1 0 581.850 6.925 50 30 KKEARM O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1)c1cc2ccccc2o1 ZINC000097966011 553906436 /nfs/dbraw/zinc/90/64/36/553906436.db2.gz XQOPHCQKAIZXTB-BRJLIKDPSA-N -1 0 514.173 6.666 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097966146 553907373 /nfs/dbraw/zinc/90/73/73/553907373.db2.gz HTKSCHSSCCILTG-TTWZNGTNSA-N -1 0 574.005 5.756 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000097966147 553907375 /nfs/dbraw/zinc/90/73/75/553907375.db2.gz HTKSCHSSCCILTG-AUEMQQPVSA-N -1 0 574.005 5.756 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097967035 553913065 /nfs/dbraw/zinc/91/30/65/553913065.db2.gz GOQSNHKMHPACTG-MHZLTWQESA-N -1 0 614.676 5.926 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097967160 553914474 /nfs/dbraw/zinc/91/44/74/553914474.db2.gz UCENGCFIEIWUDP-HHHXNRCGSA-N -1 0 614.676 6.013 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967256 553915796 /nfs/dbraw/zinc/91/57/96/553915796.db2.gz NVOBFLMRNJRDTH-MHZLTWQESA-N -1 0 614.676 6.013 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967301 553916768 /nfs/dbraw/zinc/91/67/68/553916768.db2.gz PATINVOWOKZNQQ-XBBWARJSSA-N -1 0 678.232 7.778 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967328 553916791 /nfs/dbraw/zinc/91/67/91/553916791.db2.gz TXDTVXIBWAPKEC-OYLFLEFRSA-N -1 0 577.634 6.215 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967337 553917201 /nfs/dbraw/zinc/91/72/01/553917201.db2.gz QVKCLDMCJOJDRQ-DHYKOVJISA-N -1 0 726.276 8.568 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967362 553917573 /nfs/dbraw/zinc/91/75/73/553917573.db2.gz RXSXRMPGJGOMKV-KWMCUTETSA-N -1 0 664.205 7.388 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967361 553917725 /nfs/dbraw/zinc/91/77/25/553917725.db2.gz RXSXRMPGJGOMKV-JMQGSBJISA-N -1 0 664.205 7.388 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967436 553918548 /nfs/dbraw/zinc/91/85/48/553918548.db2.gz MZRQUZTYOOVBHV-PWECECGKSA-N -1 0 637.508 6.278 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967446 553918604 /nfs/dbraw/zinc/91/86/04/553918604.db2.gz GAAUQLCHNSTAKL-SSOJOUAXSA-N -1 0 599.690 5.723 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967499 553919454 /nfs/dbraw/zinc/91/94/54/553919454.db2.gz AHTBQTNYGQAKDN-YKGWIAGDSA-N -1 0 641.815 7.670 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097967558 553920152 /nfs/dbraw/zinc/92/01/52/553920152.db2.gz OTNJAPKMFWJVKA-IZHWHUGBSA-N -1 0 610.544 7.244 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967600 553920515 /nfs/dbraw/zinc/92/05/15/553920515.db2.gz UBDJPFNAJVDIDI-OLILMLBXSA-N -1 0 662.233 8.015 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967592 553920578 /nfs/dbraw/zinc/92/05/78/553920578.db2.gz RPALZPCDFUSIQJ-SFDCACGMSA-N -1 0 571.869 7.363 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097967689 553921813 /nfs/dbraw/zinc/92/18/13/553921813.db2.gz DHPUARWSFKWTAH-RSUXDYMJSA-N -1 0 741.891 9.068 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967753 553922806 /nfs/dbraw/zinc/92/28/06/553922806.db2.gz SLHVHCHXIFFGPA-MMTVBGGISA-N -1 0 611.745 6.810 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967829 553923961 /nfs/dbraw/zinc/92/39/61/553923961.db2.gz IDQIMHRJIATBES-OYLFLEFRSA-N -1 0 577.634 6.215 50 30 KKEARM C[C@H]1CCC[C@H](C)N1c1nc(N=NCc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)n1 ZINC000033353338 553924393 /nfs/dbraw/zinc/92/43/93/553924393.db2.gz WKCAIEXFIOELPP-FNIJFNAWSA-N -1 0 538.612 6.169 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967922 553925264 /nfs/dbraw/zinc/92/52/64/553925264.db2.gz DABRFPDAMTVZST-MHZLTWQESA-N -1 0 606.697 6.176 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967938 553925310 /nfs/dbraw/zinc/92/53/10/553925310.db2.gz AOBHFDSGMBLJGL-MUUNZHRXSA-N -1 0 647.750 6.949 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967990 553926082 /nfs/dbraw/zinc/92/60/82/553926082.db2.gz YFIHGCMNHFEBSH-HHHXNRCGSA-N -1 0 585.638 5.378 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968009 553926094 /nfs/dbraw/zinc/92/60/94/553926094.db2.gz GHMSCXKQVUHYJF-MUUNZHRXSA-N -1 0 678.188 7.001 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967996 553926256 /nfs/dbraw/zinc/92/62/56/553926256.db2.gz QLPDDCKTSIZZEL-WJOKGBTCSA-N -1 0 663.777 7.272 50 30 KKEARM O=[N+]([O-])c1ccccc1[N-]c1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000033353665 553926504 /nfs/dbraw/zinc/92/65/04/553926504.db2.gz XKUDWCLHZGFSNR-UHFFFAOYSA-N -1 0 549.228 5.267 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968041 553926586 /nfs/dbraw/zinc/92/65/86/553926586.db2.gz AKYFCUBNBJYFRR-LJAQVGFWSA-N -1 0 657.770 6.656 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968026 553926591 /nfs/dbraw/zinc/92/65/91/553926591.db2.gz IOYMXDUSHLXLET-QHCPKHFHSA-N -1 0 578.071 6.038 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968072 553927096 /nfs/dbraw/zinc/92/70/96/553927096.db2.gz JBFUHULSNCKJHE-PLTNMMHCSA-N -1 0 740.731 9.211 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968086 553927337 /nfs/dbraw/zinc/92/73/37/553927337.db2.gz HNJNLKSKVQPLNG-JGCGQSQUSA-N -1 0 679.820 7.963 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968124 553927895 /nfs/dbraw/zinc/92/78/95/553927895.db2.gz OIBOWBWCADIUFP-HSZRJFAPSA-N -1 0 577.615 5.229 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968109 553927905 /nfs/dbraw/zinc/92/79/05/553927905.db2.gz WHKFJHXJUSXTKU-SSEXGKCCSA-N -1 0 651.766 7.327 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968132 553927992 /nfs/dbraw/zinc/92/79/92/553927992.db2.gz PEUOMTJWLVRVPL-AREMUKBSSA-N -1 0 599.690 5.949 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968144 553928344 /nfs/dbraw/zinc/92/83/44/553928344.db2.gz MVXYXUFQMWNOSH-RUZDIDTESA-N -1 0 615.689 5.480 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097968192 553928733 /nfs/dbraw/zinc/92/87/33/553928733.db2.gz KDUXCQLNFPCQDX-XMMPIXPASA-N -1 0 592.098 6.346 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097968179 553928827 /nfs/dbraw/zinc/92/88/27/553928827.db2.gz HIZSXTNZVKOJRJ-YTTGMZPUSA-N -1 0 728.248 8.016 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968263 553929868 /nfs/dbraw/zinc/92/98/68/553929868.db2.gz VIEDCSWBTLPXKG-MHZLTWQESA-N -1 0 700.622 7.489 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968277 553929968 /nfs/dbraw/zinc/92/99/68/553929968.db2.gz LPIQYEURHMLBNI-XMMPIXPASA-N -1 0 564.616 5.006 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968280 553929987 /nfs/dbraw/zinc/92/99/87/553929987.db2.gz HSYXARBVPZTKGI-VWLOTQADSA-N -1 0 605.669 5.922 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968272 553930002 /nfs/dbraw/zinc/93/00/02/553930002.db2.gz LUJQUHUGPPPRSK-PMERELPUSA-N -1 0 691.803 7.491 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968267 553930015 /nfs/dbraw/zinc/93/00/15/553930015.db2.gz ZYZCYXCKRUMVCB-MHZLTWQESA-N -1 0 615.733 6.482 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968284 553930068 /nfs/dbraw/zinc/93/00/68/553930068.db2.gz WQNJPEWXKMWWDO-PMERELPUSA-N -1 0 742.703 8.659 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968340 553930688 /nfs/dbraw/zinc/93/06/88/553930688.db2.gz VFQMQIPRNIZNKH-DEOSSOPVSA-N -1 0 601.662 5.171 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968349 553930734 /nfs/dbraw/zinc/93/07/34/553930734.db2.gz PODIDMXCKUYDRJ-XMMPIXPASA-N -1 0 619.652 5.310 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968373 553931131 /nfs/dbraw/zinc/93/11/31/553931131.db2.gz WJOFJUSIWLHHAV-WWOZWPLTSA-N -1 0 726.704 8.821 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968370 553931212 /nfs/dbraw/zinc/93/12/12/553931212.db2.gz SHNOUVCSGYFBMP-QHCPKHFHSA-N -1 0 577.615 5.229 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968389 553932001 /nfs/dbraw/zinc/93/20/01/553932001.db2.gz XAXDCPRQUDHEQE-AREMUKBSSA-N -1 0 619.696 6.312 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097968426 553932563 /nfs/dbraw/zinc/93/25/63/553932563.db2.gz HCJOFGOAKIKZGC-SSEXGKCCSA-N -1 0 708.258 7.862 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969121 553936575 /nfs/dbraw/zinc/93/65/75/553936575.db2.gz VWHFSYNIMIFKAS-UKPGIYTDSA-N -1 0 682.223 8.169 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969141 553936840 /nfs/dbraw/zinc/93/68/40/553936840.db2.gz YGFQPUVYTGIHNR-QUGAMOGWSA-N -1 0 603.697 6.475 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969163 553937530 /nfs/dbraw/zinc/93/75/30/553937530.db2.gz VILAKKIEPVUFTC-MUUNZHRXSA-N -1 0 658.729 6.324 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969199 553937739 /nfs/dbraw/zinc/93/77/39/553937739.db2.gz WHALWRZCWJRFPQ-UGDMGKLASA-N -1 0 647.778 7.516 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969275 553938705 /nfs/dbraw/zinc/93/87/05/553938705.db2.gz QWXFTZGHMPHVBT-OLILMLBXSA-N -1 0 662.233 8.159 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000097969256 553938725 /nfs/dbraw/zinc/93/87/25/553938725.db2.gz MNGCOQPBUCRPPY-ULKXQASOSA-N -1 0 709.821 8.054 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969262 553938732 /nfs/dbraw/zinc/93/87/32/553938732.db2.gz FLXMOMVRKGMXGF-KCWXNJEJSA-N -1 0 627.788 7.506 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969281 553938738 /nfs/dbraw/zinc/93/87/38/553938738.db2.gz ZSFREEOKHPESSI-CLYVBNDRSA-N -1 0 632.163 7.155 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969305 553939175 /nfs/dbraw/zinc/93/91/75/553939175.db2.gz IYRWEOCMHHKBJK-FZYZMVIOSA-N -1 0 639.129 7.644 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097969738 553944074 /nfs/dbraw/zinc/94/40/74/553944074.db2.gz IMYHRWMRZRXYRP-AREMUKBSSA-N -1 0 577.058 6.683 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969778 553944725 /nfs/dbraw/zinc/94/47/25/553944725.db2.gz DTZRQOHKMWMERM-WGDIFIGCSA-N -1 0 603.697 6.475 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969857 553945870 /nfs/dbraw/zinc/94/58/70/553945870.db2.gz VLOZWWNIBNGGET-KEEVHDRGSA-N -1 0 692.259 8.168 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969894 553946281 /nfs/dbraw/zinc/94/62/81/553946281.db2.gz PXQLJGLLPHLVNG-YMGMXPECSA-N -1 0 605.112 7.244 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000097969891 553946547 /nfs/dbraw/zinc/94/65/47/553946547.db2.gz CQFCLHSSESUYOL-UKPGIYTDSA-N -1 0 689.831 7.899 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969912 553946953 /nfs/dbraw/zinc/94/69/53/553946953.db2.gz FGZQKCDTOTUZRF-JCOAXYOVSA-N -1 0 665.768 7.655 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969938 553947325 /nfs/dbraw/zinc/94/73/25/553947325.db2.gz QPJGNPJEKWYLAM-IVCQMTBJSA-N -1 0 617.680 5.862 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969942 553947374 /nfs/dbraw/zinc/94/73/74/553947374.db2.gz GJLYXBKYSWQUFO-PPHZAIPVSA-N -1 0 599.734 6.726 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970012 553948207 /nfs/dbraw/zinc/94/82/07/553948207.db2.gz XCXVNGFHBWUOPR-DFXYEROKSA-N -1 0 655.798 7.209 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970057 553949033 /nfs/dbraw/zinc/94/90/33/553949033.db2.gz QTBZFWKYUGIHBY-SANMLTNESA-N -1 0 556.596 5.285 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000097970101 553949459 /nfs/dbraw/zinc/94/94/59/553949459.db2.gz OFVBSQLAYFRLNR-MUUNZHRXSA-N -1 0 648.734 6.316 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970114 553949654 /nfs/dbraw/zinc/94/96/54/553949654.db2.gz XTZZZZDKMWQPDM-MYUZEXMDSA-N -1 0 617.724 6.865 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970219 553951298 /nfs/dbraw/zinc/95/12/98/553951298.db2.gz XDUHDAMLSZHPOU-XBBWARJSSA-N -1 0 696.678 8.813 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970358 553953011 /nfs/dbraw/zinc/95/30/11/553953011.db2.gz TYPNRCBRLJCNSC-JCOAXYOVSA-N -1 0 706.286 8.414 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970366 553953345 /nfs/dbraw/zinc/95/33/45/553953345.db2.gz QLOUPHCQQPCBHU-XMMPIXPASA-N -1 0 639.480 5.726 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970502 553954942 /nfs/dbraw/zinc/95/49/42/553954942.db2.gz WICDEVOXFPZIPD-CPJLOUKISA-N -1 0 634.135 6.377 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970489 553954959 /nfs/dbraw/zinc/95/49/59/553954959.db2.gz MCUHKIKQXSIJSQ-KATKFWMUSA-N -1 0 693.847 8.277 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970528 553955619 /nfs/dbraw/zinc/95/56/19/553955619.db2.gz QXKHCNZXMLNJDA-DWXRJYCRSA-N -1 0 585.707 6.335 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970565 553955887 /nfs/dbraw/zinc/95/58/87/553955887.db2.gz GZRSESOBCJBNCF-UKPGIYTDSA-N -1 0 706.286 8.558 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970616 553956895 /nfs/dbraw/zinc/95/68/95/553956895.db2.gz QOUZDBZMIDPHES-CLYVBNDRSA-N -1 0 620.724 6.312 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097970697 553957471 /nfs/dbraw/zinc/95/74/71/553957471.db2.gz RSEGNZCTDVBTEP-CRICUBBOSA-N -1 0 571.680 5.945 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970718 553957796 /nfs/dbraw/zinc/95/77/96/553957796.db2.gz IETXFNQHGFZMEB-JCOAXYOVSA-N -1 0 706.286 8.414 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970706 553957826 /nfs/dbraw/zinc/95/78/26/553957826.db2.gz WZILWEGIYCJNJB-XMMPIXPASA-N -1 0 578.643 5.217 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970715 553957994 /nfs/dbraw/zinc/95/79/94/553957994.db2.gz SIVQTGCMDKITIU-PIIWDFAUSA-N -1 0 613.761 7.034 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970750 553958220 /nfs/dbraw/zinc/95/82/20/553958220.db2.gz PWYZTXOLDASBGL-UVDDSOTQSA-N -1 0 671.841 7.760 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970762 553958282 /nfs/dbraw/zinc/95/82/82/553958282.db2.gz BGJCALJOSRDVQH-SONOPUAISA-N -1 0 676.216 7.554 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970930 553959459 /nfs/dbraw/zinc/95/94/59/553959459.db2.gz KHMSAIUTQMDMLV-MUUNZHRXSA-N -1 0 628.703 6.403 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000097971004 553960257 /nfs/dbraw/zinc/96/02/57/553960257.db2.gz CEBSPPRAJLXWHM-AREMUKBSSA-N -1 0 647.547 7.061 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000097971818 553962885 /nfs/dbraw/zinc/96/28/85/553962885.db2.gz OBXWBUNTESSLRU-GZZLJNBRSA-N -1 0 530.584 10.281 50 30 KKEARM CCCCCCCCOc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1 ZINC000097972102 553965967 /nfs/dbraw/zinc/96/59/67/553965967.db2.gz WJWXFUULJQRTHL-GDLZYMKVSA-N -1 0 612.767 6.907 50 30 biogenic KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000097994476 554032086 /nfs/dbraw/zinc/03/20/86/554032086.db2.gz YLGKCMFYPWEDPE-YSURURNPSA-N -1 0 600.581 6.814 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccc(-c3ccccc3)cc2)cn1/N=C/c1ccccc1 ZINC000097996994 554039319 /nfs/dbraw/zinc/03/93/19/554039319.db2.gz CKLPPBKJGSVWDK-MZFIZDKJSA-N -1 0 600.314 8.081 50 30 KKEARM CCCCCCCCCCCCC(=O)[N-]S(=O)(=O)c1cnccc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000035955791 554107898 /nfs/dbraw/zinc/10/78/98/554107898.db2.gz FIXOSOVIXUXCFQ-UHFFFAOYSA-N -1 0 549.181 7.018 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000098045758 554133720 /nfs/dbraw/zinc/13/37/20/554133720.db2.gz RRGLLGLETJXUMJ-VWLOTQADSA-N -1 0 633.520 6.671 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098046335 554137936 /nfs/dbraw/zinc/13/79/36/554137936.db2.gz ZLBZRMAGIIZCKJ-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046420 554138691 /nfs/dbraw/zinc/13/86/91/554138691.db2.gz JYQUKYTWDWPACZ-HHHXNRCGSA-N -1 0 647.775 6.818 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000098046447 554138985 /nfs/dbraw/zinc/13/89/85/554138985.db2.gz UWIOTSMTBNZJGQ-VWLOTQADSA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046463 554139457 /nfs/dbraw/zinc/13/94/57/554139457.db2.gz AEMDFLKQVKZIHP-VWLOTQADSA-N -1 0 626.587 8.099 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046499 554139853 /nfs/dbraw/zinc/13/98/53/554139853.db2.gz AFMBPNYWIMQLAU-NDEPHWFRSA-N -1 0 643.693 7.692 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046498 554139935 /nfs/dbraw/zinc/13/99/35/554139935.db2.gz AFMBPNYWIMQLAU-MUUNZHRXSA-N -1 0 643.693 7.692 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)nc1C ZINC000098046523 554140121 /nfs/dbraw/zinc/14/01/21/554140121.db2.gz KXCKSRYDNUYZTD-HXUWFJFHSA-N -1 0 537.391 5.946 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OC ZINC000098046536 554140148 /nfs/dbraw/zinc/14/01/48/554140148.db2.gz MHVXCWTYQBADDU-LJAQVGFWSA-N -1 0 676.216 8.591 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000098046524 554140308 /nfs/dbraw/zinc/14/03/08/554140308.db2.gz KXCKSRYDNUYZTD-FQEVSTJZSA-N -1 0 537.391 5.946 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(O)cc2)nc1C ZINC000098046695 554142383 /nfs/dbraw/zinc/14/23/83/554142383.db2.gz OYZOXOGNEPPRDN-RUZDIDTESA-N -1 0 570.623 5.614 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046713 554142717 /nfs/dbraw/zinc/14/27/17/554142717.db2.gz HESCSUOHCFFRKI-JOCHJYFZSA-N -1 0 550.061 6.275 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047254 554148363 /nfs/dbraw/zinc/14/83/63/554148363.db2.gz IMLLLAVAQCDYJE-LJAQVGFWSA-N -1 0 639.730 7.862 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098047256 554148440 /nfs/dbraw/zinc/14/84/40/554148440.db2.gz NTHRRUKXTQDSBT-PMERELPUSA-N -1 0 687.746 7.488 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000098047269 554148803 /nfs/dbraw/zinc/14/88/03/554148803.db2.gz JNZQDXOVHBAGKG-AREMUKBSSA-N -1 0 662.562 7.677 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047281 554148893 /nfs/dbraw/zinc/14/88/93/554148893.db2.gz HZFCUJSVENRMJK-RUZDIDTESA-N -1 0 564.660 5.879 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000098047273 554148914 /nfs/dbraw/zinc/14/89/14/554148914.db2.gz CKRAADJNCWPBMY-AREMUKBSSA-N -1 0 599.665 6.620 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047352 554149508 /nfs/dbraw/zinc/14/95/08/554149508.db2.gz IJSQLJCXPXHECP-XMMPIXPASA-N -1 0 593.130 6.841 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000098047346 554149707 /nfs/dbraw/zinc/14/97/07/554149707.db2.gz VYSZOHXMZXSPCO-AREMUKBSSA-N -1 0 605.713 6.940 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047384 554150136 /nfs/dbraw/zinc/15/01/36/554150136.db2.gz XNGYQYNJDFGEEB-HSZRJFAPSA-N -1 0 537.638 5.641 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047401 554150439 /nfs/dbraw/zinc/15/04/39/554150439.db2.gz JYFMNUMBSMNCDX-PMERELPUSA-N -1 0 678.276 9.015 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047405 554150648 /nfs/dbraw/zinc/15/06/48/554150648.db2.gz YOLIEUDFPSCCAL-LJAQVGFWSA-N -1 0 647.794 8.110 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047431 554150984 /nfs/dbraw/zinc/15/09/84/554150984.db2.gz ZLQVHAHMZLYPMJ-NDEPHWFRSA-N -1 0 633.767 7.720 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047451 554151324 /nfs/dbraw/zinc/15/13/24/554151324.db2.gz UGEMIUZOVBSZDM-LJAQVGFWSA-N -1 0 645.803 7.508 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047457 554151378 /nfs/dbraw/zinc/15/13/78/554151378.db2.gz UGNQMSBNDZAPBE-XIFFEERXSA-N -1 0 677.848 8.680 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047498 554151675 /nfs/dbraw/zinc/15/16/75/554151675.db2.gz NBSXFIGFUSKVPV-YTTGMZPUSA-N -1 0 692.875 8.584 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047557 554152710 /nfs/dbraw/zinc/15/27/10/554152710.db2.gz OXHCHAIZNQBQIK-WJOKGBTCSA-N -1 0 691.847 8.365 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OC ZINC000098047564 554152772 /nfs/dbraw/zinc/15/27/72/554152772.db2.gz DKRWGLFVJNDNCI-YTTGMZPUSA-N -1 0 687.884 8.760 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047580 554152986 /nfs/dbraw/zinc/15/29/86/554152986.db2.gz DROFBQLWWWEWAN-YTTGMZPUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047579 554152999 /nfs/dbraw/zinc/15/29/99/554152999.db2.gz DROFBQLWWWEWAN-JGCGQSQUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OC ZINC000098047578 554153032 /nfs/dbraw/zinc/15/30/32/554153032.db2.gz VYYJYGIPNDIVSW-XIFFEERXSA-N -1 0 719.901 9.289 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047581 554153146 /nfs/dbraw/zinc/15/31/46/554153146.db2.gz OOCVJAYQRSCRNV-RUZDIDTESA-N -1 0 620.684 6.840 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047604 554153614 /nfs/dbraw/zinc/15/36/14/554153614.db2.gz FZTGGSADZSMBOO-NDEPHWFRSA-N -1 0 661.802 7.126 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047681 554154409 /nfs/dbraw/zinc/15/44/09/554154409.db2.gz OXABTBKSVYBTEB-RUZDIDTESA-N -1 0 626.587 8.099 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047721 554154771 /nfs/dbraw/zinc/15/47/71/554154771.db2.gz CTLFIHCIURAWPV-WJOKGBTCSA-N -1 0 669.800 8.483 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047716 554154825 /nfs/dbraw/zinc/15/48/25/554154825.db2.gz DOEBYSNKOXOLEX-YTTGMZPUSA-N -1 0 699.826 8.492 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047714 554154882 /nfs/dbraw/zinc/15/48/82/554154882.db2.gz IMUACJDCDWPGHH-LJAQVGFWSA-N -1 0 639.730 7.479 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047733 554155272 /nfs/dbraw/zinc/15/52/72/554155272.db2.gz UZQUCIKCKFETDO-GDLZYMKVSA-N -1 0 641.746 7.703 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1F ZINC000098047728 554155323 /nfs/dbraw/zinc/15/53/23/554155323.db2.gz HDDUMLQWFVPTBA-NDEPHWFRSA-N -1 0 643.718 6.931 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Cl)c2)cc1F ZINC000098047828 554156598 /nfs/dbraw/zinc/15/65/98/554156598.db2.gz GGFWZYXPWXRQLR-SANMLTNESA-N -1 0 602.112 7.867 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098050347 554173878 /nfs/dbraw/zinc/17/38/78/554173878.db2.gz PGFWZYPIZUXBLH-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1C ZINC000098050343 554173972 /nfs/dbraw/zinc/17/39/72/554173972.db2.gz GLHYEIXFTQQNJD-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100005915 554178042 /nfs/dbraw/zinc/17/80/42/554178042.db2.gz IEWXVJXQAZSJSJ-BWAHOGKJSA-N -1 0 533.249 5.834 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(C(C)(C)C)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000100006064 554178290 /nfs/dbraw/zinc/17/82/90/554178290.db2.gz FFTGBCIBGVHXRS-OOAXWGSJSA-N -1 0 541.431 5.639 50 30 KKEARM CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C=Nc4ccccc4C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000100039623 554191938 /nfs/dbraw/zinc/19/19/38/554191938.db2.gz WGMXUWPLROIYEX-OHXIEAONSA-N -1 0 542.591 5.737 50 30 KKEARM O=C(CSc1nc2ccc(/N=C\c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000100057179 554196760 /nfs/dbraw/zinc/19/67/60/554196760.db2.gz JSCWTERBDJKWST-NUJZUDFISA-N -1 0 554.609 7.291 50 30 KKEARM CCCCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000100144248 554229726 /nfs/dbraw/zinc/22/97/26/554229726.db2.gz IQFKPEXGMPXWRR-IQDGNKONSA-N -1 0 538.453 5.636 50 30 KKEARM CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000100156512 554233133 /nfs/dbraw/zinc/23/31/33/554233133.db2.gz QQVFZSILAPDWID-SDCZFJSOSA-N -1 0 574.500 6.245 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100215559 554250108 /nfs/dbraw/zinc/25/01/08/554250108.db2.gz QCIUSSHSNAFRTO-SLOBHAQXSA-N -1 0 612.458 6.267 50 30 KKEARM CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)[nH]1 ZINC000100307640 554296047 /nfs/dbraw/zinc/29/60/47/554296047.db2.gz NUVIBPSQTHIMKV-UHFFFAOYSA-N -1 0 570.796 9.080 50 30 KKEARM Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3[O-])nc(N3CCOCC3)n2)cc1Cl ZINC000049808664 554326171 /nfs/dbraw/zinc/32/61/71/554326171.db2.gz GGNLKUAQURGZOJ-OPEKNORGSA-N -1 0 597.699 5.090 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053290014 554331260 /nfs/dbraw/zinc/33/12/60/554331260.db2.gz FEJVJPNJRHKFME-LJQANCHMSA-N -1 0 547.416 5.645 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000053292290 554332366 /nfs/dbraw/zinc/33/23/66/554332366.db2.gz JOFGGFIZXJNGRG-XMMPIXPASA-N -1 0 535.021 6.530 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053305844 554332821 /nfs/dbraw/zinc/33/28/21/554332821.db2.gz IPPYSMWNSXICDU-JOCHJYFZSA-N -1 0 535.965 6.040 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053306243 554333595 /nfs/dbraw/zinc/33/35/95/554333595.db2.gz BGYKPFGTLJZUAJ-HSZRJFAPSA-N -1 0 531.546 5.395 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053306666 554334323 /nfs/dbraw/zinc/33/43/23/554334323.db2.gz WZEAMWYWJGYBCA-OAQYLSRUSA-N -1 0 583.460 5.657 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053306954 554334841 /nfs/dbraw/zinc/33/48/41/554334841.db2.gz JANFJLQACDDVHJ-QHCPKHFHSA-N -1 0 531.546 5.395 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000053307277 554335158 /nfs/dbraw/zinc/33/51/58/554335158.db2.gz QOGBBBLDPOVOHI-HXUWFJFHSA-N -1 0 571.449 5.491 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319123 554335862 /nfs/dbraw/zinc/33/58/62/554335862.db2.gz FENKUHQYKAQWMP-QFIPXVFZSA-N -1 0 537.410 6.598 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053319097 554335955 /nfs/dbraw/zinc/33/59/55/554335955.db2.gz KRQPUWMXTKLLDP-LJQANCHMSA-N -1 0 557.422 5.101 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000053319349 554337310 /nfs/dbraw/zinc/33/73/10/554337310.db2.gz IBYSMJGJRJAVLP-NRFANRHFSA-N -1 0 551.577 5.025 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319367 554337624 /nfs/dbraw/zinc/33/76/24/554337624.db2.gz JIAXPXPPHWDXHU-LJQANCHMSA-N -1 0 547.416 5.645 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053319451 554338232 /nfs/dbraw/zinc/33/82/32/554338232.db2.gz OLAXROQSGULNRN-NRFANRHFSA-N -1 0 573.454 6.201 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053332833 554339041 /nfs/dbraw/zinc/33/90/41/554339041.db2.gz CLJYVZNARKAVQD-LFPIHBKWSA-N -1 0 533.005 6.065 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000053335306 554341146 /nfs/dbraw/zinc/34/11/46/554341146.db2.gz XEIZTVGACLRNCD-DEOSSOPVSA-N -1 0 549.004 5.903 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053337356 554342064 /nfs/dbraw/zinc/34/20/64/554342064.db2.gz RVFBZUUSSBOFIF-MQNRADLISA-N -1 0 591.483 6.564 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337885 554342390 /nfs/dbraw/zinc/34/23/90/554342390.db2.gz HFVOJCAJLVCJFD-HSZRJFAPSA-N -1 0 534.977 5.512 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053338742 554342851 /nfs/dbraw/zinc/34/28/51/554342851.db2.gz KRLVJZGMFUJUKE-JOCHJYFZSA-N -1 0 549.948 5.412 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053339904 554343890 /nfs/dbraw/zinc/34/38/90/554343890.db2.gz UGGMAUWYQQHSKB-SXBQZSJRSA-N -1 0 581.477 7.108 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053340438 554344234 /nfs/dbraw/zinc/34/42/34/554344234.db2.gz KWUCMKWMFUQMTQ-OAQYLSRUSA-N -1 0 538.603 5.175 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100512416 554408723 /nfs/dbraw/zinc/40/87/23/554408723.db2.gz MILLLYWJWXESAS-UQRQXUALSA-N -1 0 578.879 6.648 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677774 554444898 /nfs/dbraw/zinc/44/48/98/554444898.db2.gz HPGVKSGTQRDQIH-MHZLTWQESA-N -1 0 622.740 6.778 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100678338 554444927 /nfs/dbraw/zinc/44/49/27/554444927.db2.gz HWYCZCRKQABHDR-SANMLTNESA-N -1 0 608.713 6.243 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677761 554445070 /nfs/dbraw/zinc/44/50/70/554445070.db2.gz WDECYXKUTDQVRG-SANMLTNESA-N -1 0 610.704 6.826 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100679427 554445282 /nfs/dbraw/zinc/44/52/82/554445282.db2.gz QXUXFTMTSIADJG-DEOSSOPVSA-N -1 0 580.659 5.607 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679885 554445647 /nfs/dbraw/zinc/44/56/47/554445647.db2.gz JUSQYVHEPVSVML-VWLOTQADSA-N -1 0 576.671 6.155 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100679939 554445979 /nfs/dbraw/zinc/44/59/79/554445979.db2.gz GPHVIAZOOPJJOW-AREMUKBSSA-N -1 0 606.697 6.163 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)cc2)nc1C ZINC000100680388 554446666 /nfs/dbraw/zinc/44/66/66/554446666.db2.gz HJOCTBZTLYXUMC-HHHXNRCGSA-N -1 0 604.725 6.935 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000100680675 554446684 /nfs/dbraw/zinc/44/66/84/554446684.db2.gz FWEPEOVLKCMWGL-RUZDIDTESA-N -1 0 592.670 5.860 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100681089 554447199 /nfs/dbraw/zinc/44/71/99/554447199.db2.gz JKYHNCRWTDENEE-OAQYLSRUSA-N -1 0 575.470 6.507 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000100681017 554447211 /nfs/dbraw/zinc/44/72/11/554447211.db2.gz ZHEXPEKUAAPQKE-JOCHJYFZSA-N -1 0 538.597 5.729 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000100681439 554447500 /nfs/dbraw/zinc/44/75/00/554447500.db2.gz YBGOHABOYLVKKK-FQEVSTJZSA-N -1 0 526.973 5.678 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000100681473 554447837 /nfs/dbraw/zinc/44/78/37/554447837.db2.gz KEFDCBSJFMVLBF-HXUWFJFHSA-N -1 0 571.424 5.787 50 30 KKEARM CCCCCCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c([O-])c2ccccc21 ZINC000100706526 554453111 /nfs/dbraw/zinc/45/31/11/554453111.db2.gz CRPWMGNSAPFOJP-UHFFFAOYSA-N -1 0 540.483 6.816 50 30 KKEARM CN1CCc2c(sc(/N=C\c3cc(Br)cc(Br)c3[O-])c2C(=O)OC(C)(C)C)C1 ZINC000100771380 554471381 /nfs/dbraw/zinc/47/13/81/554471381.db2.gz ZUKRFAFOYSCTIR-AQHIEDMUSA-N -1 0 530.282 5.673 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000100891158 554511960 /nfs/dbraw/zinc/51/19/60/554511960.db2.gz FBANEWQEXNESHV-CRICUBBOSA-N -1 0 526.574 5.807 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000101007274 554555180 /nfs/dbraw/zinc/55/51/80/554555180.db2.gz XRVGTTMSNHIHKR-XNLNZBGWSA-N -1 0 510.518 5.636 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2C(=O)[O-])[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000101022289 554561959 /nfs/dbraw/zinc/56/19/59/554561959.db2.gz ORTKKAYEMJJAGB-PKHCJMHPSA-N -1 0 625.678 5.880 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000101062637 554570680 /nfs/dbraw/zinc/57/06/80/554570680.db2.gz MNRZSZBJIIKHHZ-NHFXJNLRSA-N -1 0 526.343 5.269 50 30 KKEARM CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069800 554574481 /nfs/dbraw/zinc/57/44/81/554574481.db2.gz SJRVUQOZJUOZDX-HOGKFDNTSA-N -1 0 510.771 5.931 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072836 554576612 /nfs/dbraw/zinc/57/66/12/554576612.db2.gz LHWNJMXHKUMHSU-LFVOPCPISA-N -1 0 511.422 6.055 50 30 KKEARM Cc1[n-]n(-c2ncc(-c3ccc(Br)cc3)s2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000101084763 554580457 /nfs/dbraw/zinc/58/04/57/554580457.db2.gz HRIUFWZLLZBARB-ULJHMMPZSA-N -1 0 564.219 5.434 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Br)s1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101089869 554581695 /nfs/dbraw/zinc/58/16/95/554581695.db2.gz IGZWBPFTLXSGJT-SHACYNPGSA-N -1 0 566.502 6.723 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100208 554587114 /nfs/dbraw/zinc/58/71/14/554587114.db2.gz VJEOYVDWWSUJNM-IAMBOQNYSA-N -1 0 537.410 6.441 50 30 KKEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100201 554587164 /nfs/dbraw/zinc/58/71/64/554587164.db2.gz FIMYYOISEQLWDA-GHNGSUTGSA-N -1 0 503.805 5.802 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000101101540 554638759 /nfs/dbraw/zinc/63/87/59/554638759.db2.gz VNUFXSJKPBOSAL-MOBKVPTQSA-N -1 0 583.847 6.110 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000101276833 554703548 /nfs/dbraw/zinc/70/35/48/554703548.db2.gz SPFVGAOJEUVWQT-CJJGVWJISA-N -1 0 618.664 5.155 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316895 554724144 /nfs/dbraw/zinc/72/41/44/554724144.db2.gz OXKIEFSDSZCXRX-NGAXIMOQSA-N -1 0 597.718 6.345 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000101316973 554724335 /nfs/dbraw/zinc/72/43/35/554724335.db2.gz XPIZKVVEMNGGDW-JVJOXMINSA-N -1 0 615.708 6.484 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000101338220 554734840 /nfs/dbraw/zinc/73/48/40/554734840.db2.gz JNSMYSZVJDIXKA-QHCPKHFHSA-N -1 0 610.088 6.501 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1F ZINC000101344533 554736803 /nfs/dbraw/zinc/73/68/03/554736803.db2.gz BZVDZLTYPOPIMQ-AREMUKBSSA-N -1 0 585.657 7.353 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1F ZINC000101344535 554736820 /nfs/dbraw/zinc/73/68/20/554736820.db2.gz BZVDZLTYPOPIMQ-SANMLTNESA-N -1 0 585.657 7.353 50 30 KKEARM CCCOC(=O)c1cc(/N=C/c2cc(Br)cc(Br)c2[O-])ccc1N1CCOCC1 ZINC000101348091 554737613 /nfs/dbraw/zinc/73/76/13/554737613.db2.gz RVCFVFOWNLXPJH-ZMOGYAJESA-N -1 0 526.225 5.071 50 30 KKEARM O=c1c(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101451909 554775677 /nfs/dbraw/zinc/77/56/77/554775677.db2.gz CRBRDMDQLHCDEW-IADYIPOJSA-N -1 0 537.388 6.244 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S/C2=N/c2ccccc2)cc1 ZINC000101643730 554814716 /nfs/dbraw/zinc/81/47/16/554814716.db2.gz WZNBHTWGANPFEI-IDEODVPUSA-N -1 0 525.542 6.357 50 30 KKEARM CCOC(=O)COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000102052274 554871668 /nfs/dbraw/zinc/87/16/68/554871668.db2.gz HBVMTMZJCUFXAG-OLILMLBXSA-N -1 0 583.666 5.841 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OCc1ccccc1 ZINC000102052762 554871883 /nfs/dbraw/zinc/87/18/83/554871883.db2.gz JXOFRPYAQSGCHU-CAQRMWTPSA-N -1 0 617.727 7.486 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052879 554871980 /nfs/dbraw/zinc/87/19/80/554871980.db2.gz ACXNGFUTXGJQKW-XBBWARJSSA-N -1 0 545.588 5.143 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1O ZINC000102053131 554872085 /nfs/dbraw/zinc/87/20/85/554872085.db2.gz XWVADTJDMFBOQW-QLXKLKPCSA-N -1 0 527.602 5.613 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052905 554872126 /nfs/dbraw/zinc/87/21/26/554872126.db2.gz YCQOWELUPWCKTH-LDLUVENISA-N -1 0 545.588 5.143 50 30 KKEARM CCCCCCCCCCCCc1ccc(N(C(=O)c2ccc3ccccc3c2O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000102054379 554872406 /nfs/dbraw/zinc/87/24/06/554872406.db2.gz MJGRJOBTBCIKCK-UHFFFAOYSA-N -1 0 551.727 9.686 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 ZINC000102053356 554872445 /nfs/dbraw/zinc/87/24/45/554872445.db2.gz XFGQPLQBQPSOSC-CRYYWNKWSA-N -1 0 541.629 5.916 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102484087 554937672 /nfs/dbraw/zinc/93/76/72/554937672.db2.gz UPONJHGEEXOERW-HOGKFDNTSA-N -1 0 508.958 6.114 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000102484987 554938012 /nfs/dbraw/zinc/93/80/12/554938012.db2.gz LUIQCLQBUUEKDA-HOGKFDNTSA-N -1 0 541.398 5.378 50 30 KKEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102487386 554938535 /nfs/dbraw/zinc/93/85/35/554938535.db2.gz KKPWPNRCCUCTKS-IUKMQXEJSA-N -1 0 500.938 5.842 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102488937 554938815 /nfs/dbraw/zinc/93/88/15/554938815.db2.gz VIPDPBREHCPCFI-HOGKFDNTSA-N -1 0 551.418 5.702 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102491322 554939470 /nfs/dbraw/zinc/93/94/70/554939470.db2.gz HSYXSTMMMXKYOU-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102492902 554939648 /nfs/dbraw/zinc/93/96/48/554939648.db2.gz NFGPANVWQHVKPP-MOBKVPTQSA-N -1 0 506.967 5.593 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102495367 554940369 /nfs/dbraw/zinc/94/03/69/554940369.db2.gz GOUSCDLTFYJBLA-JBCNATCCSA-N -1 0 524.957 5.732 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102497590 554941283 /nfs/dbraw/zinc/94/12/83/554941283.db2.gz AJWILOZBGBPUAV-AYWGPLOBSA-N -1 0 565.445 6.092 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102497599 554941338 /nfs/dbraw/zinc/94/13/38/554941338.db2.gz AJWILOZBGBPUAV-ZHHPLPSFSA-N -1 0 565.445 6.092 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102501941 554943431 /nfs/dbraw/zinc/94/34/31/554943431.db2.gz JDXFZPCPWOBLIZ-JBCNATCCSA-N -1 0 511.386 6.238 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102508747 554945669 /nfs/dbraw/zinc/94/56/69/554945669.db2.gz AQEPKBAHDBFNEY-IUKMQXEJSA-N -1 0 500.507 5.098 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000102514967 554947651 /nfs/dbraw/zinc/94/76/51/554947651.db2.gz IKJUZZKYWIKVJV-MRJHHRETSA-N -1 0 524.570 5.182 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102517472 554948479 /nfs/dbraw/zinc/94/84/79/554948479.db2.gz JTCZLOPLZBGZBX-DFXXOVSGSA-N -1 0 628.703 6.159 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102519062 554949016 /nfs/dbraw/zinc/94/90/16/554949016.db2.gz ONOGOGKPMIJYFT-JBCNATCCSA-N -1 0 555.837 6.347 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102519146 554949356 /nfs/dbraw/zinc/94/93/56/554949356.db2.gz JBVXFGAPAAZEOO-QOJBNDRUSA-N -1 0 515.443 6.908 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102520623 554949664 /nfs/dbraw/zinc/94/96/64/554949664.db2.gz WVYJHNJDLOUMPO-MRJHHRETSA-N -1 0 539.382 5.833 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102525531 554951955 /nfs/dbraw/zinc/95/19/55/554951955.db2.gz RVXIVDUNPJAPIQ-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102529944 554953442 /nfs/dbraw/zinc/95/34/42/554953442.db2.gz SDRHGBNICKOYJR-NXLSWJSLSA-N -1 0 534.565 5.478 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102529508 554953485 /nfs/dbraw/zinc/95/34/85/554953485.db2.gz IFVPGPZEVCVFRF-NXLSWJSLSA-N -1 0 517.050 7.182 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102546867 554959712 /nfs/dbraw/zinc/95/97/12/554959712.db2.gz LVOZOFLAAJFTJN-FSDXSRJSSA-N -1 0 589.670 5.928 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000102548924 554960581 /nfs/dbraw/zinc/96/05/81/554960581.db2.gz ABRLQZFVXMEBCH-FECHNCLXSA-N -1 0 565.420 6.148 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102552984 554962801 /nfs/dbraw/zinc/96/28/01/554962801.db2.gz SRMCSQULUMKDJZ-MOBKVPTQSA-N -1 0 551.349 5.160 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102552792 554962828 /nfs/dbraw/zinc/96/28/28/554962828.db2.gz WONYJSPSLHICTQ-MWCANZRFSA-N -1 0 599.690 5.567 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102562462 554968646 /nfs/dbraw/zinc/96/86/46/554968646.db2.gz DPIIJOYCKVMVNF-NPJIAGGLSA-N -1 0 563.031 6.136 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563412 554968894 /nfs/dbraw/zinc/96/88/94/554968894.db2.gz BLYHBIIIFSMMKQ-FSISNWKMSA-N -1 0 577.456 6.017 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102580244 554972187 /nfs/dbraw/zinc/97/21/87/554972187.db2.gz BUHRNTXPCZGUPO-ZHHPLPSFSA-N -1 0 612.516 6.535 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102581880 554972664 /nfs/dbraw/zinc/97/26/64/554972664.db2.gz VPNFQZKSJMTAAS-SBXHHDGASA-N -1 0 608.097 5.890 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102591476 554974211 /nfs/dbraw/zinc/97/42/11/554974211.db2.gz LREPNWJIZRERQB-IUKMQXEJSA-N -1 0 622.124 6.280 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102597757 554977093 /nfs/dbraw/zinc/97/70/93/554977093.db2.gz RWDZHHAUIVRIPK-NXLSWJSLSA-N -1 0 619.652 5.154 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102600269 554977605 /nfs/dbraw/zinc/97/76/05/554977605.db2.gz KIQHEXZFZPIQGH-AYWGPLOBSA-N -1 0 577.615 5.073 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606086 554978872 /nfs/dbraw/zinc/97/88/72/554978872.db2.gz MDOXMGKFDWYYDC-MYYSRTQBSA-N -1 0 535.622 5.140 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102607177 554979884 /nfs/dbraw/zinc/97/98/84/554979884.db2.gz QLZAZYCRLSAQCF-CJJGVWJISA-N -1 0 585.707 6.351 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102608802 554980526 /nfs/dbraw/zinc/98/05/26/554980526.db2.gz QXAIZQWVOSSERS-WRPQUVRJSA-N -1 0 594.089 6.573 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102615855 554984357 /nfs/dbraw/zinc/98/43/57/554984357.db2.gz DWBZJNOTACKMTQ-ONQGDUAMSA-N -1 0 582.634 5.631 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102621265 554987138 /nfs/dbraw/zinc/98/71/38/554987138.db2.gz RRJRXYUKRBHSHM-TXTDGAROSA-N -1 0 629.760 6.715 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102652703 554996839 /nfs/dbraw/zinc/99/68/39/554996839.db2.gz NDLPCZAVICQZPR-CZNAVJSXSA-N -1 0 604.681 5.761 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102653362 554997215 /nfs/dbraw/zinc/99/72/15/554997215.db2.gz JJQBQLNPHNFHHE-KNZGKXHUSA-N -1 0 516.550 5.394 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102660271 555000202 /nfs/dbraw/zinc/00/02/02/555000202.db2.gz RKHMZLNNNWTEFP-BBHOXHGRSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102673382 555003075 /nfs/dbraw/zinc/00/30/75/555003075.db2.gz IHAFYXDHGXPMTC-HALAOQOWSA-N -1 0 592.098 6.139 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102699286 555012407 /nfs/dbraw/zinc/01/24/07/555012407.db2.gz MCRPZUYMIDHYMF-ZHHPLPSFSA-N -1 0 534.590 5.412 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102700276 555012870 /nfs/dbraw/zinc/01/28/70/555012870.db2.gz LAFANJREVHAFKE-IUKMQXEJSA-N -1 0 536.422 5.405 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102722578 555020697 /nfs/dbraw/zinc/02/06/97/555020697.db2.gz SWGCEHWJSRNVME-MOBKVPTQSA-N -1 0 537.410 6.387 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102723962 555020994 /nfs/dbraw/zinc/02/09/94/555020994.db2.gz KQCPJNDNCJMZBX-HOGKFDNTSA-N -1 0 509.414 6.792 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102735615 555025779 /nfs/dbraw/zinc/02/57/79/555025779.db2.gz AQEXSDXEEVLINK-XLNMUAQOSA-N -1 0 504.514 5.524 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736985 555026444 /nfs/dbraw/zinc/02/64/44/555026444.db2.gz UXLVVDZMFOWANP-JRPVAJNPSA-N -1 0 557.584 5.553 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736966 555026481 /nfs/dbraw/zinc/02/64/81/555026481.db2.gz TWAIIZIRKRLBJO-GMBUILNLSA-N -1 0 543.557 5.163 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736928 555026530 /nfs/dbraw/zinc/02/65/30/555026530.db2.gz FGDSXLUFVPIPLJ-KYWXLPDZSA-N -1 0 547.976 5.808 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771065 555059398 /nfs/dbraw/zinc/05/93/98/555059398.db2.gz PVQYELIFUBRXEV-KYWXLPDZSA-N -1 0 520.969 6.039 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771300 555060043 /nfs/dbraw/zinc/06/00/43/555060043.db2.gz BQXRHKGOCCDQNE-NEMSTITPSA-N -1 0 590.126 6.742 50 30 KKEARM Cc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3[O-])nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000102777781 555063664 /nfs/dbraw/zinc/06/36/64/555063664.db2.gz ULBZEZLGPGBMGB-FSGOGVSDSA-N -1 0 538.612 5.443 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1ccco1 ZINC000102789051 555068518 /nfs/dbraw/zinc/06/85/18/555068518.db2.gz KFQCOHMBQRMZEO-HXUWFJFHSA-N -1 0 606.421 5.567 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102860786 555091294 /nfs/dbraw/zinc/09/12/94/555091294.db2.gz UHPSVPVHAUESMW-AYWGPLOBSA-N -1 0 531.546 5.238 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102863453 555093291 /nfs/dbraw/zinc/09/32/91/555093291.db2.gz UAXWDUHMRAJIOH-JBCNATCCSA-N -1 0 539.407 5.985 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000102868128 555097587 /nfs/dbraw/zinc/09/75/87/555097587.db2.gz BQFJQTSJPSOERR-YDJIHCHBSA-N -1 0 547.630 6.491 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869509 555098819 /nfs/dbraw/zinc/09/88/19/555098819.db2.gz VJHROUKXINXEAE-YFVVEFNMSA-N -1 0 613.761 6.959 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102872954 555103538 /nfs/dbraw/zinc/10/35/38/555103538.db2.gz KGDINQBMIOGYCN-NXLSWJSLSA-N -1 0 544.585 5.117 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102873705 555104021 /nfs/dbraw/zinc/10/40/21/555104021.db2.gz ZFGUSFBHIWIYAR-MRJHHRETSA-N -1 0 538.603 5.019 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874627 555104832 /nfs/dbraw/zinc/10/48/32/555104832.db2.gz GPOSVMFWDRDRDI-NHFXJNLRSA-N -1 0 561.443 5.878 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102874707 555104844 /nfs/dbraw/zinc/10/48/44/555104844.db2.gz MHBHRDXRXTVGNB-NXLSWJSLSA-N -1 0 564.591 5.486 50 30 KKEARM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102876470 555106119 /nfs/dbraw/zinc/10/61/19/555106119.db2.gz JEBZCXMBBRIJNS-MOBKVPTQSA-N -1 0 524.957 5.732 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102877893 555107234 /nfs/dbraw/zinc/10/72/34/555107234.db2.gz XOJOXGDJFTUDKS-SBXHHDGASA-N -1 0 518.566 5.859 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102878603 555107784 /nfs/dbraw/zinc/10/77/84/555107784.db2.gz GZWKYSXLJNKSGY-HVESIFNPSA-N -1 0 503.363 5.171 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102881721 555110082 /nfs/dbraw/zinc/11/00/82/555110082.db2.gz KWPHZHPCHZAQDX-CJJGVWJISA-N -1 0 530.964 5.850 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102881723 555110256 /nfs/dbraw/zinc/11/02/56/555110256.db2.gz KWPHZHPCHZAQDX-CZNAVJSXSA-N -1 0 530.964 5.850 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102882782 555111162 /nfs/dbraw/zinc/11/11/62/555111162.db2.gz PTZNZLBNZAIQDZ-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102882927 555111423 /nfs/dbraw/zinc/11/14/23/555111423.db2.gz FXILAMULQCHRTG-IDTYTIONSA-N -1 0 509.392 5.233 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102883455 555111706 /nfs/dbraw/zinc/11/17/06/555111706.db2.gz GJIJGJVOECYPCV-ZHHPLPSFSA-N -1 0 534.977 5.356 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102884531 555113551 /nfs/dbraw/zinc/11/35/51/555113551.db2.gz WZDSJZYFPBNZRD-IWUDECAASA-N -1 0 539.009 5.231 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102886093 555116257 /nfs/dbraw/zinc/11/62/57/555116257.db2.gz LDMFZYRTXJWMSN-ONQGDUAMSA-N -1 0 570.623 5.518 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc(Cl)c3)cc2)c1 ZINC000102886921 555117801 /nfs/dbraw/zinc/11/78/01/555117801.db2.gz LYZBYQMEQCPQPC-NXLSWJSLSA-N -1 0 517.006 6.310 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102887305 555118833 /nfs/dbraw/zinc/11/88/33/555118833.db2.gz BBQMRYCDWAPUOX-ROBPHKHBSA-N -1 0 617.724 6.708 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(O)cc2)o1 ZINC000102887496 555119175 /nfs/dbraw/zinc/11/91/75/555119175.db2.gz WXFYOHQSEAPWGK-NHFXJNLRSA-N -1 0 505.577 5.064 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102888261 555121144 /nfs/dbraw/zinc/12/11/44/555121144.db2.gz FWTOIUXJIIMMQG-PLWHFILJSA-N -1 0 613.717 5.875 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888874 555122480 /nfs/dbraw/zinc/12/24/80/555122480.db2.gz DFIQWXFXKAMDTH-ZLYDLHQSSA-N -1 0 599.734 6.487 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102888875 555122553 /nfs/dbraw/zinc/12/25/53/555122553.db2.gz DFIQWXFXKAMDTH-NGAXIMOQSA-N -1 0 599.734 6.487 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000102888969 555122980 /nfs/dbraw/zinc/12/29/80/555122980.db2.gz FICRXUJVGOLQHQ-YDJIHCHBSA-N -1 0 504.593 5.062 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102889175 555123134 /nfs/dbraw/zinc/12/31/34/555123134.db2.gz FZEBWGZORDTNHW-NPJIAGGLSA-N -1 0 592.670 5.595 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889309 555123470 /nfs/dbraw/zinc/12/34/70/555123470.db2.gz RCMYYDQKANRILW-JBODOUGHSA-N -1 0 576.602 5.411 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102889329 555123575 /nfs/dbraw/zinc/12/35/75/555123575.db2.gz ARFBWYBMMUICAY-NPJIAGGLSA-N -1 0 592.670 5.451 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889563 555123808 /nfs/dbraw/zinc/12/38/08/555123808.db2.gz MOEWHYVMYSZBCK-FSDXSRJSSA-N -1 0 592.670 5.375 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102892319 555128498 /nfs/dbraw/zinc/12/84/98/555128498.db2.gz SHGLAKCPWIJNIY-SBXHHDGASA-N -1 0 559.556 5.001 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892713 555128979 /nfs/dbraw/zinc/12/89/79/555128979.db2.gz YXHABXSFOQDFLG-FSISNWKMSA-N -1 0 544.560 5.172 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892820 555129312 /nfs/dbraw/zinc/12/93/12/555129312.db2.gz OSVYJVDUWANVJZ-QDMOOSCLSA-N -1 0 567.450 6.561 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892818 555129328 /nfs/dbraw/zinc/12/93/28/555129328.db2.gz OSVYJVDUWANVJZ-KGDZIIOTSA-N -1 0 567.450 6.561 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102893105 555129921 /nfs/dbraw/zinc/12/99/21/555129921.db2.gz QPJQNKNTCAZHCV-OGHRCCBNSA-N -1 0 617.680 5.706 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102893408 555130766 /nfs/dbraw/zinc/13/07/66/555130766.db2.gz CZCLGMGOHAQFNX-VEZPTTSMSA-N -1 0 630.719 6.670 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102894565 555132554 /nfs/dbraw/zinc/13/25/54/555132554.db2.gz OJGCSHQZMQWPKO-IOUQRVAPSA-N -1 0 585.707 6.179 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895725 555134836 /nfs/dbraw/zinc/13/48/36/555134836.db2.gz ICFCGXWZFNCMMB-GRBPGWBESA-N -1 0 619.139 7.477 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102895730 555134952 /nfs/dbraw/zinc/13/49/52/555134952.db2.gz ICFCGXWZFNCMMB-GBIFRDBCSA-N -1 0 619.139 7.477 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000102925070 555149447 /nfs/dbraw/zinc/14/94/47/555149447.db2.gz PLXCAGJPOADPOF-HOGKFDNTSA-N -1 0 541.398 5.378 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102927997 555152828 /nfs/dbraw/zinc/15/28/28/555152828.db2.gz FBQRBFIIAVDATA-LFVOPCPISA-N -1 0 527.421 5.755 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000102931133 555158324 /nfs/dbraw/zinc/15/83/24/555158324.db2.gz MJVDZLKUQQTOSR-MOBKVPTQSA-N -1 0 506.967 5.593 50 30 KKEARM Cc1[n-]n(-c2ncc(-c3ccc(Cl)cc3)s2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000108250486 571422929 /nfs/dbraw/zinc/42/29/29/571422929.db2.gz QVWMRSITEFAUDV-NRFANRHFSA-N -1 0 524.831 6.221 50 30 KKEARM CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000108450397 571425146 /nfs/dbraw/zinc/42/51/46/571425146.db2.gz UKCODXSOGCMAQW-DEOSSOPVSA-N -1 0 560.643 7.011 50 30 biogenic KKEARM O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000108490856 571426023 /nfs/dbraw/zinc/42/60/23/571426023.db2.gz WRZPTNITMAHYLD-QFIPXVFZSA-N -1 0 552.033 5.380 50 30 KKEARM CC(C)CC(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000150339216 571457351 /nfs/dbraw/zinc/45/73/51/571457351.db2.gz DABQNXPVTHIRRK-YTTGMZPUSA-N -1 0 680.798 7.172 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344391 571459267 /nfs/dbraw/zinc/45/92/67/571459267.db2.gz HPNULWLLEOKCID-MDZRLIFHSA-N -1 0 662.089 6.781 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344388 571459320 /nfs/dbraw/zinc/45/93/20/571459320.db2.gz HPNULWLLEOKCID-PGIPBFRLSA-N -1 0 662.089 6.781 50 30 KKEARM CCCCCCCCCCCCSC(=S)S[C@H](C)C(=O)Oc1cc(OC(=O)[C@H](C)SC(=S)SCCCCCCCCCCCC)cc(C(=O)[O-])c1 ZINC000150369171 571465513 /nfs/dbraw/zinc/46/55/13/571465513.db2.gz GOLRGLNMILBFFI-QRRGNZNSSA-N -1 0 819.321 13.317 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)[O-])cc1NC(=O)C1=CC(=NNc2cc(OC)c(O)cc2Cl)c2ccccc2C1=O ZINC000150398269 571477226 /nfs/dbraw/zinc/47/72/26/571477226.db2.gz GDFYHMMINSGYES-CPHIHMHPSA-N -1 0 809.470 12.525 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417259 571486130 /nfs/dbraw/zinc/48/61/30/571486130.db2.gz QXIKCNIHSRXFPB-TXTDGAROSA-N -1 0 645.759 6.334 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422214 571488246 /nfs/dbraw/zinc/48/82/46/571488246.db2.gz VVFUEDKKESHPCC-RIEKNRFYSA-N -1 0 689.831 7.743 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424939 571489579 /nfs/dbraw/zinc/48/95/79/571489579.db2.gz DLLDVSBPYIPKPC-UWUYKNAISA-N -1 0 721.901 8.757 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432519 571494369 /nfs/dbraw/zinc/49/43/69/571494369.db2.gz OHEMJFYLQYJWQJ-QHCPKHFHSA-N -1 0 628.040 5.035 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435479 571495449 /nfs/dbraw/zinc/49/54/49/571495449.db2.gz WCLVVDIDEIZFQI-UTNKIGIFSA-N -1 0 705.858 8.066 50 30 KKEARM C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000150438402 571497108 /nfs/dbraw/zinc/49/71/08/571497108.db2.gz YLDVOSILLCGEII-UHFFFAOYSA-N -1 0 695.263 6.773 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150441793 571498649 /nfs/dbraw/zinc/49/86/49/571498649.db2.gz HIQIBUARVMFXSE-RIEKNRFYSA-N -1 0 682.223 8.013 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445084 571500121 /nfs/dbraw/zinc/50/01/21/571500121.db2.gz YYWQOSSROGXSSI-ZSTRNPGISA-N -1 0 639.129 7.487 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445575 571500589 /nfs/dbraw/zinc/50/05/89/571500589.db2.gz LAAMMYNYDCEMFW-DNNDWWBDSA-N -1 0 662.233 8.003 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445788 571500592 /nfs/dbraw/zinc/50/05/92/571500592.db2.gz JETAQCNSEVDWLS-QJGFIUGVSA-N -1 0 662.233 7.858 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446813 571501140 /nfs/dbraw/zinc/50/11/40/571501140.db2.gz KHBYPCXXTNRGHC-VMFRQMAUSA-N -1 0 648.206 7.612 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150451022 571502747 /nfs/dbraw/zinc/50/27/47/571502747.db2.gz ZCRUSCGXIHJYEY-ZORLYMSLSA-N -1 0 646.721 7.544 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453773 571503797 /nfs/dbraw/zinc/50/37/97/571503797.db2.gz PFKKDRXKPJAABF-ANCNPBKRSA-N -1 0 637.508 6.121 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150455057 571504330 /nfs/dbraw/zinc/50/43/30/571504330.db2.gz YFJTYLYNZIFHPX-ZORLYMSLSA-N -1 0 636.682 6.290 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457449 571504884 /nfs/dbraw/zinc/50/48/84/571504884.db2.gz VNVYFURFWXKENR-ANBMCXBTSA-N -1 0 677.848 8.358 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457540 571505017 /nfs/dbraw/zinc/50/50/17/571505017.db2.gz ZXSIOKUULPFQPW-UZGIXAGNSA-N -1 0 675.804 7.497 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458722 571505499 /nfs/dbraw/zinc/50/54/99/571505499.db2.gz CSMVLPGZCSFUOR-RWMNMRIUSA-N -1 0 655.798 7.052 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150459267 571505696 /nfs/dbraw/zinc/50/56/96/571505696.db2.gz YBMJJZDVKGQPTH-ZHHPLPSFSA-N -1 0 625.453 5.179 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460569 571506227 /nfs/dbraw/zinc/50/62/27/571506227.db2.gz OGZWQOFRWNQHLP-RIEKNRFYSA-N -1 0 689.831 7.887 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150461038 571506382 /nfs/dbraw/zinc/50/63/82/571506382.db2.gz DYYSCCKMEOSIMP-NBXYUPGTSA-N -1 0 649.794 7.722 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462808 571506757 /nfs/dbraw/zinc/50/67/57/571506757.db2.gz MVXUFUWGMRNRTA-GYBOJBDRSA-N -1 0 671.841 7.748 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463204 571506898 /nfs/dbraw/zinc/50/68/98/571506898.db2.gz RFPIPEUKSBZXFL-FCLPXNLHSA-N -1 0 641.815 7.658 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150463102 571507027 /nfs/dbraw/zinc/50/70/27/571507027.db2.gz VNPUIRGWYUCACF-MIOXIQPJSA-N -1 0 670.740 6.334 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463645 571507185 /nfs/dbraw/zinc/50/71/85/571507185.db2.gz JURGPKJLMVEWAT-FZIYRNTBSA-N -1 0 634.179 7.222 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463518 571507190 /nfs/dbraw/zinc/50/71/90/571507190.db2.gz KLHFHAIGLXADFB-QJGFIUGVSA-N -1 0 645.778 7.344 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463407 571507228 /nfs/dbraw/zinc/50/72/28/571507228.db2.gz NAZIKHTWASDAMV-VIDUVWHZSA-N -1 0 685.868 8.056 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463360 571507291 /nfs/dbraw/zinc/50/72/91/571507291.db2.gz ZZKHMJFNQCFEHC-NBXYUPGTSA-N -1 0 647.778 7.498 50 30 KKEARM O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccccc2Cl)cc2c1-c1c(cc(S(=O)(=O)Oc3ccccc3Cl)cc1[N+](=O)[O-])C2=N[O-] ZINC000150463873 571507455 /nfs/dbraw/zinc/50/74/55/571507455.db2.gz BUTYHQRRBBNPFK-UHFFFAOYSA-N -1 0 666.429 5.552 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150468002 571508275 /nfs/dbraw/zinc/50/82/75/571508275.db2.gz XAOSUQCKQWYDON-SZYGQJGOSA-N -1 0 679.820 7.950 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469627 571508732 /nfs/dbraw/zinc/50/87/32/571508732.db2.gz YZGVDIIXQZDQFR-LHKMDIPOSA-N -1 0 676.216 7.397 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150474505 571510540 /nfs/dbraw/zinc/51/05/40/571510540.db2.gz RIFRTGGQCDRODE-QMMFTLRZSA-N -1 0 691.803 7.335 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150475680 571510698 /nfs/dbraw/zinc/51/06/98/571510698.db2.gz WCWFRLJDUFKFJF-TXTDGAROSA-N -1 0 663.749 6.555 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480491 571512092 /nfs/dbraw/zinc/51/20/92/571512092.db2.gz MEKQRJRHOSKDAK-UUALVTFQSA-N -1 0 684.623 7.714 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150481370 571512607 /nfs/dbraw/zinc/51/26/07/571512607.db2.gz IKCPSXMSZSRKNV-OFNYXUPYSA-N -1 0 668.624 7.876 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000150482760 571513461 /nfs/dbraw/zinc/51/34/61/571513461.db2.gz KUBGYVYEIYHQKD-NDEPHWFRSA-N -1 0 644.149 8.507 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000150485477 571515914 /nfs/dbraw/zinc/51/59/14/571515914.db2.gz OGWJJCRSRVDVRV-UMSFTDKQSA-N -1 0 738.916 9.777 50 30 KKEARM COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc1 ZINC000263586750 572124663 /nfs/dbraw/zinc/12/46/63/572124663.db2.gz XOKKDHGZTNUGBP-RWFYVVHNSA-N -1 0 536.492 5.489 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1 ZINC000252460119 572261197 /nfs/dbraw/zinc/26/11/97/572261197.db2.gz BUXHDBBQPMJWSH-UHFFFAOYSA-N -1 0 540.605 5.871 50 30 KKEARM Cc1cccc(N=Nc2c(=O)n(-c3nc(-c4ccc(Br)cc4)cs3)[n-]c2-c2ccccc2)c1C ZINC000252461894 572261322 /nfs/dbraw/zinc/26/13/22/572261322.db2.gz NYEOGRULWNYMNX-UHFFFAOYSA-N -1 0 530.451 6.408 50 30 KKEARM O=c1c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000252506797 572261923 /nfs/dbraw/zinc/26/19/23/572261923.db2.gz VELQTEBILFDDQX-UHFFFAOYSA-N -1 0 502.943 5.591 50 30 KKEARM [O-]c1c(I)cc(Br)cc1C=Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000252590566 572266691 /nfs/dbraw/zinc/26/66/91/572266691.db2.gz ATHYPUWXWYTCPA-UHFFFAOYSA-N -1 0 520.124 5.713 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000252609038 572268080 /nfs/dbraw/zinc/26/80/80/572268080.db2.gz HPOHKGREBAHZOG-QMIJHUCNSA-N -1 0 571.655 5.884 50 30 KKEARM CCc1ccccc1N=C1S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C(=O)N1c1ccccc1CC ZINC000252608346 572268087 /nfs/dbraw/zinc/26/80/87/572268087.db2.gz HJOPELPTFKOEBD-CQQVBEJESA-N -1 0 565.489 6.846 50 30 KKEARM COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000252614678 572268529 /nfs/dbraw/zinc/26/85/29/572268529.db2.gz JLTJOIUHMCPCTK-TYBCPOKZSA-N -1 0 536.609 6.781 50 30 KKEARM COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1[O-] ZINC000252616814 572268866 /nfs/dbraw/zinc/26/88/66/572268866.db2.gz KFXPFSVXUCWTDI-UHFFFAOYSA-N -1 0 549.708 6.126 50 30 KKEARM COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(I)cc(I)c1[O-] ZINC000252619944 572269247 /nfs/dbraw/zinc/26/92/47/572269247.db2.gz LUTCRDGVHQFXAL-UHFFFAOYSA-N -1 0 610.189 6.477 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000252622267 572269747 /nfs/dbraw/zinc/26/97/47/572269747.db2.gz NRKSYVFQMIOKBW-UHFFFAOYSA-N -1 0 508.869 5.581 50 30 KKEARM Cc1ccccc1N=C1S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C(=O)N1c1ccccc1C ZINC000252622970 572269823 /nfs/dbraw/zinc/26/98/23/572269823.db2.gz OGUYPIFCAPACPI-MTSLIZRNSA-N -1 0 537.435 6.338 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1 ZINC000252628586 572270909 /nfs/dbraw/zinc/27/09/09/572270909.db2.gz STLUUCMUYVDUGI-UHFFFAOYSA-N -1 0 562.054 6.914 50 30 KKEARM Cc1ccc(-c2nc3cc(N=Cc4cc(I)cc(I)c4[O-])ccc3o2)cc1 ZINC000252629778 572271200 /nfs/dbraw/zinc/27/12/00/572271200.db2.gz UNNMNLMHDUIGJS-UHFFFAOYSA-N -1 0 580.163 6.469 50 30 KKEARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O ZINC000252629881 572271258 /nfs/dbraw/zinc/27/12/58/572271258.db2.gz UPJWBCCGZYEWRF-UDYULTBOSA-N -1 0 509.381 5.721 50 30 KKEARM CCc1ccccc1N=C1S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000252630132 572271287 /nfs/dbraw/zinc/27/12/87/572271287.db2.gz UVFKTWWAIZOZPL-NWEZUEQQSA-N -1 0 537.479 7.097 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CC(C)C)cc1 ZINC000252631349 572271430 /nfs/dbraw/zinc/27/14/30/572271430.db2.gz VJUSJIYTGAZNME-RELFFPTMSA-N -1 0 510.999 6.567 50 30 KKEARM Cc1ccc2oc(-c3ccc(N=Cc4cc(I)cc(I)c4[O-])c(C)c3)nc2c1 ZINC000252630516 572271453 /nfs/dbraw/zinc/27/14/53/572271453.db2.gz VBFDHLSBVRDRGW-UHFFFAOYSA-N -1 0 594.190 6.777 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000252637114 572271981 /nfs/dbraw/zinc/27/19/81/572271981.db2.gz XPBLLSRXVRWBNT-QHYBLASRSA-N -1 0 683.351 7.508 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000252695052 572281834 /nfs/dbraw/zinc/28/18/34/572281834.db2.gz UERBGZSPLHPNNH-QAIAZXESSA-N -1 0 521.654 5.225 50 30 KKEARM COc1ccc([C@H](CNC(C)=C2C(=O)C=C3Oc4c(c([O-])c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000253406211 572286203 /nfs/dbraw/zinc/28/62/03/572286203.db2.gz ITYYJQRGOHGCIZ-MYLKVJTCSA-N -1 0 606.675 5.789 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](c3ccco3)c3ccc(C)cc3)C1=O)O2 ZINC000253412824 572288246 /nfs/dbraw/zinc/28/82/46/572288246.db2.gz SDLYPVSSERQCAJ-RUEZCYJKSA-N -1 0 541.600 5.282 50 30 KKEARM O=C([O-])C[C@@H](c1cccc(OCc2ccccn2)c1)c1c2c(ccc1O)C(=O)/C(=C/c1cc(F)c(F)c(F)c1)O2 ZINC000253415185 572289115 /nfs/dbraw/zinc/28/91/15/572289115.db2.gz ZXRGSNGFAOIGPQ-WHSZKSQWSA-N -1 0 547.485 6.006 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253498942 572292984 /nfs/dbraw/zinc/29/29/84/572292984.db2.gz BCBXQCAEFQEDQZ-ZBOJRWGSSA-N -1 0 584.838 7.984 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253503088 572295831 /nfs/dbraw/zinc/29/58/31/572295831.db2.gz DUFLDRKJKWPJLH-CWGNWBIHSA-N -1 0 570.771 5.692 50 30 KKEARM COC(=O)[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253504154 572296457 /nfs/dbraw/zinc/29/64/57/572296457.db2.gz QEJFEIOBCOMMKR-FRYNULMZSA-N -1 0 609.720 5.041 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253504268 572296560 /nfs/dbraw/zinc/29/65/60/572296560.db2.gz BCBXQCAEFQEDQZ-HCDRYLODSA-N -1 0 584.838 7.984 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505572 572297059 /nfs/dbraw/zinc/29/70/59/572297059.db2.gz LDEPIPTXRUTPCM-BDHMOJIJSA-N -1 0 559.707 5.142 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533122 572299210 /nfs/dbraw/zinc/29/92/10/572299210.db2.gz APYIVIUDKTVWSJ-HHTGTTPNSA-N -1 0 548.724 5.902 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533710 572299551 /nfs/dbraw/zinc/29/95/51/572299551.db2.gz QEJFEIOBCOMMKR-PHGKJRHBSA-N -1 0 609.720 5.041 50 30 KKEARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534090 572299775 /nfs/dbraw/zinc/29/97/75/572299775.db2.gz YWLYGSSMGSIXLN-SBWTXDEHSA-N -1 0 670.851 5.120 50 30 KKEARM CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O-])OC[C@@H](O)CO ZINC000102191090 1069701304 /nfs/dbraw/zinc/70/13/04/1069701304.db2.gz CATKZNHUBTWOSQ-URLMMPGGSA-N -1 0 624.793 7.160 50 30 KKEARM CC/C(C[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])c2ccccc2oc1=O)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102442680 1069857799 /nfs/dbraw/zinc/85/77/99/1069857799.db2.gz NHFVZKUTQCTNNP-CSWGWEJPSA-N -1 0 547.480 5.623 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C(=O)c1ccc2ccccc2c1O)c1cccc(C(=O)[O-])c1 ZINC000103001657 1070932383 /nfs/dbraw/zinc/93/23/83/1070932383.db2.gz KKCWFAKLNYKZEC-UHFFFAOYSA-N -1 0 559.791 10.152 50 30 KKEARM COc1ccc(C(=O)c2oc3cc(NC(C)=C4C(=O)C=C5Oc6c(c([O-])c(C)c(O)c6C(C)=O)[C@@]5(C)C4=O)ccc3c2C)cc1 ZINC000824651643 1071284533 /nfs/dbraw/zinc/28/45/33/1071284533.db2.gz KIXJXEICLILJMF-DAMMQNOWSA-N -1 0 607.615 5.975 50 30 KKEARM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2[N+](=O)[O-])cc1 ZINC000254712349 1072872398 /nfs/dbraw/zinc/87/23/98/1072872398.db2.gz BRHVZMFOLRATTM-UHFFFAOYSA-N -1 0 559.648 5.877 50 30 KKEARM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000254745734 1072875465 /nfs/dbraw/zinc/87/54/65/1072875465.db2.gz WRCKPAKJJZMRMZ-PCSBDKELSA-N -1 0 526.018 5.758 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OC(F)F)cc2OC(F)F)c(C)c1 ZINC000254789350 1072878886 /nfs/dbraw/zinc/87/88/86/1072878886.db2.gz ORKIOBQEWYNEQS-UHFFFAOYSA-N -1 0 556.494 5.661 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000254837158 1072883221 /nfs/dbraw/zinc/88/32/21/1072883221.db2.gz QEYUAMOEHCQAOC-UHFFFAOYSA-N -1 0 504.515 5.450 50 30 KKEARM CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)[O-])C4=O)C3=O ZINC000147882751 1072901521 /nfs/dbraw/zinc/90/15/21/1072901521.db2.gz GEZHEQNLKAOMCA-YKALZJHMSA-N -1 0 628.762 7.239 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533211 195477253 /nfs/dbraw/zinc/47/72/53/195477253.db2.gz CYWWELYHCZFKIG-JCJXIXMSSA-N -1 0 534.697 5.339 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533465 195477736 /nfs/dbraw/zinc/47/77/36/195477736.db2.gz LDEPIPTXRUTPCM-LSYZOWIDSA-N -1 0 559.707 5.142 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000000631116 551505114 /nfs/dbraw/zinc/50/51/14/551505114.db2.gz JNJDDYHUCHZFGS-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000000718142 551535174 /nfs/dbraw/zinc/53/51/74/551535174.db2.gz SWQHCHPDOJCYLR-ICACTRECSA-N -1 0 540.635 6.889 50 30 KKEARM N#C[C@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2ncc(-c3ccccc3)s2)c1=O)c1ccc(Br)cc1 ZINC000000827887 551545542 /nfs/dbraw/zinc/54/55/42/551545542.db2.gz WDJJNDKORIKLCU-JTHBVZDNSA-N -1 0 570.472 5.888 50 30 KKEARM CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077253 551604559 /nfs/dbraw/zinc/60/45/59/551604559.db2.gz YPGWWTUKKRPLAV-UULLZXFKSA-N -1 0 531.565 5.696 50 30 KKEARM CN(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3)C2)cc1 ZINC000001245172 551631578 /nfs/dbraw/zinc/63/15/78/551631578.db2.gz SBCDDAWGPSWJFK-UVDDSOTQSA-N -1 0 509.606 5.518 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001306045 551639020 /nfs/dbraw/zinc/63/90/20/551639020.db2.gz KLSJULGXXAIOPT-IANOAQMISA-N -1 0 580.681 6.536 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437515 551671384 /nfs/dbraw/zinc/67/13/84/551671384.db2.gz UVNNOHLJUICXHP-HJWYETAXSA-N -1 0 561.591 5.704 50 30 KKEARM COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437521 551671393 /nfs/dbraw/zinc/67/13/93/551671393.db2.gz DJYXDWKMHGDAOI-QZXCRCNTSA-N -1 0 547.564 5.314 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437517 551671435 /nfs/dbraw/zinc/67/14/35/551671435.db2.gz UVNNOHLJUICXHP-OLRZCDJHSA-N -1 0 561.591 5.704 50 30 KKEARM COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437522 551671494 /nfs/dbraw/zinc/67/14/94/551671494.db2.gz DJYXDWKMHGDAOI-KUNJGFBQSA-N -1 0 547.564 5.314 50 30 KKEARM COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000001438540 551671949 /nfs/dbraw/zinc/67/19/49/551671949.db2.gz LGVMKRCPRKZIIN-SOKVYYICSA-N -1 0 548.592 5.165 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1cccs1 ZINC000001449869 551674833 /nfs/dbraw/zinc/67/48/33/551674833.db2.gz VBQRFRJISHYYBB-SFHVURJKSA-N -1 0 515.385 6.042 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001449854 551674916 /nfs/dbraw/zinc/67/49/16/551674916.db2.gz JNSHSSVTYXAXQS-OAQYLSRUSA-N -1 0 539.407 6.142 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001450205 551675218 /nfs/dbraw/zinc/67/52/18/551675218.db2.gz NUHUEVJOHNARNX-QFIPXVFZSA-N -1 0 536.562 5.097 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001451687 551676429 /nfs/dbraw/zinc/67/64/29/551676429.db2.gz XADQUDKOVRVWSH-XMMPIXPASA-N -1 0 564.591 5.643 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccccc2Cl)cc1 ZINC000001456617 551676648 /nfs/dbraw/zinc/67/66/48/551676648.db2.gz CSVQAFGOAYSLOG-QTEAWJPNSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccccc2Cl)cc1 ZINC000001456616 551676693 /nfs/dbraw/zinc/67/66/93/551676693.db2.gz CSVQAFGOAYSLOG-WWOZWPLTSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1 ZINC000001457557 551677043 /nfs/dbraw/zinc/67/70/43/551677043.db2.gz MLQHAYFWNWAGKS-SLQAJWMNSA-N -1 0 516.619 5.831 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457449 551677068 /nfs/dbraw/zinc/67/70/68/551677068.db2.gz NAJLOJRYHLGAOI-SLGOVJDISA-N -1 0 538.600 5.547 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457452 551677096 /nfs/dbraw/zinc/67/70/96/551677096.db2.gz ZXKSBUMYDADIME-OHWKKVTOSA-N -1 0 582.697 6.767 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457454 551677107 /nfs/dbraw/zinc/67/71/07/551677107.db2.gz ZXKSBUMYDADIME-HUBRWUETSA-N -1 0 582.697 6.767 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000001480015 551681574 /nfs/dbraw/zinc/68/15/74/551681574.db2.gz AIYJTABEGJEOSG-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480820 551681902 /nfs/dbraw/zinc/68/19/02/551681902.db2.gz ASWQAJODNHYRLG-QHCPKHFHSA-N -1 0 550.589 5.405 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480888 551682196 /nfs/dbraw/zinc/68/21/96/551682196.db2.gz AGQTUPPSZHSHEG-FQEVSTJZSA-N -1 0 541.448 6.302 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000001480869 551682313 /nfs/dbraw/zinc/68/23/13/551682313.db2.gz UJXHWGZSQQIENN-XMMPIXPASA-N -1 0 534.565 5.634 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000001760618 551694337 /nfs/dbraw/zinc/69/43/37/551694337.db2.gz ZVUHCOKFHBCPEZ-FQEVSTJZSA-N -1 0 526.343 5.426 50 30 KKEARM O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c([O-])c([N+](=O)[O-])c1 ZINC000001882902 551724613 /nfs/dbraw/zinc/72/46/13/551724613.db2.gz XKNVDRMNDGYYEI-NUGSKGIGSA-N -1 0 564.679 6.025 50 30 KKEARM COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000001904972 551731897 /nfs/dbraw/zinc/73/18/97/551731897.db2.gz ORHXVGUGODXUQC-FYJGNVAPSA-N -1 0 516.648 5.586 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000002059614 551741447 /nfs/dbraw/zinc/74/14/47/551741447.db2.gz XFOQHMCRLULUER-RUZDIDTESA-N -1 0 566.484 7.235 50 30 KKEARM C#CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002128016 551772270 /nfs/dbraw/zinc/77/22/70/551772270.db2.gz BGZZZTODHDSDGB-UHFFFAOYSA-N -1 0 540.056 5.521 50 30 KKEARM N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1OCC(F)(F)F ZINC000002144434 551775571 /nfs/dbraw/zinc/77/55/71/551775571.db2.gz UMNIJNZIDVGENH-UHFFFAOYSA-N -1 0 522.345 5.260 50 30 KKEARM NC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002153583 551779374 /nfs/dbraw/zinc/77/93/74/551779374.db2.gz BQRXHBPGXMGGKY-UHFFFAOYSA-N -1 0 512.428 5.492 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1cccc([N+](=O)[O-])c1 ZINC000002176728 551783452 /nfs/dbraw/zinc/78/34/52/551783452.db2.gz ONYHOYRHUCHIGR-FOKLQQMPSA-N -1 0 509.525 5.300 50 30 KKEARM CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002281073 552086933 /nfs/dbraw/zinc/08/69/33/552086933.db2.gz GRMBBNFBNFQIBR-YSURURNPSA-N -1 0 523.246 6.881 50 30 KKEARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C2=O)cc1 ZINC000002295717 552089199 /nfs/dbraw/zinc/08/91/99/552089199.db2.gz IHRIAZBXICZFIH-HYARGMPZSA-N -1 0 514.607 5.176 50 30 KKEARM CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002311738 552090954 /nfs/dbraw/zinc/09/09/54/552090954.db2.gz WUGRYQHRBIXNDR-AUEPDCJTSA-N -1 0 509.219 6.573 50 30 KKEARM O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002679351 552154506 /nfs/dbraw/zinc/15/45/06/552154506.db2.gz MYVLBVBZSDUWLA-LIMNOBDPSA-N -1 0 505.191 5.238 50 30 KKEARM O=C([N-]S(=O)(=O)c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1)c1ccccc1 ZINC000002856049 552202478 /nfs/dbraw/zinc/20/24/78/552202478.db2.gz NDALNADROYDOFX-UHFFFAOYSA-N -1 0 524.849 5.605 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1[O-] ZINC000003113151 552289895 /nfs/dbraw/zinc/28/98/95/552289895.db2.gz JYNNVRAUYMMTPO-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM [O-]c1c(Br)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(O)c1Br ZINC000003115214 552290358 /nfs/dbraw/zinc/29/03/58/552290358.db2.gz OWFYAYPHPMBUAK-ZNLRHDTNSA-N -1 0 557.025 7.488 50 30 KKEARM CCOC(=O)c1c(/N=C/c2c(OC(=O)c3ccccc3C(=O)[O-])ccc3ccccc32)sc2c1CCCC2 ZINC000003169312 552298818 /nfs/dbraw/zinc/29/88/18/552298818.db2.gz FKJFHRWQYRJCOA-KBVAKVRCSA-N -1 0 527.598 6.625 50 30 KKEARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3sc4c(c3C#N)CCCCC4)c2)cc1Cl ZINC000003311042 552351941 /nfs/dbraw/zinc/35/19/41/552351941.db2.gz OMXLQRJNBQLQBD-UHFFFAOYSA-N -1 0 560.097 5.921 50 30 KKEARM O=C(N=S(=O)([O-])c1ccc(OC(F)(F)F)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003624363 552395097 /nfs/dbraw/zinc/39/50/97/552395097.db2.gz YEJYXOZQOMNQEX-UHFFFAOYSA-N -1 0 512.318 5.730 50 30 KKEARM CCCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000003626833 552395786 /nfs/dbraw/zinc/39/57/86/552395786.db2.gz PUOXTDWRSJXVLE-UHFFFAOYSA-N -1 0 534.480 6.552 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(Br)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000003635433 552399104 /nfs/dbraw/zinc/39/91/04/552399104.db2.gz GSWQQRNUOLNPDL-UHFFFAOYSA-N -1 0 523.379 5.854 50 30 KKEARM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)c(C)c1 ZINC000003663345 552407843 /nfs/dbraw/zinc/40/78/43/552407843.db2.gz INQCKSRSHBBYEW-LKHGECOASA-N -1 0 544.529 8.104 50 30 KKEARM Cc1cccc(N=C2C(=O)N(CCCCCC(=O)[O-])[C@@H](c3ccc(F)cc3)C2C(=O)c2ccc(Cl)cc2)c1 ZINC000003671931 552412497 /nfs/dbraw/zinc/41/24/97/552412497.db2.gz XDCFFJPBQMJARW-NDEPHWFRSA-N -1 0 535.015 6.565 50 30 KKEARM O=c1sc2ccccc2c([O-])c1[C@H](CC(=NNc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000004017652 552428653 /nfs/dbraw/zinc/42/86/53/552428653.db2.gz ZJRKWEFHLSKNRW-OUWJVFIXSA-N -1 0 631.595 9.435 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004290266 552456504 /nfs/dbraw/zinc/45/65/04/552456504.db2.gz WQFWQSVQWDISCX-AERZKKPOSA-N -1 0 522.049 6.794 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000004440840 552461309 /nfs/dbraw/zinc/46/13/09/552461309.db2.gz GBMQXGQQFNIFSB-UHFFFAOYSA-N -1 0 592.530 6.798 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000004480234 552461698 /nfs/dbraw/zinc/46/16/98/552461698.db2.gz ODEXETOHPSPAOB-VVEOGCPPSA-N -1 0 526.927 6.841 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000005355174 552498600 /nfs/dbraw/zinc/49/86/00/552498600.db2.gz XMASRHZDIGOMCJ-HSZRJFAPSA-N -1 0 566.632 5.135 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000005355568 552498930 /nfs/dbraw/zinc/49/89/30/552498930.db2.gz ZJMNTAIQMFXJSG-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000005357139 552499358 /nfs/dbraw/zinc/49/93/58/552499358.db2.gz VCTUIZWVNCAULB-FQEVSTJZSA-N -1 0 526.998 5.382 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000005357235 552499669 /nfs/dbraw/zinc/49/96/69/552499669.db2.gz AECKIEFARABMBS-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005402243 552501446 /nfs/dbraw/zinc/50/14/46/552501446.db2.gz YQOVPJKTNVAUMQ-AREMUKBSSA-N -1 0 603.678 6.099 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000005402301 552501492 /nfs/dbraw/zinc/50/14/92/552501492.db2.gz NCTQHJXXJHVCMG-AREMUKBSSA-N -1 0 617.705 6.273 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)[C@](O)(CC(=O)c3ccccc3)N2c2ccc(OC)cc2)cc1 ZINC000005544651 552504593 /nfs/dbraw/zinc/50/45/93/552504593.db2.gz IMKRISCWILHDNH-BZKUTMRRSA-N -1 0 535.596 5.922 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000005919038 552512222 /nfs/dbraw/zinc/51/22/22/552512222.db2.gz NZALVCDJDBPPDU-HSZRJFAPSA-N -1 0 550.608 5.814 50 30 KKEARM Cc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3[O-])nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000006245513 552574144 /nfs/dbraw/zinc/57/41/44/552574144.db2.gz ULBZEZLGPGBMGB-NDZAJKAJSA-N -1 0 538.612 5.443 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000006279742 552575792 /nfs/dbraw/zinc/57/57/92/552575792.db2.gz QUTURZRMMJZCGE-JOCHJYFZSA-N -1 0 562.338 6.268 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1O ZINC000008383344 552986178 /nfs/dbraw/zinc/98/61/78/552986178.db2.gz LGHDLELDAYNHID-XMMPIXPASA-N -1 0 589.626 6.213 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1O ZINC000008383347 552986219 /nfs/dbraw/zinc/98/62/19/552986219.db2.gz LGHDLELDAYNHID-DEOSSOPVSA-N -1 0 589.626 6.213 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383378 552986538 /nfs/dbraw/zinc/98/65/38/552986538.db2.gz UPNAIHXJKPBLJG-QHCPKHFHSA-N -1 0 559.600 6.204 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383405 552986602 /nfs/dbraw/zinc/98/66/02/552986602.db2.gz AFJDHUDRDUPQTC-OAQYLSRUSA-N -1 0 566.085 7.074 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383425 552986615 /nfs/dbraw/zinc/98/66/15/552986615.db2.gz IAWGWGDLNACLOJ-VWLOTQADSA-N -1 0 588.110 7.575 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000008383398 552986621 /nfs/dbraw/zinc/98/66/21/552986621.db2.gz PWBIHXULNGABPN-MUUNZHRXSA-N -1 0 646.190 8.582 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1O ZINC000008383466 552986723 /nfs/dbraw/zinc/98/67/23/552986723.db2.gz LFQNVNJPIDUGLU-VWLOTQADSA-N -1 0 603.653 6.603 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2ccc(F)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383452 552986739 /nfs/dbraw/zinc/98/67/39/552986739.db2.gz AVCHRQOFWPXPMT-HSZRJFAPSA-N -1 0 561.591 6.638 50 30 KKEARM CN(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383486 552986776 /nfs/dbraw/zinc/98/67/76/552986776.db2.gz QBCSYXCOUMFUIC-VWLOTQADSA-N -1 0 586.670 6.565 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000008383966 552988244 /nfs/dbraw/zinc/98/82/44/552988244.db2.gz VNIARWQECZNNRQ-VHOCVAHHSA-N -1 0 589.467 7.124 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1O ZINC000008383981 552988316 /nfs/dbraw/zinc/98/83/16/552988316.db2.gz MXHGOAZWYOSURR-SANMLTNESA-N -1 0 599.690 6.772 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(O)c3)s2)cc1 ZINC000008384044 552988681 /nfs/dbraw/zinc/98/86/81/552988681.db2.gz RFLJRQXHFYXVEB-DEOSSOPVSA-N -1 0 555.637 6.374 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008384058 552988718 /nfs/dbraw/zinc/98/87/18/552988718.db2.gz QNERLTIGPVOALI-QHCPKHFHSA-N -1 0 628.946 8.320 50 30 KKEARM COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(I)cc(I)c1[O-] ZINC000008386346 552992001 /nfs/dbraw/zinc/99/20/01/552992001.db2.gz LUTCRDGVHQFXAL-OPEKNORGSA-N -1 0 610.189 6.477 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000008397578 552996966 /nfs/dbraw/zinc/99/69/66/552996966.db2.gz HYXNPONUMTVHRR-WMMMYUQOSA-N -1 0 567.414 6.253 50 30 KKEARM CCOc1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccc(OC)cc3)cs2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000008397596 552996993 /nfs/dbraw/zinc/99/69/93/552996993.db2.gz ILVKPYVTLATOAX-QCWLDUFUSA-N -1 0 542.577 5.345 50 30 KKEARM O=C([N-]C1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008399445 553001310 /nfs/dbraw/zinc/00/13/10/553001310.db2.gz GXUMHLXSOXUTJJ-UHFFFAOYSA-N -1 0 513.216 5.757 50 30 KKEARM COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3s2)cc1 ZINC000008405333 553007023 /nfs/dbraw/zinc/00/70/23/553007023.db2.gz QJSFQZUJHIHDEL-LUOAPIJWSA-N -1 0 729.359 6.479 50 30 KKEARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC#N ZINC000008432753 553027151 /nfs/dbraw/zinc/02/71/51/553027151.db2.gz VHJHWUQVPWFFDC-MSXFZWOLSA-N -1 0 604.501 5.884 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000008433270 553028521 /nfs/dbraw/zinc/02/85/21/553028521.db2.gz HXSACJMVJZYFNY-QHCPKHFHSA-N -1 0 550.633 5.517 50 30 KKEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000008435486 553030566 /nfs/dbraw/zinc/03/05/66/553030566.db2.gz KUVBXEYFRCPMFT-FOKLQQMPSA-N -1 0 515.263 5.472 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008437879 553032203 /nfs/dbraw/zinc/03/22/03/553032203.db2.gz CDJGGJCKKOKBTB-UHFFFAOYSA-N -1 0 612.550 7.351 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(OC)c1OC ZINC000008441153 553039738 /nfs/dbraw/zinc/03/97/38/553039738.db2.gz YWKCDKDJTNSEAW-QFIPXVFZSA-N -1 0 548.573 5.209 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441204 553039796 /nfs/dbraw/zinc/03/97/96/553039796.db2.gz GABZBWAMDYUSHL-HSZRJFAPSA-N -1 0 525.611 6.360 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441236 553040126 /nfs/dbraw/zinc/04/01/26/553040126.db2.gz GUMPOEGQJWQZCT-RUZDIDTESA-N -1 0 553.665 6.922 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008441690 553041448 /nfs/dbraw/zinc/04/14/48/553041448.db2.gz BGCIMKDXSUHNQJ-XMMPIXPASA-N -1 0 549.435 7.749 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000008441783 553042331 /nfs/dbraw/zinc/04/23/31/553042331.db2.gz ZGNHSNGTBBMWSE-GDLZYMKVSA-N -1 0 635.723 7.617 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000008445417 553054224 /nfs/dbraw/zinc/05/42/24/553054224.db2.gz GBHOPVROEOXQKI-AREMUKBSSA-N -1 0 513.491 5.103 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)c1 ZINC000008453785 553066975 /nfs/dbraw/zinc/06/69/75/553066975.db2.gz MYSXVDCJTYBESJ-RPPGKUMJSA-N -1 0 534.248 7.044 50 30 KKEARM CC[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000008454793 553069837 /nfs/dbraw/zinc/06/98/37/553069837.db2.gz GPWOOYKQSMIJBE-VIFPVBQESA-N -1 0 563.276 6.966 50 30 KKEARM Cc1cc(C)n(-c2nc(N=NCc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(Nc3ccc(Br)cc3)n2)n1 ZINC000008456360 553074456 /nfs/dbraw/zinc/07/44/56/553074456.db2.gz WTUGHCGIIXYSAD-YSURURNPSA-N -1 0 603.235 5.003 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCC(=O)[O-] ZINC000008461807 553075218 /nfs/dbraw/zinc/07/52/18/553075218.db2.gz JCOQKMDKONXDBI-UHFFFAOYSA-N -1 0 527.661 6.078 50 30 KKEARM Nc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=NC(=O)c2ccc(Cl)cc2)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000008694845 553120966 /nfs/dbraw/zinc/12/09/66/553120966.db2.gz FTFWIMJOCOCVQP-AICUOFBQSA-N -1 0 547.324 5.657 50 30 KKEARM CCCCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000008744280 553134176 /nfs/dbraw/zinc/13/41/76/553134176.db2.gz ZZGKMFCXVONBSK-WPWMEQJKSA-N -1 0 518.642 6.575 50 30 KKEARM COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC([O-])=CSc3nc4ccccc4s3)c[nH]c2c1 ZINC000008758369 553137040 /nfs/dbraw/zinc/13/70/40/553137040.db2.gz HOIDWIMLHFOEBG-UHFFFAOYSA-N -1 0 545.694 5.112 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008816709 553152021 /nfs/dbraw/zinc/15/20/21/553152021.db2.gz PVJZOHDHXORRNY-SFHVURJKSA-N -1 0 500.935 5.204 50 30 KKEARM Cc1ccccc1Nc1nc(N=NCc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008872106 553172201 /nfs/dbraw/zinc/17/22/01/553172201.db2.gz PWEIFUFWIFPELW-RPPGKUMJSA-N -1 0 614.258 6.252 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008872237 553172938 /nfs/dbraw/zinc/17/29/38/553172938.db2.gz MOQNLNTUPHYJHP-DHRITJCHSA-N -1 0 510.783 5.926 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=NN=c2nc(NCc3ccccc3)[nH]c(Nc3ccccc3)n2)c1 ZINC000008872900 553174259 /nfs/dbraw/zinc/17/42/59/553174259.db2.gz HEFGVQSIRRSNPK-VULFUBBASA-N -1 0 535.362 5.050 50 30 KKEARM CC1(C)Nc2ccccc2-c2c1ssc2=Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000008885084 553176111 /nfs/dbraw/zinc/17/61/11/553176111.db2.gz GVLROSPDKMUAQU-LCUIJRPUSA-N -1 0 507.662 6.063 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008987733 553196595 /nfs/dbraw/zinc/19/65/95/553196595.db2.gz NPVWKIQPMIWUTN-OAQYLSRUSA-N -1 0 505.508 5.288 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008987919 553196817 /nfs/dbraw/zinc/19/68/17/553196817.db2.gz CZBSWVLDYNGBSM-KRWDZBQOSA-N -1 0 503.363 5.328 50 30 KKEARM COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000009019171 553201012 /nfs/dbraw/zinc/20/10/12/553201012.db2.gz QOIIOCMGPOGDHM-WKRVVKTRSA-N -1 0 510.590 5.769 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009042302 553202631 /nfs/dbraw/zinc/20/26/31/553202631.db2.gz TZDHCVAYGOJTMK-HXUWFJFHSA-N -1 0 509.356 5.981 50 30 KKEARM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000009043512 553202919 /nfs/dbraw/zinc/20/29/19/553202919.db2.gz OIDYDUOSPYGNRL-HYARGMPZSA-N -1 0 514.676 6.140 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009043112 553202928 /nfs/dbraw/zinc/20/29/28/553202928.db2.gz ODGQKVIPKJACDS-QFIPXVFZSA-N -1 0 506.967 5.750 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc(OC)c1OC ZINC000009065015 553205793 /nfs/dbraw/zinc/20/57/93/553205793.db2.gz PXVNFMVAGFCRMK-OAQYLSRUSA-N -1 0 506.536 5.006 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4Cl)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009065489 553205917 /nfs/dbraw/zinc/20/59/17/553205917.db2.gz KTPAVFHNMSJOBP-KEEVHDRGSA-N -1 0 515.009 6.414 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000009069284 553206814 /nfs/dbraw/zinc/20/68/14/553206814.db2.gz SGHNRUDXDLERKT-LJQANCHMSA-N -1 0 513.344 5.882 50 30 KKEARM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009110857 553210058 /nfs/dbraw/zinc/21/00/58/553210058.db2.gz HDOFHGKQMCCXGV-NRFANRHFSA-N -1 0 509.312 5.149 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1 ZINC000009123825 553212578 /nfs/dbraw/zinc/21/25/78/553212578.db2.gz JEKRKRORVXBNSB-DEOSSOPVSA-N -1 0 513.575 5.222 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009177363 553216356 /nfs/dbraw/zinc/21/63/56/553216356.db2.gz MSOXDUTYDXVVOT-SFHVURJKSA-N -1 0 500.935 5.204 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009186692 553217596 /nfs/dbraw/zinc/21/75/96/553217596.db2.gz LPBRTDXWVWMSDL-OAQYLSRUSA-N -1 0 508.502 5.375 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000009235614 553225329 /nfs/dbraw/zinc/22/53/29/553225329.db2.gz NXTFVVMIBYMOJC-QFIPXVFZSA-N -1 0 501.520 5.386 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000009236869 553225855 /nfs/dbraw/zinc/22/58/55/553225855.db2.gz NTKGWCQYRFSESJ-JOCHJYFZSA-N -1 0 506.967 5.750 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000009240241 553226107 /nfs/dbraw/zinc/22/61/07/553226107.db2.gz JOONHZJWNDBXBR-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009243838 553227061 /nfs/dbraw/zinc/22/70/61/553227061.db2.gz LBRFWYAWVAFTCV-SANMLTNESA-N -1 0 514.509 5.493 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000009273062 553232070 /nfs/dbraw/zinc/23/20/70/553232070.db2.gz CHISPNVFNFSAPF-PRAQEBQASA-N -1 0 514.553 5.600 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009273060 553232098 /nfs/dbraw/zinc/23/20/98/553232098.db2.gz CHISPNVFNFSAPF-KEEVHDRGSA-N -1 0 514.553 5.600 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000009274772 553232635 /nfs/dbraw/zinc/23/26/35/553232635.db2.gz HYCCZEJCHMLZRF-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009280185 553233063 /nfs/dbraw/zinc/23/30/63/553233063.db2.gz MXFVZHLNHMYNNS-NRFANRHFSA-N -1 0 505.483 5.135 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009333864 553242886 /nfs/dbraw/zinc/24/28/86/553242886.db2.gz ZWEJXLHRCSCSDE-QHCPKHFHSA-N -1 0 506.530 6.146 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009357815 553247234 /nfs/dbraw/zinc/24/72/34/553247234.db2.gz PIQUVSOCKJPPCR-HSZRJFAPSA-N -1 0 513.468 5.514 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1cccs1 ZINC000009358076 553247252 /nfs/dbraw/zinc/24/72/52/553247252.db2.gz YHIDIAMJVYLXOV-LJQANCHMSA-N -1 0 507.618 5.380 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000009359575 553248262 /nfs/dbraw/zinc/24/82/62/553248262.db2.gz IBMJPWDUXCRDFQ-FQEVSTJZSA-N -1 0 502.832 6.050 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccco1 ZINC000009360628 553248680 /nfs/dbraw/zinc/24/86/80/553248680.db2.gz KBNISJHISPYFMC-LJQANCHMSA-N -1 0 509.540 5.051 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000009403673 553255426 /nfs/dbraw/zinc/25/54/26/553255426.db2.gz LIGUEBHFSASPQI-QKVFXAPYSA-N -1 0 509.008 6.118 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccccc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000009424972 553259002 /nfs/dbraw/zinc/25/90/02/553259002.db2.gz GXMFFIMINLHFOU-JOCHJYFZSA-N -1 0 504.951 5.504 50 30 KKEARM CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1C#N ZINC000009434637 553263983 /nfs/dbraw/zinc/26/39/83/553263983.db2.gz ZYQYOOUESJWXBG-CFRMEGHHSA-N -1 0 516.600 5.640 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(C)c(C)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000009594976 553283540 /nfs/dbraw/zinc/28/35/40/553283540.db2.gz UJPRMDDKUBATLD-NDEPHWFRSA-N -1 0 523.555 5.581 50 30 KKEARM CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009846420 553311840 /nfs/dbraw/zinc/31/18/40/553311840.db2.gz WIIIQXSHUCIJOF-DASRABTFSA-N -1 0 510.443 5.858 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3ccc(F)cc3)oc21 ZINC000012533333 553387394 /nfs/dbraw/zinc/38/73/94/553387394.db2.gz SMIIICNCQCBFIY-FQEVSTJZSA-N -1 0 506.511 5.331 50 30 KKEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000012954081 553429211 /nfs/dbraw/zinc/42/92/11/553429211.db2.gz OQMIHYDUJOYCLD-UHFFFAOYSA-N -1 0 506.535 5.091 50 30 KKEARM Cc1ccc2c(c1)N[C@H](c1cc(Br)c([O-])c(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000014007711 553499017 /nfs/dbraw/zinc/49/90/17/553499017.db2.gz VKFWVFPKJFLPAJ-HXUWFJFHSA-N -1 0 506.238 6.448 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3ccc(-c4ccc(C(=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000016675585 553571439 /nfs/dbraw/zinc/57/14/39/553571439.db2.gz PQBBXFKINPIYKQ-RHANQZHGSA-N -1 0 521.537 5.772 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(Br)cc2C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000020149850 553594593 /nfs/dbraw/zinc/59/45/93/553594593.db2.gz YVNQDXVBYAQSRL-UHFFFAOYSA-N -1 0 522.395 5.427 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000017862670 553600360 /nfs/dbraw/zinc/60/03/60/553600360.db2.gz NAJLOJRYHLGAOI-IPBJYNAHSA-N -1 0 538.600 5.547 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000018045470 553602184 /nfs/dbraw/zinc/60/21/84/553602184.db2.gz UKWMYKCAUUUUCA-QHCPKHFHSA-N -1 0 596.042 5.629 50 30 KKEARM CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000070673735 553603961 /nfs/dbraw/zinc/60/39/61/553603961.db2.gz XCWQBYPGBWDIQW-LUQMGZBRSA-N -1 0 598.696 6.647 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018198586 553609450 /nfs/dbraw/zinc/60/94/50/553609450.db2.gz DWAURIBQDLEZRT-WXTAPIANSA-N -1 0 511.603 5.907 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198750 553609665 /nfs/dbraw/zinc/60/96/65/553609665.db2.gz QGETYLJENXUMQL-PIKZIKFNSA-N -1 0 523.658 7.022 50 30 KKEARM Cc1ccsc1[C@H]1c2c(C)nn(-c3ccccc3C(=O)[O-])c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018198850 553610072 /nfs/dbraw/zinc/61/00/72/553610072.db2.gz OXBLUTFLCWGJFT-FYSMJZIKSA-N -1 0 501.633 6.269 50 30 KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070697217 553612506 /nfs/dbraw/zinc/61/25/06/553612506.db2.gz UUSRSOMFQHDJAD-SPHLKWRESA-N -1 0 535.681 5.022 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070697213 553612516 /nfs/dbraw/zinc/61/25/16/553612516.db2.gz UUSRSOMFQHDJAD-XAFAIMEYSA-N -1 0 535.681 5.022 50 30 biogenic KKEARM C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070697441 553612788 /nfs/dbraw/zinc/61/27/88/553612788.db2.gz MGUKBGMXAHYHQC-CQFBVUNASA-N -1 0 546.708 5.061 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070697558 553613074 /nfs/dbraw/zinc/61/30/74/553613074.db2.gz BCBXQCAEFQEDQZ-WLXVJPSDSA-N -1 0 584.838 7.984 50 30 biogenic KKEARM COc1ccc(/C=C2\Oc3c(c(C)cc([O-])c3CN3CCN(c4cccc(Cl)c4)CC3)C2=O)c(OC)c1OC ZINC000071389085 553636103 /nfs/dbraw/zinc/63/61/03/553636103.db2.gz XEABRZGQWBMXJV-MYYYXRDXSA-N -1 0 551.039 5.318 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000072332877 553650364 /nfs/dbraw/zinc/65/03/64/553650364.db2.gz IJEVCNPWWCDYER-LWZBWOGYSA-N -1 0 632.882 9.131 50 30 biogenic KKEARM CCOc1cc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201997 553700727 /nfs/dbraw/zinc/70/07/27/553700727.db2.gz AHEYHUBOBSDHSD-DEOSSOPVSA-N -1 0 512.603 5.569 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095719227 553709617 /nfs/dbraw/zinc/70/96/17/553709617.db2.gz RUDINRUXCKIXAJ-UHFFFAOYSA-N -1 0 714.106 8.257 50 30 KKEARM C=C(C)COc1ccc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096115503 553726023 /nfs/dbraw/zinc/72/60/23/553726023.db2.gz LHTCPEJCLLVXFB-GOSISDBHSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F ZINC000096273105 553731949 /nfs/dbraw/zinc/73/19/49/553731949.db2.gz TVTXCJFHQKSQQM-LJQIRTBHSA-N -1 0 616.492 6.939 50 30 investigational KKEARM CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000097939676 553760149 /nfs/dbraw/zinc/76/01/49/553760149.db2.gz XKQRPVFREGTMQU-CMJOXMDJSA-N -1 0 544.651 5.028 50 30 KKEARM CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000097939678 553760184 /nfs/dbraw/zinc/76/01/84/553760184.db2.gz XKQRPVFREGTMQU-WNSKOXEYSA-N -1 0 544.651 5.028 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939787 553761270 /nfs/dbraw/zinc/76/12/70/553761270.db2.gz VQNCYNJIFGQWBE-SSOJOUAXSA-N -1 0 556.637 5.090 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000097944423 553769401 /nfs/dbraw/zinc/76/94/01/553769401.db2.gz ORPNVZUSOCPRDW-NDOVMMQRSA-N -1 0 609.542 7.528 50 30 KKEARM COc1ccc2[nH]cc(C(=O)/C=C3/SC(=S)N(c4cc(Br)c([O-])c(Br)c4)C3=O)c2c1 ZINC000097947788 553788641 /nfs/dbraw/zinc/78/86/41/553788641.db2.gz FEWKKHJTZIQIGC-REZTVBANSA-N -1 0 568.268 5.539 50 30 KKEARM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000097948655 553795508 /nfs/dbraw/zinc/79/55/08/553795508.db2.gz XZDPHIGQWQWYRC-KCEHZKJRSA-N -1 0 590.642 7.768 50 30 KKEARM CCCCCCCCCCC/C=C/CCCCC[C@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000097950066 553803417 /nfs/dbraw/zinc/80/34/17/553803417.db2.gz ZTJKYXYHCNKSJH-WUZNFDRSSA-N -1 0 525.734 7.372 50 30 KKEARM CCCCCCCCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097950753 553805504 /nfs/dbraw/zinc/80/55/04/553805504.db2.gz SQJRGMNDJBAVCS-HSZRJFAPSA-N -1 0 567.023 7.575 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000097951601 553810226 /nfs/dbraw/zinc/81/02/26/553810226.db2.gz SLNZZIDQNVAUEE-LJQANCHMSA-N -1 0 514.173 5.390 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000097952573 553816671 /nfs/dbraw/zinc/81/66/71/553816671.db2.gz CBLPFCZBWJSPQG-VWLOTQADSA-N -1 0 539.613 5.719 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097954027 553820495 /nfs/dbraw/zinc/82/04/95/553820495.db2.gz LJAAGQWKYKXPHW-QHCPKHFHSA-N -1 0 534.977 5.512 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097954052 553821009 /nfs/dbraw/zinc/82/10/09/553821009.db2.gz CGHAIYPQEJDVSX-DEOSSOPVSA-N -1 0 548.617 5.387 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000097955288 553830599 /nfs/dbraw/zinc/83/05/99/553830599.db2.gz ZZCXLASIVRQLDJ-BZQUYTCOSA-N -1 0 530.577 5.940 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097955290 553830663 /nfs/dbraw/zinc/83/06/63/553830663.db2.gz HZXOHJQHQPGFTD-DEOSSOPVSA-N -1 0 623.481 5.944 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097955263 553830674 /nfs/dbraw/zinc/83/06/74/553830674.db2.gz UPODBMJPAIOXNH-ZLOXQWCVSA-N -1 0 547.976 5.964 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3ccncc3)nc2c1 ZINC000097955550 553831280 /nfs/dbraw/zinc/83/12/80/553831280.db2.gz ZYFJZPDKVJGYHS-AUEPDCJTSA-N -1 0 567.124 5.555 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955618 553831971 /nfs/dbraw/zinc/83/19/71/553831971.db2.gz WMGDDBWGNABGNP-MQNRADLISA-N -1 0 547.032 6.455 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955643 553832441 /nfs/dbraw/zinc/83/24/41/553832441.db2.gz XLCWGWZAAIEWAZ-BSEYFRJRSA-N -1 0 533.005 6.065 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955640 553832493 /nfs/dbraw/zinc/83/24/93/553832493.db2.gz MFISSRQSOXHHDR-NPMABZOXSA-N -1 0 520.969 6.195 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955813 553834246 /nfs/dbraw/zinc/83/42/46/553834246.db2.gz FXYQDBRJQREDIP-NPMABZOXSA-N -1 0 547.976 5.964 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000027551455 553834391 /nfs/dbraw/zinc/83/43/91/553834391.db2.gz UGRJTZLQDUTGTC-FQEVSTJZSA-N -1 0 507.326 5.125 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000097956226 553837035 /nfs/dbraw/zinc/83/70/35/553837035.db2.gz LQCARSUPQNCQIE-JCQPUDPBSA-N -1 0 531.521 5.450 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000097956273 553837350 /nfs/dbraw/zinc/83/73/50/553837350.db2.gz OKSDWNLDRDSHEN-DEOSSOPVSA-N -1 0 532.021 6.170 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000097956784 553841938 /nfs/dbraw/zinc/84/19/38/553841938.db2.gz YXIRIQHEFPVOIJ-HXUWFJFHSA-N -1 0 561.443 6.035 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956809 553842137 /nfs/dbraw/zinc/84/21/37/553842137.db2.gz XJRUSCSYCSGSDH-HHHXNRCGSA-N -1 0 596.661 6.687 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956810 553842236 /nfs/dbraw/zinc/84/22/36/553842236.db2.gz XJRUSCSYCSGSDH-MHZLTWQESA-N -1 0 596.661 6.687 50 30 KKEARM C=CCc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000097958617 553856246 /nfs/dbraw/zinc/85/62/46/553856246.db2.gz KDPMVKVICOTBGG-KQWNVCNZSA-N -1 0 591.458 6.459 50 30 KKEARM Cc1ccc(C)c(N=Nc2c(=O)n(-c3nc(-c4ccc(Br)cc4)cs3)[n-]c2-c2ccccc2)c1 ZINC000097959194 553861735 /nfs/dbraw/zinc/86/17/35/553861735.db2.gz OCDLHCBSNCMLAI-KRUMMXJUSA-N -1 0 530.451 6.408 50 30 KKEARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(Br)c3)C2=O)c1C ZINC000097960540 553872227 /nfs/dbraw/zinc/87/22/27/553872227.db2.gz ACWRFAAZGXDADP-MTJSOVHGSA-N -1 0 530.378 6.023 50 30 KKEARM N#Cc1ccccc1COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Br ZINC000097960890 553873964 /nfs/dbraw/zinc/87/39/64/553873964.db2.gz JNFLVTXECGIXMC-NDENLUEZSA-N -1 0 518.392 5.571 50 30 KKEARM C=CCc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(I)cc1 ZINC000097962705 553885100 /nfs/dbraw/zinc/88/51/00/553885100.db2.gz AWEARLODTLQZCC-NDENLUEZSA-N -1 0 595.480 5.283 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N/N=C2\N(C)c3ccccc3C2(C)C)cc1C(=O)[O-] ZINC000097962834 553885686 /nfs/dbraw/zinc/88/56/86/553885686.db2.gz GPGFRIFEPAIYLM-OVJIMOTJSA-N -1 0 641.919 9.045 50 30 KKEARM C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000097966210 553907567 /nfs/dbraw/zinc/90/75/67/553907567.db2.gz PVFWNDCJWMGJRH-JWGURIENSA-N -1 0 549.421 5.105 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097966972 553912684 /nfs/dbraw/zinc/91/26/84/553912684.db2.gz GPPBZDNWKZOYSY-WJOKGBTCSA-N -1 0 646.721 7.701 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967327 553916841 /nfs/dbraw/zinc/91/68/41/553916841.db2.gz TXDTVXIBWAPKEC-OWJWWREXSA-N -1 0 577.634 6.215 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097967343 553917177 /nfs/dbraw/zinc/91/71/77/553917177.db2.gz NILAEUQPCJKQOY-LJAQVGFWSA-N -1 0 656.713 6.160 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967377 553917498 /nfs/dbraw/zinc/91/74/98/553917498.db2.gz GTHXRJOCSSNRFL-JCOAXYOVSA-N -1 0 665.768 7.655 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967381 553917667 /nfs/dbraw/zinc/91/76/67/553917667.db2.gz WLCAPYHJBBGDRB-NHRFMIRVSA-N -1 0 677.848 8.659 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967375 553917733 /nfs/dbraw/zinc/91/77/33/553917733.db2.gz GTHXRJOCSSNRFL-BGOLNKOXSA-N -1 0 665.768 7.655 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967503 553919309 /nfs/dbraw/zinc/91/93/09/553919309.db2.gz NBCMWMRHEFYBPT-OHWKKVTOSA-N -1 0 707.874 8.668 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967500 553919431 /nfs/dbraw/zinc/91/94/31/553919431.db2.gz AHTBQTNYGQAKDN-RCRUUEGKSA-N -1 0 641.815 7.670 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967576 553920091 /nfs/dbraw/zinc/92/00/91/553920091.db2.gz DZIAGLHPKDBBAD-LJAQVGFWSA-N -1 0 670.740 6.490 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000097967591 553920671 /nfs/dbraw/zinc/92/06/71/553920671.db2.gz RPALZPCDFUSIQJ-MYODQAERSA-N -1 0 571.869 7.363 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967733 553922357 /nfs/dbraw/zinc/92/23/57/553922357.db2.gz DSYRIIJYHPDRLC-AUSOSSAASA-N -1 0 760.721 9.221 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097967812 553923486 /nfs/dbraw/zinc/92/34/86/553923486.db2.gz NJEQMFHQUVQSEO-LDLUVENISA-N -1 0 619.139 7.490 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000033353240 553923855 /nfs/dbraw/zinc/92/38/55/553923855.db2.gz FRSCIIODKHRFPE-QRQIAZFYSA-N -1 0 542.768 6.435 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4c(Cl)cc([N+](=O)[O-])cc4Cl)c3=O)n2)cc1 ZINC000033353226 553923838 /nfs/dbraw/zinc/92/38/38/553923838.db2.gz WQCSNDGIHIDJCD-JJKYIXSRSA-N -1 0 567.414 6.253 50 30 KKEARM C[C@@H]1CCC[C@@H](C)N1c1nc(N=NCc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)n1 ZINC000033353333 553924481 /nfs/dbraw/zinc/92/44/81/553924481.db2.gz WKCAIEXFIOELPP-OUNKDNHMSA-N -1 0 538.612 6.169 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097967994 553926079 /nfs/dbraw/zinc/92/60/79/553926079.db2.gz DBRZIJQTLFVCMZ-AREMUKBSSA-N -1 0 619.696 6.312 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000097968007 553926128 /nfs/dbraw/zinc/92/61/28/553926128.db2.gz ZSLBLIASEMFZGN-PSXMRANNSA-N -1 0 743.863 8.515 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968039 553926546 /nfs/dbraw/zinc/92/65/46/553926546.db2.gz RAHJEOYXSZVSFP-LJAQVGFWSA-N -1 0 637.739 6.936 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097968028 553926619 /nfs/dbraw/zinc/92/66/19/553926619.db2.gz AOFGDZORZSMUFP-HKBQPEDESA-N -1 0 687.840 7.517 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097968030 553926633 /nfs/dbraw/zinc/92/66/33/553926633.db2.gz DQTFQRBYERFOAM-DEOSSOPVSA-N -1 0 575.643 5.832 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968020 553926692 /nfs/dbraw/zinc/92/66/92/553926692.db2.gz WPYOQNRXECATOT-VWLOTQADSA-N -1 0 622.124 6.437 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968046 553926918 /nfs/dbraw/zinc/92/69/18/553926918.db2.gz AQAXVAHUTIQKJC-GDLZYMKVSA-N -1 0 694.231 7.616 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968073 553926991 /nfs/dbraw/zinc/92/69/91/553926991.db2.gz JBFUHULSNCKJHE-QJWGWKRISA-N -1 0 740.731 9.211 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968056 553927129 /nfs/dbraw/zinc/92/71/29/553927129.db2.gz BZVAKFLIKXDIKU-SSEXGKCCSA-N -1 0 691.803 7.491 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968105 553927883 /nfs/dbraw/zinc/92/78/83/553927883.db2.gz AULUGEMZVSFNTB-MYYSRTQBSA-N -1 0 594.089 6.729 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968128 553928016 /nfs/dbraw/zinc/92/80/16/553928016.db2.gz PBHQDNYFMDEVKP-MUUNZHRXSA-N -1 0 629.760 6.954 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968111 553928020 /nfs/dbraw/zinc/92/80/20/553928020.db2.gz ZDDHKJGHTFTGIT-RUZDIDTESA-N -1 0 587.679 5.702 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097968135 553928363 /nfs/dbraw/zinc/92/83/63/553928363.db2.gz CWWWWTYROUCXLF-LJAQVGFWSA-N -1 0 626.687 6.186 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000097968134 553928404 /nfs/dbraw/zinc/92/84/04/553928404.db2.gz CWWWWTYROUCXLF-GDLZYMKVSA-N -1 0 626.687 6.186 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968278 553930043 /nfs/dbraw/zinc/93/00/43/553930043.db2.gz LPIQYEURHMLBNI-DEOSSOPVSA-N -1 0 564.616 5.006 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968264 553930110 /nfs/dbraw/zinc/93/01/10/553930110.db2.gz JGABDXVDFVQRKG-XMMPIXPASA-N -1 0 573.652 5.393 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000097968353 553930741 /nfs/dbraw/zinc/93/07/41/553930741.db2.gz PCNKJAZIVDQLJD-OYLFLEFRSA-N -1 0 575.643 5.781 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968339 553930878 /nfs/dbraw/zinc/93/08/78/553930878.db2.gz VFQMQIPRNIZNKH-XMMPIXPASA-N -1 0 601.662 5.171 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968371 553931480 /nfs/dbraw/zinc/93/14/80/553931480.db2.gz MQEBWPUPNLLRBK-HHHXNRCGSA-N -1 0 611.676 6.677 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097968407 553932013 /nfs/dbraw/zinc/93/20/13/553932013.db2.gz ZFNCNKOWNWQFCI-PMERELPUSA-N -1 0 673.813 7.352 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968386 553932022 /nfs/dbraw/zinc/93/20/22/553932022.db2.gz KICWYYPJCWGRMX-QHCPKHFHSA-N -1 0 612.516 6.691 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968388 553932044 /nfs/dbraw/zinc/93/20/44/553932044.db2.gz DNGNDUUIHCQRJL-SANMLTNESA-N -1 0 636.151 6.827 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000097968418 553932399 /nfs/dbraw/zinc/93/23/99/553932399.db2.gz KOIGESPLGCVLLV-SPSFWMDKSA-N -1 0 611.445 6.018 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097968432 553932528 /nfs/dbraw/zinc/93/25/28/553932528.db2.gz GINNWSRVJHVZAN-HHHXNRCGSA-N -1 0 613.717 6.258 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000033355499 553934993 /nfs/dbraw/zinc/93/49/93/553934993.db2.gz ALMHBFVIOBNKKR-JOCHJYFZSA-N -1 0 600.005 5.460 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097969157 553937519 /nfs/dbraw/zinc/93/75/19/553937519.db2.gz VHZWXNNUDXQQAB-LFPIHBKWSA-N -1 0 551.451 7.018 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969191 553937696 /nfs/dbraw/zinc/93/76/96/553937696.db2.gz NUSWFWKZBZNRLE-AFJIDDCJSA-N -1 0 662.233 8.159 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969192 553937889 /nfs/dbraw/zinc/93/78/89/553937889.db2.gz NUSWFWKZBZNRLE-WRONEBCDSA-N -1 0 662.233 8.159 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969298 553939272 /nfs/dbraw/zinc/93/92/72/553939272.db2.gz KRRUGKLDGCKFSV-NDEPHWFRSA-N -1 0 602.665 6.047 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969304 553939378 /nfs/dbraw/zinc/93/93/78/553939378.db2.gz IYRWEOCMHHKBJK-RQZFFVEVSA-N -1 0 639.129 7.644 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969283 553939431 /nfs/dbraw/zinc/93/94/31/553939431.db2.gz ZSFREEOKHPESSI-DNOBIOAJSA-N -1 0 632.163 7.155 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969336 553939665 /nfs/dbraw/zinc/93/96/65/553939665.db2.gz WHQXNSFCKMKFMA-WINIVTDRSA-N -1 0 597.718 6.502 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969651 553943377 /nfs/dbraw/zinc/94/33/77/553943377.db2.gz VLCALTNROZAOOJ-PUAOIOHZSA-N -1 0 606.125 6.599 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969810 553945512 /nfs/dbraw/zinc/94/55/12/553945512.db2.gz JONNWPWVOCBTFL-ODCWNRFASA-N -1 0 591.483 6.564 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969858 553945930 /nfs/dbraw/zinc/94/59/30/553945930.db2.gz HMFOROSSGMGAEQ-HMILPKGGSA-N -1 0 629.760 6.734 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097969951 553947360 /nfs/dbraw/zinc/94/73/60/553947360.db2.gz WAMPXBLPDXESLM-LJAQVGFWSA-N -1 0 592.629 6.651 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970035 553948708 /nfs/dbraw/zinc/94/87/08/553948708.db2.gz CQFNRBHTFXLVBR-ADXZGYQBSA-N -1 0 621.740 7.099 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970067 553949019 /nfs/dbraw/zinc/94/90/19/553949019.db2.gz AUIKROCVVBFSSI-AREMUKBSSA-N -1 0 604.681 5.773 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970115 553949601 /nfs/dbraw/zinc/94/96/01/553949601.db2.gz XTZZZZDKMWQPDM-DNOBIOAJSA-N -1 0 617.724 6.865 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970132 553950027 /nfs/dbraw/zinc/95/00/27/553950027.db2.gz HPSYUKJYSZXWJD-HSZRJFAPSA-N -1 0 625.453 5.336 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097970128 553950115 /nfs/dbraw/zinc/95/01/15/553950115.db2.gz LJJBLXGONNSSAK-NDEPHWFRSA-N -1 0 626.687 6.179 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970153 553950450 /nfs/dbraw/zinc/95/04/50/553950450.db2.gz MTKXQTKARLKASV-WRHNGFHOSA-N -1 0 647.750 6.873 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097970201 553950781 /nfs/dbraw/zinc/95/07/81/553950781.db2.gz BEQZGUPZGZIKEH-KATKFWMUSA-N -1 0 709.821 8.054 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970247 553951637 /nfs/dbraw/zinc/95/16/37/553951637.db2.gz QJODPTZUVUUFST-UKPGIYTDSA-N -1 0 649.794 7.879 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970245 553951763 /nfs/dbraw/zinc/95/17/63/553951763.db2.gz QJODPTZUVUUFST-BGOLNKOXSA-N -1 0 649.794 7.879 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000097970294 553952018 /nfs/dbraw/zinc/95/20/18/553952018.db2.gz CBWHGNCIVAOMEX-KEEVHDRGSA-N -1 0 654.741 6.712 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970306 553952620 /nfs/dbraw/zinc/95/26/20/553952620.db2.gz OHNPKJGVLJIHBL-IVCQMTBJSA-N -1 0 617.680 5.862 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970412 553953704 /nfs/dbraw/zinc/95/37/04/553953704.db2.gz PMBWGHQBHSZRTE-HHHXNRCGSA-N -1 0 612.660 5.761 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970474 553954675 /nfs/dbraw/zinc/95/46/75/553954675.db2.gz BZLPTEFJJCHWLY-HMILPKGGSA-N -1 0 648.206 7.769 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970548 553955920 /nfs/dbraw/zinc/95/59/20/553955920.db2.gz PLFISMGMIUOJHY-SANMLTNESA-N -1 0 574.611 5.266 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097970651 553957177 /nfs/dbraw/zinc/95/71/77/553957177.db2.gz QAXDMWSCTJDGAS-QFIPXVFZSA-N -1 0 583.847 6.266 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097970761 553958215 /nfs/dbraw/zinc/95/82/15/553958215.db2.gz BGJCALJOSRDVQH-SLQAJWMNSA-N -1 0 676.216 7.554 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097970741 553958225 /nfs/dbraw/zinc/95/82/25/553958225.db2.gz NFVATYSAUKUBCP-HSZRJFAPSA-N -1 0 579.428 5.622 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970748 553958235 /nfs/dbraw/zinc/95/82/35/553958235.db2.gz PWYZTXOLDASBGL-UGDMGKLASA-N -1 0 671.841 7.760 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970749 553958250 /nfs/dbraw/zinc/95/82/50/553958250.db2.gz PWYZTXOLDASBGL-JPZYQRIQSA-N -1 0 671.841 7.760 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@H](CC)Sc1nc(-c3cccc(OC)c3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000097995356 554034139 /nfs/dbraw/zinc/03/41/39/554034139.db2.gz QPKWGPFJCHPUQJ-IBGZPJMESA-N -1 0 552.678 5.356 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(C)c(Br)c4)c3=O)n2)cc1 ZINC000097997101 554039570 /nfs/dbraw/zinc/03/95/70/554039570.db2.gz HITXODOKYBDZQJ-BGABXYSRSA-N -1 0 546.450 6.109 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Oc5ccccc5)cc4)c3=O)n2)cc1 ZINC000097997105 554039855 /nfs/dbraw/zinc/03/98/55/554039855.db2.gz WFDRRQCDYKJADI-RIHQVDFKSA-N -1 0 545.624 6.830 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)c([N+](=O)[O-])c4)c3=O)n2)cc1 ZINC000097997103 554039965 /nfs/dbraw/zinc/03/99/65/554039965.db2.gz QWCJXGTWUPRSEN-BYNJWEBRSA-N -1 0 532.969 5.599 50 30 KKEARM N#Cc1c(=O)[n-]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1cccc(Cl)c1 ZINC000098008946 554068192 /nfs/dbraw/zinc/06/81/92/554068192.db2.gz BIWLJLSMAJNKPP-UHFFFAOYSA-N -1 0 516.910 7.545 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S/C2=N\c2ccccc2)cc1 ZINC000035974009 554115104 /nfs/dbraw/zinc/11/51/04/554115104.db2.gz NQQHETRREFBXAL-HGQJUGFDSA-N -1 0 549.435 7.756 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(F)cc2)nc1C ZINC000098045752 554133531 /nfs/dbraw/zinc/13/35/31/554133531.db2.gz PYHXBXJDNGJBOX-FPTDNZKUSA-N -1 0 534.565 5.040 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098046336 554137928 /nfs/dbraw/zinc/13/79/28/554137928.db2.gz FBPLRWIQULXJFN-HXUWFJFHSA-N -1 0 526.998 5.382 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098046350 554137954 /nfs/dbraw/zinc/13/79/54/554137954.db2.gz ORGHLBVVKYEQGC-QHCPKHFHSA-N -1 0 565.047 6.104 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000098046510 554139729 /nfs/dbraw/zinc/13/97/29/554139729.db2.gz HFQVYDGFSMIGAH-AREMUKBSSA-N -1 0 708.587 7.391 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046508 554139775 /nfs/dbraw/zinc/13/97/75/554139775.db2.gz ANMMKYXBHXLOOS-RUZDIDTESA-N -1 0 626.131 7.203 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046505 554139818 /nfs/dbraw/zinc/13/98/18/554139818.db2.gz HZFSFDZQUCUYMY-PMERELPUSA-N -1 0 704.201 8.002 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046532 554140328 /nfs/dbraw/zinc/14/03/28/554140328.db2.gz MZXSUSFPRGBNBG-SANMLTNESA-N -1 0 602.137 8.136 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000098046605 554141502 /nfs/dbraw/zinc/14/15/02/554141502.db2.gz MNWANIXQDNYJRV-SANMLTNESA-N -1 0 670.596 7.480 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3sc(C)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098046637 554142043 /nfs/dbraw/zinc/14/20/43/554142043.db2.gz KSCFUIGABHQALK-HXUWFJFHSA-N -1 0 568.677 5.834 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046666 554142331 /nfs/dbraw/zinc/14/23/31/554142331.db2.gz GYPCVEUZHSBXPE-QFIPXVFZSA-N -1 0 565.604 5.498 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000098046687 554142439 /nfs/dbraw/zinc/14/24/39/554142439.db2.gz VBTAZKLZFPNRGT-XMMPIXPASA-N -1 0 576.472 6.279 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000098046714 554142858 /nfs/dbraw/zinc/14/28/58/554142858.db2.gz HESCSUOHCFFRKI-QFIPXVFZSA-N -1 0 550.061 6.275 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047257 554148317 /nfs/dbraw/zinc/14/83/17/554148317.db2.gz GJEWFBCFACPSOQ-GDLZYMKVSA-N -1 0 657.745 7.322 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccncc2)cc1F ZINC000098047261 554148386 /nfs/dbraw/zinc/14/83/86/554148386.db2.gz XFBWYUFAZAGBDD-RUZDIDTESA-N -1 0 584.654 6.309 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047404 554150391 /nfs/dbraw/zinc/15/03/91/554150391.db2.gz YOLIEUDFPSCCAL-GDLZYMKVSA-N -1 0 647.794 8.110 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098047423 554150847 /nfs/dbraw/zinc/15/08/47/554150847.db2.gz PBMXAJSUUXQDBA-PMERELPUSA-N -1 0 661.821 8.500 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047433 554150911 /nfs/dbraw/zinc/15/09/11/554150911.db2.gz DZGRNIGFWOHFPH-NDEPHWFRSA-N -1 0 650.222 8.234 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098047442 554151017 /nfs/dbraw/zinc/15/10/17/554151017.db2.gz SCVQCIRACJXZAH-HSZRJFAPSA-N -1 0 567.063 6.328 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047461 554151368 /nfs/dbraw/zinc/15/13/68/554151368.db2.gz MGUPLUGMFXZFDC-SANMLTNESA-N -1 0 633.723 6.718 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047464 554151461 /nfs/dbraw/zinc/15/14/61/554151461.db2.gz MVBFEUCFTAAZFD-AREMUKBSSA-N -1 0 650.178 7.232 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047500 554151739 /nfs/dbraw/zinc/15/17/39/554151739.db2.gz XHJKVJKVUISHKB-NDEPHWFRSA-N -1 0 634.751 6.800 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000098047523 554152291 /nfs/dbraw/zinc/15/22/91/554152291.db2.gz YDSPLYPBZBJGJR-NDEPHWFRSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047530 554152317 /nfs/dbraw/zinc/15/23/17/554152317.db2.gz OJPYWIPEXOFVHF-SSEXGKCCSA-N -1 0 664.821 7.660 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000098047560 554152607 /nfs/dbraw/zinc/15/26/07/554152607.db2.gz JAWOLFPVCYJWOW-XIFFEERXSA-N -1 0 701.911 9.068 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047562 554152615 /nfs/dbraw/zinc/15/26/15/554152615.db2.gz DJRTVLGHENFYLA-DEOSSOPVSA-N -1 0 593.658 6.134 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047548 554152671 /nfs/dbraw/zinc/15/26/71/554152671.db2.gz OBFBNFKSZXOQDR-HKBQPEDESA-N -1 0 673.857 8.370 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OCC ZINC000098047556 554152690 /nfs/dbraw/zinc/15/26/90/554152690.db2.gz BGBCRJQSCLMQOD-HKBQPEDESA-N -1 0 678.848 8.194 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047575 554153016 /nfs/dbraw/zinc/15/30/16/554153016.db2.gz ZOLNMYZSHRPYJT-WJOKGBTCSA-N -1 0 691.847 8.509 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047597 554153040 /nfs/dbraw/zinc/15/30/40/554153040.db2.gz LUIFKGVYLKJAEU-AREMUKBSSA-N -1 0 589.714 7.240 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047626 554153362 /nfs/dbraw/zinc/15/33/62/554153362.db2.gz OASKTQSFNBINBR-MHZLTWQESA-N -1 0 635.739 6.949 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047609 554153581 /nfs/dbraw/zinc/15/35/81/554153581.db2.gz OAEUFPLORWPBJC-AREMUKBSSA-N -1 0 616.721 7.009 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047648 554153892 /nfs/dbraw/zinc/15/38/92/554153892.db2.gz XJPWRNLEOMYDTM-VWLOTQADSA-N -1 0 620.684 6.840 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047715 554155023 /nfs/dbraw/zinc/15/50/23/554155023.db2.gz DOEBYSNKOXOLEX-JGCGQSQUSA-N -1 0 699.826 8.492 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047704 554155031 /nfs/dbraw/zinc/15/50/31/554155031.db2.gz YHBRZJQSXFARJF-NDEPHWFRSA-N -1 0 627.719 7.313 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000098047720 554155050 /nfs/dbraw/zinc/15/50/50/554155050.db2.gz HCPMZPNPQLYOHC-NDEPHWFRSA-N -1 0 626.735 6.980 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047744 554155284 /nfs/dbraw/zinc/15/52/84/554155284.db2.gz DFWIALPNXZDINP-NDEPHWFRSA-N -1 0 611.720 7.477 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1F ZINC000098047746 554155338 /nfs/dbraw/zinc/15/53/38/554155338.db2.gz MESZTILEZWORPK-SANMLTNESA-N -1 0 601.656 7.053 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047752 554155355 /nfs/dbraw/zinc/15/53/55/554155355.db2.gz LDCNYZBTKXQTRM-NDEPHWFRSA-N -1 0 595.721 7.776 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000098047770 554155809 /nfs/dbraw/zinc/15/58/09/554155809.db2.gz IMHXQFBGSPJKRP-MHZLTWQESA-N -1 0 720.623 7.260 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047759 554155815 /nfs/dbraw/zinc/15/58/15/554155815.db2.gz ZFIYFIDOAUZUTP-JGCGQSQUSA-N -1 0 697.835 7.971 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1OC ZINC000098047808 554156172 /nfs/dbraw/zinc/15/61/72/554156172.db2.gz FMPLMMDLHAIDCC-XIFFEERXSA-N -1 0 687.799 8.576 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000098047798 554156191 /nfs/dbraw/zinc/15/61/91/554156191.db2.gz OYZKKNHAWQMVHG-DHUJRADRSA-N -1 0 731.852 8.371 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000098047797 554156247 /nfs/dbraw/zinc/15/62/47/554156247.db2.gz OYZKKNHAWQMVHG-PGUFJCEWSA-N -1 0 731.852 8.371 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047844 554156639 /nfs/dbraw/zinc/15/66/39/554156639.db2.gz CSJQJBHMBQWVPP-LJAQVGFWSA-N -1 0 609.748 8.337 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047830 554156661 /nfs/dbraw/zinc/15/66/61/554156661.db2.gz JSKJPLZOMCIPSO-YTTGMZPUSA-N -1 0 683.827 8.792 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc(Br)c1O ZINC000098047837 554156765 /nfs/dbraw/zinc/15/67/65/554156765.db2.gz IQFHAXNJYHUZDO-AREMUKBSSA-N -1 0 692.588 7.691 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2)cc1F ZINC000098047835 554156779 /nfs/dbraw/zinc/15/67/79/554156779.db2.gz MZYLPVZNQIAZGJ-AREMUKBSSA-N -1 0 567.667 7.214 50 30 KKEARM O=c1c(N=Nc2ccc3ccccc3c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100005892 554178043 /nfs/dbraw/zinc/17/80/43/554178043.db2.gz LOSKQBVXUAUUPX-GKPLWNPISA-N -1 0 518.558 6.091 50 30 KKEARM O=c1c(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100005784 554178046 /nfs/dbraw/zinc/17/80/46/554178046.db2.gz MVSZXYSNSLTMIY-IADYIPOJSA-N -1 0 582.385 6.152 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100006167 554178277 /nfs/dbraw/zinc/17/82/77/554178277.db2.gz GZAIXMXJTDVSOM-LEWJYISDSA-N -1 0 524.831 6.012 50 30 KKEARM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100033894 554187639 /nfs/dbraw/zinc/18/76/39/554187639.db2.gz RICKCGHIXFSARC-MPJSQWMVSA-N -1 0 543.535 5.246 50 30 KKEARM Cc1ccc2nc(-c3cc(/N=C\c4cc(Br)c([O-])c(Br)c4O)ccc3Cl)oc2c1 ZINC000100046749 554193862 /nfs/dbraw/zinc/19/38/62/554193862.db2.gz KYFLDTFTFWSBLK-MWYAZZEHSA-N -1 0 536.607 7.143 50 30 KKEARM CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)cc(Br)c2[O-])ccc1O ZINC000100057413 554197087 /nfs/dbraw/zinc/19/70/87/554197087.db2.gz CAJHXOCCVUZDGL-BRJLIKDPSA-N -1 0 531.204 6.087 50 30 KKEARM Cc1cc(C)cc(/N=C2\S/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)c1 ZINC000100091371 554211419 /nfs/dbraw/zinc/21/14/19/554211419.db2.gz YAQZALVSAXRUDM-HFKVMNANSA-N -1 0 577.444 6.459 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000100186366 554243037 /nfs/dbraw/zinc/24/30/37/554243037.db2.gz ZTAONCRKONPSSZ-SYEIVFNPSA-N -1 0 527.524 5.564 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000100229705 554255026 /nfs/dbraw/zinc/25/50/26/554255026.db2.gz PRJQMUUABYZLEP-AREMUKBSSA-N -1 0 564.391 6.271 50 30 KKEARM COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2cccc(Cl)c2)cc1OC ZINC000100307549 554296166 /nfs/dbraw/zinc/29/61/66/554296166.db2.gz PYGXULPTEGVYAF-UCSRTCPSSA-N -1 0 568.051 5.258 50 30 KKEARM CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc([O-])cc2oc2cc(=O)ccc1-2 ZINC000100309323 554298466 /nfs/dbraw/zinc/29/84/66/554298466.db2.gz UDHKRSZNYLYOEP-UHFFFAOYSA-N -1 0 584.797 10.689 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000053276039 554330517 /nfs/dbraw/zinc/33/05/17/554330517.db2.gz JIMPHZVSIVMXET-GHRAFVERSA-N -1 0 584.625 5.256 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000053290498 554331161 /nfs/dbraw/zinc/33/11/61/554331161.db2.gz WUUYWHBJBCXJEU-HXUWFJFHSA-N -1 0 560.242 6.280 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000053305944 554333173 /nfs/dbraw/zinc/33/31/73/554333173.db2.gz UWIPQGCYRGWLSD-QHCPKHFHSA-N -1 0 534.565 5.634 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000053306731 554334309 /nfs/dbraw/zinc/33/43/09/554334309.db2.gz IIRDJWGAAQSTPX-LJQANCHMSA-N -1 0 593.069 6.152 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053306656 554334391 /nfs/dbraw/zinc/33/43/91/554334391.db2.gz JENQNAUBTOCBKY-QFIPXVFZSA-N -1 0 553.409 6.380 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306917 554334797 /nfs/dbraw/zinc/33/47/97/554334797.db2.gz DICJVILJXIRMTE-JOCHJYFZSA-N -1 0 535.419 6.240 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000053319107 554335783 /nfs/dbraw/zinc/33/57/83/554335783.db2.gz UVVKOCZHHIHNEV-ZLOXQWCVSA-N -1 0 520.969 6.195 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000053319263 554336970 /nfs/dbraw/zinc/33/69/70/554336970.db2.gz GTMLXPDRDOIMPR-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000053319375 554337456 /nfs/dbraw/zinc/33/74/56/554337456.db2.gz JJQAFQXPJUOATQ-HHHXNRCGSA-N -1 0 540.641 6.578 50 30 KKEARM COc1ccc(CN2C(=O)C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000100358387 554339101 /nfs/dbraw/zinc/33/91/01/554339101.db2.gz VFMQSWXQYAEXSF-DSWYMIRZSA-N -1 0 523.998 5.207 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053332845 554339570 /nfs/dbraw/zinc/33/95/70/554339570.db2.gz CTNKZZABOCLISV-KRWDZBQOSA-N -1 0 547.814 5.437 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053335449 554340959 /nfs/dbraw/zinc/34/09/59/554340959.db2.gz FRIAQUHPVYHLTD-QFIPXVFZSA-N -1 0 551.349 5.317 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000053335744 554341012 /nfs/dbraw/zinc/34/10/12/554341012.db2.gz GHNZOHDWWXPRBM-XMMPIXPASA-N -1 0 549.004 5.903 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000053338199 554342676 /nfs/dbraw/zinc/34/26/76/554342676.db2.gz QNSTYPFZIKYSGC-XMMPIXPASA-N -1 0 527.558 5.722 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053339751 554343971 /nfs/dbraw/zinc/34/39/71/554343971.db2.gz XNIGJGAWZCGMHS-OAQYLSRUSA-N -1 0 539.382 5.989 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053340581 554344130 /nfs/dbraw/zinc/34/41/30/554344130.db2.gz KUFJBIDMYSJUHU-QHCPKHFHSA-N -1 0 531.546 5.395 50 30 KKEARM CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC ZINC000058649696 554364964 /nfs/dbraw/zinc/36/49/64/554364964.db2.gz LRIPXDCMGANCAE-PKTZIBPZSA-N -1 0 567.657 5.268 50 30 in-vitro KKEARM CCN(CC)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000058992754 554371519 /nfs/dbraw/zinc/37/15/19/554371519.db2.gz HCSWQYGOKBPNSF-WYOOIXGGSA-N -1 0 555.650 6.437 50 30 KKEARM CCc1ccccc1/N=C1\S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C(=O)N1c1ccccc1CC ZINC000058993363 554371805 /nfs/dbraw/zinc/37/18/05/554371805.db2.gz HJOPELPTFKOEBD-ZNFUCCHLSA-N -1 0 565.489 6.846 50 30 KKEARM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cc1)c1cccc(Cl)c1 ZINC000100457284 554396634 /nfs/dbraw/zinc/39/66/34/554396634.db2.gz QLQSWYYUEMPICR-OKCVXOCRSA-N -1 0 520.372 7.201 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1 ZINC000100512243 554408692 /nfs/dbraw/zinc/40/86/92/554408692.db2.gz STLUUCMUYVDUGI-AWQADKOQSA-N -1 0 562.054 6.914 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4cccc(Br)c4)C3=O)o2)ccc1Cl ZINC000100541012 554413079 /nfs/dbraw/zinc/41/30/79/554413079.db2.gz FYAIESQVWCHQBZ-CPNJWEJPSA-N -1 0 527.758 5.167 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N/Cc4ccccc4)N(Cc4ccccc4)C3=O)o2)ccc1Cl ZINC000100618831 554434084 /nfs/dbraw/zinc/43/40/84/554434084.db2.gz XGZQHNMKTVFDHV-LGUMZPBXSA-N -1 0 529.017 6.971 50 30 KKEARM CCCCCCCCn1c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)s2)c([O-])c2ccccc21 ZINC000100658516 554438253 /nfs/dbraw/zinc/43/82/53/554438253.db2.gz WYLWVAFQHRTVIF-UHFFFAOYSA-N -1 0 518.466 7.236 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000100675288 554443207 /nfs/dbraw/zinc/44/32/07/554443207.db2.gz ARMMIXVDHHHZHX-DEOSSOPVSA-N -1 0 583.106 6.880 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100674869 554443228 /nfs/dbraw/zinc/44/32/28/554443228.db2.gz LBRVAJWPIMGXTK-XMMPIXPASA-N -1 0 566.651 6.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100674845 554443264 /nfs/dbraw/zinc/44/32/64/554443264.db2.gz WKQREQVNUGDQQH-XMMPIXPASA-N -1 0 583.106 6.880 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677239 554444216 /nfs/dbraw/zinc/44/42/16/554444216.db2.gz MVAGHKDWIGXSRX-RUZDIDTESA-N -1 0 572.614 6.651 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100677703 554444697 /nfs/dbraw/zinc/44/46/97/554444697.db2.gz LAPDXXYUJNBTIY-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100679413 554445309 /nfs/dbraw/zinc/44/53/09/554445309.db2.gz SCNWSOPEVJMPKU-DEOSSOPVSA-N -1 0 610.685 5.616 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100679379 554445354 /nfs/dbraw/zinc/44/53/54/554445354.db2.gz FJUVDQTVLAARHY-QFIPXVFZSA-N -1 0 599.503 6.353 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100679599 554445704 /nfs/dbraw/zinc/44/57/04/554445704.db2.gz JXDUTKNCZVBARK-QFIPXVFZSA-N -1 0 538.597 5.729 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100680060 554445945 /nfs/dbraw/zinc/44/59/45/554445945.db2.gz VFUSHGIYHUWLBV-FQEVSTJZSA-N -1 0 528.428 5.571 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000100679957 554446212 /nfs/dbraw/zinc/44/62/12/554446212.db2.gz BRUPHSIGBGSIMR-QHCPKHFHSA-N -1 0 548.617 5.462 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cc(Cl)cc(Cl)c3)S2)cc1 ZINC000100749775 554465991 /nfs/dbraw/zinc/46/59/91/554465991.db2.gz XOJJXGHGTVHFFA-LVQIJYKZSA-N -1 0 542.444 5.895 50 30 KKEARM CCOc1[n-]n(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1C=NOCc1ccc(Cl)cc1Cl ZINC000100926357 554524199 /nfs/dbraw/zinc/52/41/99/554524199.db2.gz BRQDPYFUMXLLFK-UBWYOFIBSA-N -1 0 509.699 5.576 50 30 KKEARM CC[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575243 554540282 /nfs/dbraw/zinc/54/02/82/554540282.db2.gz PITYDXWYORHZSO-SCSAIBSYSA-N -1 0 519.195 5.911 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000101062635 554570620 /nfs/dbraw/zinc/57/06/20/554570620.db2.gz MNRZSZBJIIKHHZ-YDJIHCHBSA-N -1 0 526.343 5.269 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062613 554570700 /nfs/dbraw/zinc/57/07/00/554570700.db2.gz GLKMSWGKXIYXCP-IBOXJLQUSA-N -1 0 510.196 5.839 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101069764 554574119 /nfs/dbraw/zinc/57/41/19/554574119.db2.gz VABWKHBTQRJDEN-LFVOPCPISA-N -1 0 593.069 5.995 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000101069841 554574439 /nfs/dbraw/zinc/57/44/39/554574439.db2.gz IDSJQPIFTYDBNX-YDJIHCHBSA-N -1 0 527.346 5.963 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000101071376 554575653 /nfs/dbraw/zinc/57/56/53/554575653.db2.gz ZAARJYDKVBUCRY-GKVSMKOHSA-N -1 0 560.473 6.661 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1cccs1 ZINC000101072875 554576509 /nfs/dbraw/zinc/57/65/09/554576509.db2.gz YXCQOMNBWWWNFL-GHNGSUTGSA-N -1 0 515.385 5.886 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072838 554576541 /nfs/dbraw/zinc/57/65/41/554576541.db2.gz LHWNJMXHKUMHSU-WOOAAIBNSA-N -1 0 511.422 6.055 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101656 554638861 /nfs/dbraw/zinc/63/88/61/554638861.db2.gz IJVYASUBARHRRY-ASBZNUFUSA-N -1 0 509.381 5.895 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccccc1 ZINC000101101548 554638878 /nfs/dbraw/zinc/63/88/78/554638878.db2.gz CGLBSFAUMHAGGJ-YDJIHCHBSA-N -1 0 509.356 5.824 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000101276843 554703595 /nfs/dbraw/zinc/70/35/95/554703595.db2.gz GTFCYJNRTMNFAS-TXTDGAROSA-N -1 0 624.671 5.771 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101338196 554734507 /nfs/dbraw/zinc/73/45/07/554734507.db2.gz YYEMOEGOSQKSLT-JOCHJYFZSA-N -1 0 597.049 6.622 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353991 554738997 /nfs/dbraw/zinc/73/89/97/554738997.db2.gz OGHXRBKLOUSPDW-ODCWNRFASA-N -1 0 557.584 5.710 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C(=O)c5ccccc5)cc4)c3=O)n2)cc1 ZINC000101397899 554759177 /nfs/dbraw/zinc/75/91/77/554759177.db2.gz LNSZUSCESBRGPI-MJPNWULPSA-N -1 0 602.632 6.177 50 30 KKEARM CCCCCCCCc1ccc(-c2ccc(-c3cn(/N=C/c4ccccc4)c([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)n3)cc2)cc1 ZINC000101406977 554762174 /nfs/dbraw/zinc/76/21/74/554762174.db2.gz INKPZLYWQPYTIN-AVLPFNLUSA-N -1 0 635.790 8.711 50 30 KKEARM CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000101563960 554797329 /nfs/dbraw/zinc/79/73/29/554797329.db2.gz MNFIJBUBYNSQCZ-YVQDBNNVSA-N -1 0 528.340 5.549 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000101974839 554862875 /nfs/dbraw/zinc/86/28/75/554862875.db2.gz QZYYIJGAOVWKKR-VWLOTQADSA-N -1 0 527.602 5.525 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052406 554871625 /nfs/dbraw/zinc/87/16/25/554871625.db2.gz NDHSEQCYZFUFDA-BNHRFMORSA-N -1 0 587.701 7.478 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052354 554871637 /nfs/dbraw/zinc/87/16/37/554871637.db2.gz WJESBEDJMDTQHC-QNLPTKCRSA-N -1 0 587.701 7.478 50 30 KKEARM COc1cc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1OC ZINC000102052512 554871671 /nfs/dbraw/zinc/87/16/71/554871671.db2.gz YFHKWXPFSVTGQS-XGCWNURASA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052891 554872071 /nfs/dbraw/zinc/87/20/71/554872071.db2.gz ACXNGFUTXGJQKW-ADXZGYQBSA-N -1 0 545.588 5.143 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000102053139 554872102 /nfs/dbraw/zinc/87/21/02/554872102.db2.gz HIWWXBLNAYZBLA-DNOBIOAJSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1C(F)(F)F)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053684 554872399 /nfs/dbraw/zinc/87/23/99/554872399.db2.gz OOVVOURMNDQOJV-LMKMVOKYSA-N -1 0 549.574 6.917 50 30 KKEARM CCCCCCCCCCCCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000102056983 554872881 /nfs/dbraw/zinc/87/28/81/554872881.db2.gz ZXNVBICCNFVJLL-UHFFFAOYSA-N -1 0 515.545 8.832 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1 ZINC000102165930 554890383 /nfs/dbraw/zinc/89/03/83/554890383.db2.gz QCXUFOUWYUJIHY-WJOKGBTCSA-N -1 0 617.864 7.861 50 30 KKEARM CCCCCCCCCCCCCCCc1c/c(=N\NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n(C)c2ccccc12 ZINC000102313252 554910220 /nfs/dbraw/zinc/91/02/20/554910220.db2.gz LCJQVVDTBHSKKR-NWBJSICCSA-N -1 0 597.822 7.070 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2s/c1=N\NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000102313313 554910227 /nfs/dbraw/zinc/91/02/27/554910227.db2.gz REDIEWNBRMNEFX-KTMFPKCZSA-N -1 0 573.825 7.677 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102484691 554938018 /nfs/dbraw/zinc/93/80/18/554938018.db2.gz IICPQWDKFWIODD-LFVOPCPISA-N -1 0 511.353 5.287 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102494413 554940008 /nfs/dbraw/zinc/94/00/08/554940008.db2.gz JLNDGDZSZCFNMI-HOGKFDNTSA-N -1 0 553.409 6.223 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102497818 554941328 /nfs/dbraw/zinc/94/13/28/554941328.db2.gz XGBMXZZBMBSLDT-CZNAVJSXSA-N -1 0 557.628 5.377 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000102502493 554943756 /nfs/dbraw/zinc/94/37/56/554943756.db2.gz BLOZCFPKXTZERA-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102515557 554947815 /nfs/dbraw/zinc/94/78/15/554947815.db2.gz GOOCINJRHRLROQ-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102528015 554952782 /nfs/dbraw/zinc/95/27/82/554952782.db2.gz OKOYKFXVOSPSIW-MOBKVPTQSA-N -1 0 525.413 6.628 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102534259 554955014 /nfs/dbraw/zinc/95/50/14/554955014.db2.gz LDWQDPNADRLBIB-SBXHHDGASA-N -1 0 546.601 5.265 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000102545047 554958685 /nfs/dbraw/zinc/95/86/85/554958685.db2.gz FLIHKECCZYLUMX-NHFXJNLRSA-N -1 0 531.175 5.977 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102544540 554958691 /nfs/dbraw/zinc/95/86/91/554958691.db2.gz ZMAUQISYADBSRA-KYWXLPDZSA-N -1 0 547.976 5.808 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102547607 554959982 /nfs/dbraw/zinc/95/99/82/554959982.db2.gz IZPONIVBIWBCRU-CZNAVJSXSA-N -1 0 613.648 6.050 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102559870 554967200 /nfs/dbraw/zinc/96/72/00/554967200.db2.gz QPEWYZOUVUHSST-NXLSWJSLSA-N -1 0 565.003 5.364 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102562472 554968687 /nfs/dbraw/zinc/96/86/87/554968687.db2.gz DPIIJOYCKVMVNF-IUKMQXEJSA-N -1 0 563.031 6.136 50 30 KKEARM C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574586 554971296 /nfs/dbraw/zinc/97/12/96/554971296.db2.gz JNLZAFHFFATULK-GBIFRDBCSA-N -1 0 578.621 7.177 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102583966 554972795 /nfs/dbraw/zinc/97/27/95/554972795.db2.gz OMZYFVUHTFQBJA-AYWGPLOBSA-N -1 0 596.061 6.020 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102592387 554974139 /nfs/dbraw/zinc/97/41/39/554974139.db2.gz WISVYORFJZHGNZ-SBXHHDGASA-N -1 0 575.643 5.675 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102594321 554975377 /nfs/dbraw/zinc/97/53/77/554975377.db2.gz GDQUFWUIGPSXRB-HOGKFDNTSA-N -1 0 517.887 6.002 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606162 554979047 /nfs/dbraw/zinc/97/90/47/554979047.db2.gz WDEVPHKYIARATE-AREMUKBSSA-N -1 0 557.628 5.534 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102607139 554979845 /nfs/dbraw/zinc/97/98/45/554979845.db2.gz UEVGFXUCYAUHFM-AYWGPLOBSA-N -1 0 579.606 5.506 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102608458 554980515 /nfs/dbraw/zinc/98/05/15/554980515.db2.gz KZGDUITVDOHHDH-NXLSWJSLSA-N -1 0 591.642 5.376 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102610327 554980788 /nfs/dbraw/zinc/98/07/88/554980788.db2.gz VSMFVBKBTCOUAA-SBXHHDGASA-N -1 0 573.652 5.237 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000102614855 554984023 /nfs/dbraw/zinc/98/40/23/554984023.db2.gz BEAOMPVNQLYSQI-IUKMQXEJSA-N -1 0 555.612 5.147 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102617425 554984777 /nfs/dbraw/zinc/98/47/77/554984777.db2.gz OCIPVPXTHYZOLQ-DZTJFIFISA-N -1 0 634.751 6.546 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102619770 554986294 /nfs/dbraw/zinc/98/62/94/554986294.db2.gz PYOSDEBBSLPIEU-UUALVTFQSA-N -1 0 615.733 6.407 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102622253 554987424 /nfs/dbraw/zinc/98/74/24/554987424.db2.gz LOZVACGLHSPDTE-HSZRJFAPSA-N -1 0 567.063 6.328 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102622999 554987698 /nfs/dbraw/zinc/98/76/98/554987698.db2.gz GNWMSTQDUWAUQN-UUALVTFQSA-N -1 0 611.676 6.520 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102624492 554987886 /nfs/dbraw/zinc/98/78/86/554987886.db2.gz OYUVONCGJOAIRR-CZNAVJSXSA-N -1 0 619.696 6.156 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102651519 554996171 /nfs/dbraw/zinc/99/61/71/554996171.db2.gz PGLWOUMMOXGRTE-LXIOPLLASA-N -1 0 581.477 6.952 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102652438 554996546 /nfs/dbraw/zinc/99/65/46/554996546.db2.gz IABWBCMZBFEZJH-VTVSLZSGSA-N -1 0 627.788 7.267 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102652226 554996550 /nfs/dbraw/zinc/99/65/50/554996550.db2.gz IPAUEBUFQPGGIC-XLNMUAQOSA-N -1 0 565.420 6.148 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102655702 554998353 /nfs/dbraw/zinc/99/83/53/554998353.db2.gz ZVQJCOXIKWSBPM-ONQGDUAMSA-N -1 0 614.676 5.769 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102663146 555001080 /nfs/dbraw/zinc/00/10/80/555001080.db2.gz HIIWMOVEWZBIAO-WBMUNJTESA-N -1 0 589.670 5.928 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102665799 555001737 /nfs/dbraw/zinc/00/17/37/555001737.db2.gz OKBVGDJVMRLNSO-DBYMVTKNSA-N -1 0 502.379 5.103 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1cccc(Br)c1 ZINC000102692587 555008775 /nfs/dbraw/zinc/00/87/75/555008775.db2.gz FYKZAQOPNAPUOJ-NPJIAGGLSA-N -1 0 536.422 5.405 50 30 KKEARM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102692960 555008929 /nfs/dbraw/zinc/00/89/29/555008929.db2.gz HQJFCRSKQICZEE-CJJGVWJISA-N -1 0 542.657 6.546 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102696155 555011317 /nfs/dbraw/zinc/01/13/17/555011317.db2.gz KULKPSJHOUBNRM-AYWGPLOBSA-N -1 0 516.550 5.411 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102701780 555013066 /nfs/dbraw/zinc/01/30/66/555013066.db2.gz GJIUGFBHMRLOCA-YDJIHCHBSA-N -1 0 525.449 6.309 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102723526 555020717 /nfs/dbraw/zinc/02/07/17/555020717.db2.gz ZHTGBSWJMBNESI-MRJHHRETSA-N -1 0 504.589 5.333 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770797 555058097 /nfs/dbraw/zinc/05/80/97/555058097.db2.gz POKKWNQXRAOCJH-WGQAXHKASA-N -1 0 551.451 6.861 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770804 555058240 /nfs/dbraw/zinc/05/82/40/555058240.db2.gz MYNPSRVRPGBLNR-NSUOQXISSA-N -1 0 555.414 6.692 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771056 555059480 /nfs/dbraw/zinc/05/94/80/555059480.db2.gz KMCXZOAGTOMQQS-KYWXLPDZSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771316 555060040 /nfs/dbraw/zinc/06/00/40/555060040.db2.gz SIHLOBQMBVIWPL-SOIUSXPSSA-N -1 0 576.099 6.434 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771298 555060047 /nfs/dbraw/zinc/06/00/47/555060047.db2.gz BQXRHKGOCCDQNE-OTQMSCLFSA-N -1 0 590.126 6.742 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000102818556 555076398 /nfs/dbraw/zinc/07/63/98/555076398.db2.gz OMSFGVJTXMEPKB-UHFFFAOYSA-N -1 0 611.189 7.232 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102859638 555090082 /nfs/dbraw/zinc/09/00/82/555090082.db2.gz VIVBKUWHYJSYJJ-AYWGPLOBSA-N -1 0 551.020 5.992 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102860789 555091283 /nfs/dbraw/zinc/09/12/83/555091283.db2.gz UHPSVPVHAUESMW-ZHHPLPSFSA-N -1 0 531.546 5.238 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1 ZINC000102861515 555091507 /nfs/dbraw/zinc/09/15/07/555091507.db2.gz DMPZVAKZBXTWEW-YDJIHCHBSA-N -1 0 550.236 6.668 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1 ZINC000102861517 555091530 /nfs/dbraw/zinc/09/15/30/555091530.db2.gz DMPZVAKZBXTWEW-NHFXJNLRSA-N -1 0 550.236 6.668 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102864379 555093957 /nfs/dbraw/zinc/09/39/57/555093957.db2.gz HRTORXYUFLOANO-MOBKVPTQSA-N -1 0 551.418 5.702 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102866174 555095455 /nfs/dbraw/zinc/09/54/55/555095455.db2.gz DHUNMJDUVGDAGT-NHFXJNLRSA-N -1 0 514.987 5.065 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102866301 555095481 /nfs/dbraw/zinc/09/54/81/555095481.db2.gz RWDZVRALBYPOQJ-HOGKFDNTSA-N -1 0 506.898 5.051 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102866322 555095498 /nfs/dbraw/zinc/09/54/98/555095498.db2.gz VJBHRFFRUDFFDB-GROYHEBESA-N -1 0 503.363 5.171 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102866297 555095566 /nfs/dbraw/zinc/09/55/66/555095566.db2.gz VCBSJWBDZVGMJI-HOGKFDNTSA-N -1 0 538.597 5.491 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102869514 555098781 /nfs/dbraw/zinc/09/87/81/555098781.db2.gz VJHROUKXINXEAE-LODGOHBISA-N -1 0 613.761 6.959 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102872741 555103204 /nfs/dbraw/zinc/10/32/04/555103204.db2.gz CGKLBWYMUDFPHU-SELCWUDQSA-N -1 0 500.935 5.047 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102872974 555103441 /nfs/dbraw/zinc/10/34/41/555103441.db2.gz LHAHKLURDVJANK-JBCNATCCSA-N -1 0 521.392 5.694 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102879536 555108672 /nfs/dbraw/zinc/10/86/72/555108672.db2.gz XDJMBOGDZDFYSN-LFVOPCPISA-N -1 0 547.416 5.488 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102884369 555113198 /nfs/dbraw/zinc/11/31/98/555113198.db2.gz DZOLFQSCZGSZRU-ZHHPLPSFSA-N -1 0 534.977 5.356 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCCC)c2)nc1C ZINC000102884513 555113533 /nfs/dbraw/zinc/11/35/33/555113533.db2.gz PTNPNBJDGREFGC-IUKMQXEJSA-N -1 0 590.654 5.371 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102884586 555113884 /nfs/dbraw/zinc/11/38/84/555113884.db2.gz OTYQBVWJKGCCTI-HAQIDCBSSA-N -1 0 530.577 5.784 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102885042 555115177 /nfs/dbraw/zinc/11/51/77/555115177.db2.gz GTBDSYMWLLANMR-CJJGVWJISA-N -1 0 577.058 6.526 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102885278 555115494 /nfs/dbraw/zinc/11/54/94/555115494.db2.gz FIVLAIXJIVHWCR-SBXHHDGASA-N -1 0 549.004 5.746 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886333 555116697 /nfs/dbraw/zinc/11/66/97/555116697.db2.gz SNPXSSCYTVELPD-ONQGDUAMSA-N -1 0 591.085 6.916 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000102886833 555117485 /nfs/dbraw/zinc/11/74/85/555117485.db2.gz RIECCSSGYSHMBL-MIOXIQPJSA-N -1 0 616.692 6.136 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102887141 555118199 /nfs/dbraw/zinc/11/81/99/555118199.db2.gz NYLLOEADLPERFC-TVXPFAQOSA-N -1 0 603.697 6.318 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1 ZINC000102887279 555118501 /nfs/dbraw/zinc/11/85/01/555118501.db2.gz YHCSAOMNLDRWJU-MOBKVPTQSA-N -1 0 520.588 5.154 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102888148 555120857 /nfs/dbraw/zinc/12/08/57/555120857.db2.gz OWWCEHCYCLULOR-CZNAVJSXSA-N -1 0 598.633 5.215 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102889125 555123102 /nfs/dbraw/zinc/12/31/02/555123102.db2.gz IOBWTTIGQZPOIW-NPJIAGGLSA-N -1 0 608.669 5.213 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889565 555123763 /nfs/dbraw/zinc/12/37/63/555123763.db2.gz MOEWHYVMYSZBCK-QNIVJUIWSA-N -1 0 592.670 5.375 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102890898 555126488 /nfs/dbraw/zinc/12/64/88/555126488.db2.gz XXAALVHKIUZJNO-SBXHHDGASA-N -1 0 578.643 5.205 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891992 555128196 /nfs/dbraw/zinc/12/81/96/555128196.db2.gz IVCUMHFCTVAFEW-FSISNWKMSA-N -1 0 533.005 5.908 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892279 555128466 /nfs/dbraw/zinc/12/84/66/555128466.db2.gz VJEJGLSBEGLNGA-JBODOUGHSA-N -1 0 593.057 5.925 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102892719 555129005 /nfs/dbraw/zinc/12/90/05/555129005.db2.gz YXHABXSFOQDFLG-KNZGKXHUSA-N -1 0 544.560 5.172 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000102895447 555134323 /nfs/dbraw/zinc/13/43/23/555134323.db2.gz JDLZKCFRKQXHFM-NPJIAGGLSA-N -1 0 539.613 5.563 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3F)sc2c1 ZINC000102896178 555136001 /nfs/dbraw/zinc/13/60/01/555136001.db2.gz UEQOURXJOIBYMO-SBXHHDGASA-N -1 0 532.549 5.232 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898251 555138471 /nfs/dbraw/zinc/13/84/71/555138471.db2.gz HWYPPSNSBGXLNK-FSISNWKMSA-N -1 0 533.005 5.908 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899467 555139323 /nfs/dbraw/zinc/13/93/23/555139323.db2.gz SAEVUAAUPQMQLK-YREDKMEYSA-N -1 0 613.761 6.877 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c1 ZINC000102923457 555148091 /nfs/dbraw/zinc/14/80/91/555148091.db2.gz XIJCOHNXXVXJIU-UHFFFAOYSA-N -1 0 556.688 5.306 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102931330 555158726 /nfs/dbraw/zinc/15/87/26/555158726.db2.gz QXSKHKRNEYATMD-HOGKFDNTSA-N -1 0 535.965 5.883 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102934995 555162293 /nfs/dbraw/zinc/16/22/93/555162293.db2.gz UCJDOAPWAOPEQM-NHFXJNLRSA-N -1 0 571.449 5.334 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102935203 555162381 /nfs/dbraw/zinc/16/23/81/555162381.db2.gz UHKBEPRQMGRAAM-YDJIHCHBSA-N -1 0 515.791 6.014 50 30 KKEARM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@]45CCCC[C@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000105295363 571392487 /nfs/dbraw/zinc/39/24/87/571392487.db2.gz JWJQKUXXLPEPJD-RXZBRGEISA-N -1 0 511.625 7.393 50 30 KKEARM COc1ccc(/N=C2/S/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C(=O)N2CC(C)C)cc1 ZINC000105959124 571409615 /nfs/dbraw/zinc/40/96/15/571409615.db2.gz GTWDWPVBWKBHPP-ORGCQWNBSA-N -1 0 516.619 6.232 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000150341116 571458047 /nfs/dbraw/zinc/45/80/47/571458047.db2.gz GZIQRJMRHINDDY-XYGWBWBKSA-N -1 0 677.014 7.051 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150344356 571459259 /nfs/dbraw/zinc/45/92/59/571459259.db2.gz ZTSDOGSKTICNPQ-UHFFFAOYSA-N -1 0 914.134 10.798 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc2)n1 ZINC000150354179 571462983 /nfs/dbraw/zinc/46/29/83/571462983.db2.gz MWLFYAXBWFBOHA-UHFFFAOYSA-N -1 0 617.466 5.757 50 30 KKEARM Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000150355578 571463085 /nfs/dbraw/zinc/46/30/85/571463085.db2.gz LHAOSQMTESAKAI-YPXUMCKCSA-N -1 0 625.795 7.970 50 30 KKEARM CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc([O-])c(Br)c2oc2c(Br)c(=O)ccc1-2 ZINC000150365352 571464568 /nfs/dbraw/zinc/46/45/68/571464568.db2.gz CIRQTSPKAXLQLF-UHFFFAOYSA-N -1 0 742.589 12.214 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)Nc1ccccc1C(F)(F)F ZINC000150366906 571464860 /nfs/dbraw/zinc/46/48/60/571464860.db2.gz OGSMOVUWFAMGRH-VYVUJPJFSA-N -1 0 739.320 7.711 50 30 KKEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000150403153 571478682 /nfs/dbraw/zinc/47/86/82/571478682.db2.gz UJFPCUUZXKLVKE-UHFFFAOYSA-N -1 0 638.624 6.506 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417243 571486215 /nfs/dbraw/zinc/48/62/15/571486215.db2.gz HCAHEUHRPNCUGH-DNNDWWBDSA-N -1 0 643.787 6.886 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418399 571486530 /nfs/dbraw/zinc/48/65/30/571486530.db2.gz JCTKKPYJMAPTQD-FPRSLYQBSA-N -1 0 647.750 6.717 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422320 571488275 /nfs/dbraw/zinc/48/82/75/571488275.db2.gz ZCNQECCZCOAFAV-VEZPTTSMSA-N -1 0 691.803 7.191 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422216 571488306 /nfs/dbraw/zinc/48/83/06/571488306.db2.gz VYDIZMCIRGAMGG-VEZPTTSMSA-N -1 0 667.740 6.946 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCCC)c(OC)c2)nc1C ZINC000150432175 571493794 /nfs/dbraw/zinc/49/37/94/571493794.db2.gz GSRAPVXZKJQMRM-GDLZYMKVSA-N -1 0 648.778 7.334 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150432757 571494384 /nfs/dbraw/zinc/49/43/84/571494384.db2.gz WHMAPQRSNPEHTO-SANMLTNESA-N -1 0 638.739 6.252 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433074 571494480 /nfs/dbraw/zinc/49/44/80/571494480.db2.gz ZYZIQJPQVZUCFM-QFIPXVFZSA-N -1 0 650.905 6.627 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433210 571494559 /nfs/dbraw/zinc/49/45/59/571494559.db2.gz RPRIMFQWZFVAEE-JOCHJYFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435042 571495110 /nfs/dbraw/zinc/49/51/10/571495110.db2.gz PIJNDXLDPVPQAH-VEZPTTSMSA-N -1 0 667.740 6.946 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000150435804 571495720 /nfs/dbraw/zinc/49/57/20/571495720.db2.gz CZRCHTXRGJGTMN-DFXXOVSGSA-N -1 0 642.686 5.613 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439746 571497509 /nfs/dbraw/zinc/49/75/09/571497509.db2.gz OGQOSLZHSITRKY-SZYGQJGOSA-N -1 0 693.803 7.206 50 30 KKEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc4c(c3)C(=O)N(c3ccc(/C=C/C(=O)c5ccccc5)cc3)C4=O)c1)C2=O ZINC000150444120 571499518 /nfs/dbraw/zinc/49/95/18/571499518.db2.gz YKCVVHKNUHEOCR-WOJGMQOQSA-N -1 0 634.600 6.674 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445783 571500661 /nfs/dbraw/zinc/50/06/61/571500661.db2.gz JETAQCNSEVDWLS-DNNDWWBDSA-N -1 0 662.233 7.858 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150445718 571500767 /nfs/dbraw/zinc/50/07/67/571500767.db2.gz QXFMDUZJAZNDKG-WYNCGZBVSA-N -1 0 631.751 7.098 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445866 571500927 /nfs/dbraw/zinc/50/09/27/571500927.db2.gz OFGLHEMHLKWAMY-JVJOXMINSA-N -1 0 632.163 6.998 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457677 571504920 /nfs/dbraw/zinc/50/49/20/571504920.db2.gz HIBLOLNHIVPKHV-XTUFCYCQSA-N -1 0 682.651 8.266 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000150457793 571505025 /nfs/dbraw/zinc/50/50/25/571505025.db2.gz BQOSLCLEHXRQHI-WGGXKBPPSA-N -1 0 635.138 7.315 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457828 571505225 /nfs/dbraw/zinc/50/52/25/571505225.db2.gz NGDBHKLVKGCDLV-HWTUVFLMSA-N -1 0 678.232 7.621 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457973 571505347 /nfs/dbraw/zinc/50/53/47/571505347.db2.gz LCLFXFGTOJEZFG-VXJPNWOUSA-N -1 0 643.787 6.968 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459191 571505692 /nfs/dbraw/zinc/50/56/92/571505692.db2.gz DKYTYDLUXGBXFD-NBXYUPGTSA-N -1 0 665.768 7.498 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461172 571506370 /nfs/dbraw/zinc/50/63/70/571506370.db2.gz MCJRIDKPEDKFFD-LHKMDIPOSA-N -1 0 696.678 8.656 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463167 571507073 /nfs/dbraw/zinc/50/70/73/571507073.db2.gz IDKBOMZMDYJKGY-QJGFIUGVSA-N -1 0 662.233 7.858 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463440 571507178 /nfs/dbraw/zinc/50/71/78/571507178.db2.gz GWEAJFAZYLBVED-RVKWYQKSSA-N -1 0 663.821 8.112 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463521 571507232 /nfs/dbraw/zinc/50/72/32/571507232.db2.gz KLHFHAIGLXADFB-VXJPNWOUSA-N -1 0 645.778 7.344 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463442 571507253 /nfs/dbraw/zinc/50/72/53/571507253.db2.gz GWEAJFAZYLBVED-RDGASKBCSA-N -1 0 663.821 8.112 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463403 571507306 /nfs/dbraw/zinc/50/73/06/571507306.db2.gz NAZIKHTWASDAMV-ZCCBWQDPSA-N -1 0 685.868 8.056 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464011 571507682 /nfs/dbraw/zinc/50/76/82/571507682.db2.gz DXVHJJDRGKOWGR-MEDZALOKSA-N -1 0 623.481 5.731 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471591 571509625 /nfs/dbraw/zinc/50/96/25/571509625.db2.gz NKLITVLXWCXDHB-HWTUVFLMSA-N -1 0 678.232 7.621 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471589 571509739 /nfs/dbraw/zinc/50/97/39/571509739.db2.gz NKLITVLXWCXDHB-QMDVFYPZSA-N -1 0 678.232 7.621 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484758 571515324 /nfs/dbraw/zinc/51/53/24/571515324.db2.gz PDEIGHZULVIIMG-MIOXIQPJSA-N -1 0 659.786 6.724 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150486369 571516429 /nfs/dbraw/zinc/51/64/29/571516429.db2.gz WGGTVAGDGFMINY-VDGASQMCSA-N -1 0 726.704 8.665 50 30 KKEARM Cc1cccc(OS(=O)(=O)c2ccc3c(c2)/C(=N/[O-])c2cc(S(=O)(=O)Oc4ccccc4C)ccc2-3)c1 ZINC000198698774 571568541 /nfs/dbraw/zinc/56/85/41/571568541.db2.gz HQGFVIWLOLEIQX-DQSJHHFOSA-N -1 0 535.599 5.046 50 30 KKEARM COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=C([O-])C1=O ZINC000217964412 571602778 /nfs/dbraw/zinc/60/27/78/571602778.db2.gz DWTYUANUZXYXKT-ZEQRLZLVSA-N -1 0 720.900 8.057 50 30 biogenic KKEARM COc1cc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc(OC)c1OC ZINC000263585357 572118318 /nfs/dbraw/zinc/11/83/18/572118318.db2.gz HTPBJWRGJYZCOD-AYUJEJKZSA-N -1 0 568.534 5.728 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(Nc3cccc(Cl)c3)C4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245226476 572203969 /nfs/dbraw/zinc/20/39/69/572203969.db2.gz YYOPFXIZVRDTNC-QHWMJAGHSA-N -1 0 821.320 5.724 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(N3CCOCC3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000245240423 572213778 /nfs/dbraw/zinc/21/37/78/572213778.db2.gz RKWNQZAGHWKBAH-SSEVTLNUSA-N -1 0 820.933 5.089 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000252441257 572260922 /nfs/dbraw/zinc/26/09/22/572260922.db2.gz MISRCEKKHJVMIX-QGUWLPIISA-N -1 0 574.718 5.504 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000252461215 572261195 /nfs/dbraw/zinc/26/11/95/572261195.db2.gz LKDIODLSLFBMNB-UHFFFAOYSA-N -1 0 561.421 6.008 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000252460866 572261202 /nfs/dbraw/zinc/26/12/02/572261202.db2.gz IRCKBUMFIGULOS-UHFFFAOYSA-N -1 0 577.420 5.708 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(C3(c4ccc(N=Cc5cc([N+](=O)[O-])ccc5[O-])cc4)c4ccccc4-c4ccccc43)cc2)c1 ZINC000252459946 572261206 /nfs/dbraw/zinc/26/12/06/572261206.db2.gz AITRIMUKCVUSEG-UHFFFAOYSA-N -1 0 646.659 8.779 50 30 KKEARM Cc1cc(C)c(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000252460241 572261233 /nfs/dbraw/zinc/26/12/33/572261233.db2.gz CVWPELNPZDGMIA-UHFFFAOYSA-N -1 0 510.579 5.863 50 30 KKEARM Cc1ccc2nc(-c3cc(N=Cc4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3[O-])oc2c1 ZINC000252590706 572266674 /nfs/dbraw/zinc/26/66/74/572266674.db2.gz AVDFKEYQJJDJHG-UHFFFAOYSA-N -1 0 517.368 7.785 50 30 KKEARM Cc1cccc(C)c1N=C1S/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1c(C)cccc1C ZINC000252597002 572266982 /nfs/dbraw/zinc/26/69/82/572266982.db2.gz CNKQRYJQNOUDLX-ZJCLCAEHSA-N -1 0 541.898 7.850 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000252608331 572268081 /nfs/dbraw/zinc/26/80/81/572268081.db2.gz HJHFTBKAIXUWKR-XEOSYTLBSA-N -1 0 540.277 6.186 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000252612696 572268420 /nfs/dbraw/zinc/26/84/20/572268420.db2.gz IUSZSVVKDOQIEC-UHFFFAOYSA-N -1 0 532.423 5.800 50 30 KKEARM CC(C)(C)c1csc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccccc3C(=O)N3CCCCC3)c2=O)n1 ZINC000252617657 572269035 /nfs/dbraw/zinc/26/90/35/572269035.db2.gz KXXAXRSLANRVJV-UHFFFAOYSA-N -1 0 559.652 5.194 50 30 KKEARM CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1 ZINC000252620487 572269387 /nfs/dbraw/zinc/26/93/87/572269387.db2.gz MEYCXOYFLJPZOT-FXALAWDZSA-N -1 0 546.601 5.383 50 30 KKEARM CCc1ccc2oc(-c3cc(N=Cc4c(O)c(OC)cc(Br)c4Br)ccc3[O-])nc2c1 ZINC000252623458 572270033 /nfs/dbraw/zinc/27/00/33/572270033.db2.gz ORYXRYJLWMUVRW-UHFFFAOYSA-N -1 0 546.215 6.753 50 30 KKEARM CCc1ccccc1N=C1S/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N1c1ccccc1CC ZINC000252630133 572271340 /nfs/dbraw/zinc/27/13/40/572271340.db2.gz UVFKTWWAIZOZPL-YCBRDWMHSA-N -1 0 537.479 7.097 50 30 KKEARM Cc1ccccc1N=C1S/C(=C\c2c(Br)cc(Br)c([O-])c2Br)C(=O)N1c1ccccc1C ZINC000252633757 572271722 /nfs/dbraw/zinc/27/17/22/572271722.db2.gz WGEUBCWNDCNCGH-AWCVCBGZSA-N -1 0 637.191 8.105 50 30 KKEARM Cc1cc(C)n(-c2nc(N=NCc3cc(Br)cc([N+](=O)[O-])c3[O-])nc(Nc3ccc(Br)cc3)n2)n1 ZINC000252635039 572271762 /nfs/dbraw/zinc/27/17/62/572271762.db2.gz WTUGHCGIIXYSAD-UHFFFAOYSA-N -1 0 603.235 5.003 50 30 KKEARM Cc1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(N=Cc2cc(Br)ccc2O)c1 ZINC000252679853 572281441 /nfs/dbraw/zinc/28/14/41/572281441.db2.gz SDOUSYDPCPDKSX-UHFFFAOYSA-N -1 0 516.264 5.682 50 30 KKEARM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@](C)(CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]43C)[C@H]21 ZINC000253387671 572282661 /nfs/dbraw/zinc/28/26/61/572282661.db2.gz SEOJRLKLAQEBSW-WYYALNJPSA-N -1 0 631.898 7.386 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)C1=O)O2 ZINC000253404990 572286108 /nfs/dbraw/zinc/28/61/08/572286108.db2.gz IBBWXKCKNQRBHV-REPDSUPQSA-N -1 0 562.622 5.472 50 30 KKEARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccc4c(c3)OCCO4)C5=O)o2)cc1 ZINC000253407817 572286882 /nfs/dbraw/zinc/28/68/82/572286882.db2.gz KFDMSDYLRRDLBP-ANRZFROFSA-N -1 0 536.492 5.473 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](c3c(C)[nH]c4ccccc43)c3ccccc3)C1=O)O2 ZINC000253415048 572289216 /nfs/dbraw/zinc/28/92/16/572289216.db2.gz ZLDDHSFVIDXEAG-QVYSEMLRSA-N -1 0 576.649 5.780 50 30 KKEARM CC1(C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](CO)O2)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C ZINC000253487743 572290749 /nfs/dbraw/zinc/29/07/49/572290749.db2.gz PFEQIEUTCKQPGL-SQMZAIOVSA-N -1 0 616.836 5.266 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000253501578 572294781 /nfs/dbraw/zinc/29/47/81/572294781.db2.gz IMNYBTVHQUPUHM-OIYJZZISSA-N -1 0 534.524 6.555 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000253504274 572296521 /nfs/dbraw/zinc/29/65/21/572296521.db2.gz BCBXQCAEFQEDQZ-HVYVSMCVSA-N -1 0 584.838 7.984 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505581 572297055 /nfs/dbraw/zinc/29/70/55/572297055.db2.gz LDEPIPTXRUTPCM-YUEXPFQVSA-N -1 0 559.707 5.142 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253522769 572297831 /nfs/dbraw/zinc/29/78/31/572297831.db2.gz QUVDNQFOKKUKAA-HCDRYLODSA-N -1 0 584.838 7.984 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000253522770 572297847 /nfs/dbraw/zinc/29/78/47/572297847.db2.gz QUVDNQFOKKUKAA-HVYVSMCVSA-N -1 0 584.838 7.984 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533708 572299564 /nfs/dbraw/zinc/29/95/64/572299564.db2.gz QEJFEIOBCOMMKR-MWTXYGHCSA-N -1 0 609.720 5.041 50 30 KKEARM Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Nc3ccc(N=Cc4cc([N+](=O)[O-])ccc4[O-])cc3)c2)cc1 ZINC000254838412 572303706 /nfs/dbraw/zinc/30/37/06/572303706.db2.gz MGGCVYXREGKWFR-UHFFFAOYSA-N -1 0 670.563 8.411 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)[C@H]1c1ccccc1 ZINC000101055243 1069768979 /nfs/dbraw/zinc/76/89/79/1069768979.db2.gz NSSMEGKABSENDU-LCTXSJEWSA-N -1 0 574.272 7.769 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)[C@@H]1c1ccccc1 ZINC000101055247 1069768992 /nfs/dbraw/zinc/76/89/92/1069768992.db2.gz NSSMEGKABSENDU-CSHPTOAJSA-N -1 0 574.272 7.769 50 30 KKEARM CCCCCCCCCCCCCCCCCC(=O)CC(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000103001394 1070932413 /nfs/dbraw/zinc/93/24/13/1070932413.db2.gz PHKOYZGZBGOCJT-UHFFFAOYSA-N -1 0 537.741 9.336 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089279 1071059137 /nfs/dbraw/zinc/05/91/37/1071059137.db2.gz SDLLZQLFPYRLFM-YLVLETGVSA-N -1 0 610.999 5.397 50 30 KKEARM CCCCCCCCOc1ccc([C@H](CC(=O)OC)C2C(=O)C(=O)C([C@@H](CC(=O)OC)c3ccc(OCCCCCCCC)cc3)=C([O-])C2=O)cc1 ZINC000217940429 1071294067 /nfs/dbraw/zinc/29/40/67/1071294067.db2.gz GPHLLQKPQKUOBL-HEVIKAOCSA-N -1 0 720.900 8.935 50 30 biogenic KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000254382424 1072850355 /nfs/dbraw/zinc/85/03/55/1072850355.db2.gz VXSVPBOEAKNILB-UHFFFAOYSA-N -1 0 548.606 5.226 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 ZINC000254406236 1072853918 /nfs/dbraw/zinc/85/39/18/1072853918.db2.gz UBDNOEQFPOLXIT-UHFFFAOYSA-N -1 0 562.604 5.438 50 30 KKEARM O=[N+]([O-])c1cccc(/C=N/c2cccc(Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCOCC4)n3)c2)c1[O-] ZINC000068572909 1072901053 /nfs/dbraw/zinc/90/10/53/1072901053.db2.gz JMFVXSIUYGDCHO-STKMKYKTSA-N -1 0 588.628 6.286 50 30 KKEARM CC(C)(C)[N-]C(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000068576243 1072901545 /nfs/dbraw/zinc/90/15/45/1072901545.db2.gz LPRQMJOAXBSUJI-POYBYMJQSA-N -1 0 551.193 5.774 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533245 195477330 /nfs/dbraw/zinc/47/73/30/195477330.db2.gz DUFLDRKJKWPJLH-VFHZMLOXSA-N -1 0 570.771 5.692 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000000631140 551505032 /nfs/dbraw/zinc/50/50/32/551505032.db2.gz BAJJUBNZLDBFLH-IBGZPJMESA-N -1 0 512.971 5.073 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000000631202 551505097 /nfs/dbraw/zinc/50/50/97/551505097.db2.gz OZHSRUUCOUHZSO-LJQANCHMSA-N -1 0 541.423 5.482 50 30 KKEARM Cc1ccc(COc2ccc(Br)cc2C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1 ZINC000000660412 551516073 /nfs/dbraw/zinc/51/60/73/551516073.db2.gz ULKVTNIVPVXYQF-UHFFFAOYSA-N -1 0 550.449 5.835 50 30 KKEARM O=C([O-])c1ccc(COc2c(Cl)cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)cc2Cl)cc1 ZINC000000662547 551516182 /nfs/dbraw/zinc/51/61/82/551516182.db2.gz WMMUFXBGCRRXIW-UHFFFAOYSA-N -1 0 512.389 5.972 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000000702933 551529874 /nfs/dbraw/zinc/52/98/74/551529874.db2.gz VXLQDMURVMMGME-FQEVSTJZSA-N -1 0 537.391 5.946 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@H](c4cccc(Br)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000717165 551534626 /nfs/dbraw/zinc/53/46/26/551534626.db2.gz WTLQHBFCCMRDFC-DFXYEROKSA-N -1 0 559.460 6.523 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc(Br)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000717169 551534690 /nfs/dbraw/zinc/53/46/90/551534690.db2.gz WTLQHBFCCMRDFC-URAOTHONSA-N -1 0 559.460 6.523 50 30 KKEARM CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000728520 551538896 /nfs/dbraw/zinc/53/88/96/551538896.db2.gz RATGILKHGUOGSA-NFQMXDRXSA-N -1 0 502.567 5.538 50 30 KKEARM CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OCC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001077440 551604884 /nfs/dbraw/zinc/60/48/84/551604884.db2.gz GLNIPDWENLHMFW-LBEKAKSKSA-N -1 0 545.592 6.086 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c([C@@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000001087294 551606638 /nfs/dbraw/zinc/60/66/38/551606638.db2.gz QLCSZHOXWNOXHE-YADHBBJMSA-N -1 0 520.412 5.367 50 30 KKEARM CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3)C2)cc1 ZINC000001248370 551632007 /nfs/dbraw/zinc/63/20/07/551632007.db2.gz WKMLAVZSZNFSEK-IANOAQMISA-N -1 0 537.660 6.298 50 30 KKEARM C=CCn1c([N-]S(=O)(=O)c2ccc(Br)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000001262503 551633709 /nfs/dbraw/zinc/63/37/09/551633709.db2.gz BOEXJQSUXRWLQJ-UHFFFAOYSA-N -1 0 597.516 5.475 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001321714 551641814 /nfs/dbraw/zinc/64/18/14/551641814.db2.gz KDEJRUYPPHGUQM-UVDDSOTQSA-N -1 0 554.599 5.247 50 30 biogenic KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001408996 551663679 /nfs/dbraw/zinc/66/36/79/551663679.db2.gz ZWCCIAFPQROLIE-WKRVVKTRSA-N -1 0 510.590 5.769 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001408998 551663710 /nfs/dbraw/zinc/66/37/10/551663710.db2.gz ZWCCIAFPQROLIE-UGDMGKLASA-N -1 0 510.590 5.769 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409611 551664213 /nfs/dbraw/zinc/66/42/13/551664213.db2.gz JHHHAPPYPUVOJT-IIMAJNMQSA-N -1 0 515.009 6.414 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001450604 551675614 /nfs/dbraw/zinc/67/56/14/551675614.db2.gz PYIIPDYLNWEYOD-FQEVSTJZSA-N -1 0 509.381 5.997 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457408 551677025 /nfs/dbraw/zinc/67/70/25/551677025.db2.gz PQRIYVITRYNSCS-UKPGIYTDSA-N -1 0 526.589 5.469 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000001457464 551677079 /nfs/dbraw/zinc/67/70/79/551677079.db2.gz BGNYIUFAMQMHFF-NHRFMIRVSA-N -1 0 552.671 6.758 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1 ZINC000001457555 551677086 /nfs/dbraw/zinc/67/70/86/551677086.db2.gz MLQHAYFWNWAGKS-XBBWARJSSA-N -1 0 516.619 5.831 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480166 551681445 /nfs/dbraw/zinc/68/14/45/551681445.db2.gz ZHJBYYWQNTUAPA-IBGZPJMESA-N -1 0 527.421 5.912 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480815 551681837 /nfs/dbraw/zinc/68/18/37/551681837.db2.gz XXEQBXABASDEGK-HSZRJFAPSA-N -1 0 550.564 5.253 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000001752997 551693602 /nfs/dbraw/zinc/69/36/02/551693602.db2.gz WUUYWHBJBCXJEU-FQEVSTJZSA-N -1 0 560.242 6.280 50 30 KKEARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1/N=C/c1c2c(cc([N+](=O)[O-])c1[O-])oc1c2CCCC1 ZINC000001770440 551696068 /nfs/dbraw/zinc/69/60/68/551696068.db2.gz PGJRQXFPIYUYJS-VFLNYLIXSA-N -1 0 518.591 7.198 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])ccc3o2)cc1Br ZINC000001882910 551724619 /nfs/dbraw/zinc/72/46/19/551724619.db2.gz PEGUMSLPIJYIGE-AUEPDCJTSA-N -1 0 513.260 5.539 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001922742 551734497 /nfs/dbraw/zinc/73/44/97/551734497.db2.gz CRMRUXIHKMGKGR-YSURURNPSA-N -1 0 506.581 7.129 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1)c1ccccc1Cl ZINC000001955299 551735767 /nfs/dbraw/zinc/73/57/67/551735767.db2.gz RBMOGSVZIBYGDR-BHGWPJFGSA-N -1 0 508.597 6.574 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3o2)cc1Br ZINC000002071552 551747364 /nfs/dbraw/zinc/74/73/64/551747364.db2.gz MVESQLKMDCPAII-YSURURNPSA-N -1 0 547.159 6.393 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000002071558 551747400 /nfs/dbraw/zinc/74/74/00/551747400.db2.gz LGPIUNARGVFYDA-YCPBAFNGSA-N -1 0 543.575 7.516 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(O)c(I)c3)S/C2=N\c2ccccc2)cc1 ZINC000002089223 551758323 /nfs/dbraw/zinc/75/83/23/551758323.db2.gz PFFWCQPOOTXNED-SVKHOINDSA-N -1 0 556.381 5.499 50 30 KKEARM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)c([O-])c(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002093047 551759730 /nfs/dbraw/zinc/75/97/30/551759730.db2.gz IMKSZOXZKGNASH-PJRYGUNSSA-N -1 0 586.349 7.851 50 30 KKEARM CCOC(=O)CCc1cc(/N=C/c2ccc(Cl)c(Cl)c2)c([O-])c(/N=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000002160724 551780579 /nfs/dbraw/zinc/78/05/79/551780579.db2.gz USUVHZNXWHEFLR-HNZHSOEWSA-N -1 0 538.258 8.003 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002347583 552099150 /nfs/dbraw/zinc/09/91/50/552099150.db2.gz NLUPWCBZHLVZQB-CGOBSMCZSA-N -1 0 523.037 5.653 50 30 KKEARM Cc1cccc(OS(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)Oc4cccc(C)c4)ccc2-3)c1 ZINC000003074692 552285316 /nfs/dbraw/zinc/28/53/16/552285316.db2.gz JJLHOPCJFFZLFV-UHFFFAOYSA-N -1 0 535.599 5.046 50 30 KKEARM O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)c([N+](=O)[O-])c1 ZINC000003084920 552286038 /nfs/dbraw/zinc/28/60/38/552286038.db2.gz XPLVBYYJTIFBNY-JFLMPSFJSA-N -1 0 512.503 7.028 50 30 KKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003087776 552286429 /nfs/dbraw/zinc/28/64/29/552286429.db2.gz XDXXREIRLUWTJM-KIBLKLHPSA-N -1 0 500.736 6.892 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc(I)c4[O-])cc3o2)cc1 ZINC000003102924 552288216 /nfs/dbraw/zinc/28/82/16/552288216.db2.gz NMCVLVYJRJDZJU-UVHMKAGCSA-N -1 0 530.793 7.507 50 30 KKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c([O-])c1Br ZINC000003114168 552290099 /nfs/dbraw/zinc/29/00/99/552290099.db2.gz OXTUHUBOYWJHIP-OXUBWTJQSA-N -1 0 508.174 7.776 50 30 KKEARM Cc1cccc2oc(-c3ccc(/N=C/c4cc(Br)c([O-])c(Br)c4O)cc3)nc21 ZINC000003114057 552290117 /nfs/dbraw/zinc/29/01/17/552290117.db2.gz OTPAQVVNTZOOQE-YSURURNPSA-N -1 0 502.162 6.490 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003114050 552290149 /nfs/dbraw/zinc/29/01/49/552290149.db2.gz QVBATKIBXARODI-YCPBAFNGSA-N -1 0 541.026 7.783 50 30 KKEARM [O-]c1c(I)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000003169712 552299042 /nfs/dbraw/zinc/29/90/42/552299042.db2.gz RDKYWBNNWMAFON-UVHMKAGCSA-N -1 0 524.745 7.362 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)NCCOc1ccccc1 ZINC000003668525 552409980 /nfs/dbraw/zinc/40/99/80/552409980.db2.gz SOWPAEQHOXLRDB-XODNFHPESA-N -1 0 532.474 6.347 50 30 KKEARM NC(=S)N/N=C(/C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000004015167 552426428 /nfs/dbraw/zinc/42/64/28/552426428.db2.gz LQGAGIHLQFSHML-QJWUNRDJSA-N -1 0 598.522 6.688 50 30 KKEARM NC(=S)N/N=C(/C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000004015166 552426526 /nfs/dbraw/zinc/42/65/26/552426526.db2.gz LQGAGIHLQFSHML-LXSQCAMCSA-N -1 0 598.522 6.688 50 30 KKEARM N#C[C@H](C(=O)c1nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)nc(N)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005345106 552497911 /nfs/dbraw/zinc/49/79/11/552497911.db2.gz OASFEBMCGMZGPW-SANMLTNESA-N -1 0 716.632 6.450 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355214 552498519 /nfs/dbraw/zinc/49/85/19/552498519.db2.gz HJEJVGHMGKXDLQ-XMMPIXPASA-N -1 0 562.644 5.683 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355640 552498891 /nfs/dbraw/zinc/49/88/91/552498891.db2.gz VISQEGCSWZUJIJ-HSZRJFAPSA-N -1 0 550.633 5.599 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000005355513 552498913 /nfs/dbraw/zinc/49/89/13/552498913.db2.gz YDFCSPCIQSDDRM-SFHVURJKSA-N -1 0 572.393 5.082 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C ZINC000005355577 552499043 /nfs/dbraw/zinc/49/90/43/552499043.db2.gz ZJMNTAIQMFXJSG-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC=C)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005357290 552499676 /nfs/dbraw/zinc/49/96/76/552499676.db2.gz RWJVTNXHKHVYCF-RUZDIDTESA-N -1 0 574.655 5.849 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000005357427 552499703 /nfs/dbraw/zinc/49/97/03/552499703.db2.gz YATAZRHRDZEMHG-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000005927679 552513078 /nfs/dbraw/zinc/51/30/78/552513078.db2.gz WKLUHGOCNWUOCW-JOCHJYFZSA-N -1 0 553.036 5.938 50 30 KKEARM CCC(=C(O)NC(=Nc1nc(=O)cc(CSc2ccc(C)cc2)[n-]1)Nc1cccc2ccccc21)c1ccccc1 ZINC000005928232 552513118 /nfs/dbraw/zinc/51/31/18/552513118.db2.gz ILSLPBQIRDZGAG-HHHXNRCGSA-N -1 0 561.711 7.124 50 30 KKEARM Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006146522 552548289 /nfs/dbraw/zinc/54/82/89/552548289.db2.gz MZFRPVSKSAKCGA-UHFFFAOYSA-N -1 0 599.644 5.313 50 30 KKEARM COc1cccc(-n2c([N-]S(=O)(=O)c3ccc(C)cc3)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000006146725 552548550 /nfs/dbraw/zinc/54/85/50/552548550.db2.gz JVYUCEVWRQEEJK-UHFFFAOYSA-N -1 0 577.666 6.196 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006150603 552551420 /nfs/dbraw/zinc/55/14/20/552551420.db2.gz CMOHWWCDKQAUHM-XMMPIXPASA-N -1 0 575.624 5.284 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000006150606 552551436 /nfs/dbraw/zinc/55/14/36/552551436.db2.gz ZHZRYSKJTKPGCJ-QHCPKHFHSA-N -1 0 579.587 5.115 50 30 KKEARM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006212975 552570649 /nfs/dbraw/zinc/57/06/49/552570649.db2.gz QRZCTDCDDZWZSA-QHCPKHFHSA-N -1 0 593.639 5.558 50 30 KKEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)cc2)c1C ZINC000006229141 552571550 /nfs/dbraw/zinc/57/15/50/552571550.db2.gz JDQMEBXDMUJERA-UHFFFAOYSA-N -1 0 593.634 5.837 50 30 KKEARM O=C(N/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006250974 552575515 /nfs/dbraw/zinc/57/55/15/552575515.db2.gz NHAWLRRWSCFSSO-UHFFFAOYSA-N -1 0 549.450 5.780 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000006282456 552577716 /nfs/dbraw/zinc/57/77/16/552577716.db2.gz QUTURZRMMJZCGE-QFIPXVFZSA-N -1 0 562.338 6.268 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000008383353 552986165 /nfs/dbraw/zinc/98/61/65/552986165.db2.gz OOWXFXXAYYHXBR-VWLOTQADSA-N -1 0 633.679 6.524 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008384055 552988748 /nfs/dbraw/zinc/98/87/48/552988748.db2.gz QNERLTIGPVOALI-HSZRJFAPSA-N -1 0 628.946 8.320 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1O ZINC000008384060 552988798 /nfs/dbraw/zinc/98/87/98/552988798.db2.gz QWFKBEYTFLQWEP-XMMPIXPASA-N -1 0 606.081 6.727 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000008397528 552996879 /nfs/dbraw/zinc/99/68/79/552996879.db2.gz LKDIODLSLFBMNB-BYNJWEBRSA-N -1 0 561.421 6.008 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000008398103 552998326 /nfs/dbraw/zinc/99/83/26/552998326.db2.gz VEGCJRPMOGORKG-QOMWVZHYSA-N -1 0 622.071 6.101 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000008399214 553000559 /nfs/dbraw/zinc/00/05/59/553000559.db2.gz GAFRLZYSMMBIDT-NUAXNDHMSA-N -1 0 544.467 8.103 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008437907 553032470 /nfs/dbraw/zinc/03/24/70/553032470.db2.gz ZRGVOAFMKKXPRB-UHFFFAOYSA-N -1 0 657.001 7.460 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccc(OCc3ccccc3)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441251 553040033 /nfs/dbraw/zinc/04/00/33/553040033.db2.gz SEPHFPFVQVPFNV-PMERELPUSA-N -1 0 631.735 7.939 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441776 553042237 /nfs/dbraw/zinc/04/22/37/553042237.db2.gz CBQSKATXXRJBFR-VWLOTQADSA-N -1 0 581.700 7.574 50 30 KKEARM CC(N=Nc1nc(-c2cc(Br)cc(Br)c2[O-])nc2ccccc21)c1ccc(I)cc1 ZINC000008444962 553052744 /nfs/dbraw/zinc/05/27/44/553052744.db2.gz VYIRZVVCHPYFKT-KVSWJAHQSA-N -1 0 638.101 6.968 50 30 KKEARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695608 553122484 /nfs/dbraw/zinc/12/24/84/553122484.db2.gz YMRQHZCVMINGGF-URAOTHONSA-N -1 0 515.009 6.414 50 30 KKEARM O=S(=O)(N=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1)c1ccc(Br)cc1 ZINC000008757353 553136510 /nfs/dbraw/zinc/13/65/10/553136510.db2.gz VTPLQLFEYUAJEQ-UHFFFAOYSA-N -1 0 500.201 5.709 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000008845611 553165801 /nfs/dbraw/zinc/16/58/01/553165801.db2.gz SKHBSODXKMLHIP-DEOSSOPVSA-N -1 0 515.566 5.656 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1 ZINC000008892675 553176716 /nfs/dbraw/zinc/17/67/16/553176716.db2.gz AIEWEWZERRYHON-OAQYLSRUSA-N -1 0 522.554 5.115 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934727 553193225 /nfs/dbraw/zinc/19/32/25/553193225.db2.gz FVUHTURHNCUVEY-QFIPXVFZSA-N -1 0 503.511 5.689 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008973892 553195456 /nfs/dbraw/zinc/19/54/56/553195456.db2.gz MNJZZMLMSKRKET-QFIPXVFZSA-N -1 0 508.958 6.270 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009007494 553198145 /nfs/dbraw/zinc/19/81/45/553198145.db2.gz BLLCAAKLPJPAKS-QFIPXVFZSA-N -1 0 508.958 6.270 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000009019168 553201026 /nfs/dbraw/zinc/20/10/26/553201026.db2.gz QOIIOCMGPOGDHM-UVDDSOTQSA-N -1 0 510.590 5.769 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009045259 553203332 /nfs/dbraw/zinc/20/33/32/553203332.db2.gz KJRFSMYJLJNUJM-KRWDZBQOSA-N -1 0 503.363 5.328 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009046523 553204012 /nfs/dbraw/zinc/20/40/12/553204012.db2.gz ULLRWUDIIJGLBZ-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000009046670 553204292 /nfs/dbraw/zinc/20/42/92/553204292.db2.gz GTWXQOQQJNXUCN-HXUWFJFHSA-N -1 0 509.381 6.052 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009046807 553204324 /nfs/dbraw/zinc/20/43/24/553204324.db2.gz MSOXDUTYDXVVOT-GOSISDBHSA-N -1 0 500.935 5.204 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(Cl)c3)[C@@H]2c2ccccc2)nc1C ZINC000009071857 553207096 /nfs/dbraw/zinc/20/70/96/553207096.db2.gz MQJKPTWKTSRCRV-IBGZPJMESA-N -1 0 512.971 5.073 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(O)c2)s1 ZINC000009123949 553212557 /nfs/dbraw/zinc/21/25/57/553212557.db2.gz JEKRKRORVXBNSB-XMMPIXPASA-N -1 0 513.575 5.222 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009175902 553216183 /nfs/dbraw/zinc/21/61/83/553216183.db2.gz IMBUGKNWDUTYKL-OAQYLSRUSA-N -1 0 505.483 5.135 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009186693 553217637 /nfs/dbraw/zinc/21/76/37/553217637.db2.gz LPBRTDXWVWMSDL-NRFANRHFSA-N -1 0 508.502 5.375 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccnc2)cc1 ZINC000009192934 553218965 /nfs/dbraw/zinc/21/89/65/553218965.db2.gz WPCTYBLOLQIKOC-NRFANRHFSA-N -1 0 500.605 5.317 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2cccnc2)C1=C([O-])c1ccccc1 ZINC000009243814 553227018 /nfs/dbraw/zinc/22/70/18/553227018.db2.gz PXUUPWJANFPSLX-FQEVSTJZSA-N -1 0 504.568 5.147 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009275211 553232772 /nfs/dbraw/zinc/23/27/72/553232772.db2.gz KJUCAXQWXAIMBW-IBGZPJMESA-N -1 0 511.353 5.443 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009358001 553247214 /nfs/dbraw/zinc/24/72/14/553247214.db2.gz VZUNBCUNPLCRAE-KRWDZBQOSA-N -1 0 503.363 5.328 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009357817 553247256 /nfs/dbraw/zinc/24/72/56/553247256.db2.gz PIQUVSOCKJPPCR-QHCPKHFHSA-N -1 0 513.468 5.514 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccncc2)o1 ZINC000009358463 553247455 /nfs/dbraw/zinc/24/74/55/553247455.db2.gz MTPRQYFSAUNLFQ-HXUWFJFHSA-N -1 0 504.593 5.218 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccncc2)o1 ZINC000009358467 553247579 /nfs/dbraw/zinc/24/75/79/553247579.db2.gz MTPRQYFSAUNLFQ-FQEVSTJZSA-N -1 0 504.593 5.218 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000009370594 553250074 /nfs/dbraw/zinc/25/00/74/553250074.db2.gz VUUPIFWUJVYFIC-FQEVSTJZSA-N -1 0 509.356 5.981 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009375232 553251164 /nfs/dbraw/zinc/25/11/64/553251164.db2.gz FMCAHRZBVSLDDY-HSZRJFAPSA-N -1 0 504.564 5.778 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccccc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000009424031 553258285 /nfs/dbraw/zinc/25/82/85/553258285.db2.gz GXMFFIMINLHFOU-QFIPXVFZSA-N -1 0 504.951 5.504 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccs2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000009459771 553266725 /nfs/dbraw/zinc/26/67/25/553266725.db2.gz WAWQAUIJEUSICR-HXUWFJFHSA-N -1 0 510.980 5.565 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)cc3)cc2)c1 ZINC000009461107 553267306 /nfs/dbraw/zinc/26/73/06/553267306.db2.gz ZRTMNKUCVAVMFN-XMMPIXPASA-N -1 0 517.006 6.467 50 30 KKEARM COc1ccc(CON=CNC([O-])=C(c2ccc(Cl)cc2)c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000012952071 553428701 /nfs/dbraw/zinc/42/87/01/553428701.db2.gz VPBVICVEXYGEDG-JOCHJYFZSA-N -1 0 528.918 5.719 50 30 KKEARM CC(C)(C)c1csc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccccc3C(F)(F)F)c2=O)n1 ZINC000013894955 553494538 /nfs/dbraw/zinc/49/45/38/553494538.db2.gz FNTDKGSARWUEIW-CEUNXORHSA-N -1 0 516.505 5.587 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cccc(C)c4)c3=O)n2)cc1 ZINC000013940460 553496339 /nfs/dbraw/zinc/49/63/39/553496339.db2.gz ILWLGDZIVYIVOU-OLFWJLLRSA-N -1 0 512.551 5.254 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000016805469 553582874 /nfs/dbraw/zinc/58/28/74/553582874.db2.gz YHERJSRYHOWWCJ-FQEVSTJZSA-N -1 0 510.518 5.164 50 30 KKEARM CCCCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575428 553591125 /nfs/dbraw/zinc/59/11/25/553591125.db2.gz KPFJLECGTNZKEH-UHFFFAOYSA-N -1 0 603.357 8.253 50 30 KKEARM O=c1c(N=Nc2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000018037818 553601752 /nfs/dbraw/zinc/60/17/52/553601752.db2.gz IUFKCMDAFZAELG-MDVFONAFSA-N -1 0 515.598 6.821 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1OC ZINC000018117643 553605015 /nfs/dbraw/zinc/60/50/15/553605015.db2.gz AESVAWGOAHQLGM-JOCHJYFZSA-N -1 0 541.398 5.535 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018197727 553609016 /nfs/dbraw/zinc/60/90/16/553609016.db2.gz MTWHWPSQUIBSGT-DNOBIOAJSA-N -1 0 511.603 5.664 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1 ZINC000018198585 553609429 /nfs/dbraw/zinc/60/94/29/553609429.db2.gz DWAURIBQDLEZRT-DWXRJYCRSA-N -1 0 511.603 5.907 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018198590 553609660 /nfs/dbraw/zinc/60/96/60/553609660.db2.gz DWAURIBQDLEZRT-HFJWLAOPSA-N -1 0 511.603 5.907 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198751 553609663 /nfs/dbraw/zinc/60/96/63/553609663.db2.gz QGETYLJENXUMQL-LYZGTLIUSA-N -1 0 523.658 7.022 50 30 KKEARM COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019848111 553623178 /nfs/dbraw/zinc/62/31/78/553623178.db2.gz CXADKESHBNYKDP-OWJWWREXSA-N -1 0 524.595 5.218 50 30 KKEARM COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019848115 553623631 /nfs/dbraw/zinc/62/36/31/553623631.db2.gz CXADKESHBNYKDP-MYYSRTQBSA-N -1 0 524.595 5.218 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc(I)c6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000079216702 553670918 /nfs/dbraw/zinc/67/09/18/553670918.db2.gz MTEVWUWWYBUXPF-UGDXFRSSSA-N -1 0 668.700 9.596 50 30 biogenic KKEARM CCCCCCCCOc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1 ZINC000085877851 553689397 /nfs/dbraw/zinc/68/93/97/553689397.db2.gz FLXCWXMIDGPWDK-UHFFFAOYSA-N -1 0 503.599 7.022 50 30 biogenic KKEARM O=[N+]([O-])c1ccccc1[N-]c1nc(N=NCc2cccc(I)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000095100413 553698945 /nfs/dbraw/zinc/69/89/45/553698945.db2.gz UGWJCRHITQZEMF-OXUBWTJQSA-N -1 0 627.243 5.446 50 30 KKEARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)n1 ZINC000095100610 553698974 /nfs/dbraw/zinc/69/89/74/553698974.db2.gz HFSFJFHWRIGOBK-GOEBONIOSA-N -1 0 756.391 6.705 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201993 553700740 /nfs/dbraw/zinc/70/07/40/553700740.db2.gz LQCAPZFOMOXRHZ-WNSKOXEYSA-N -1 0 512.584 5.074 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201996 553700766 /nfs/dbraw/zinc/70/07/66/553700766.db2.gz LQCAPZFOMOXRHZ-IQMFZBJNSA-N -1 0 512.584 5.074 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097939533 553759695 /nfs/dbraw/zinc/75/96/95/553759695.db2.gz JOWUBPYLGSVTKA-LJAQVGFWSA-N -1 0 598.677 7.412 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939694 553760519 /nfs/dbraw/zinc/76/05/19/553760519.db2.gz MEJWMKDYRGRMQG-VOIUYBSRSA-N -1 0 558.678 5.419 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939731 553760767 /nfs/dbraw/zinc/76/07/67/553760767.db2.gz SAIQJGHRUITONW-GDJIYFAZSA-N -1 0 590.654 5.874 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939730 553760829 /nfs/dbraw/zinc/76/08/29/553760829.db2.gz SAIQJGHRUITONW-HMILPKGGSA-N -1 0 590.654 5.874 50 30 KKEARM CN(/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000023115509 553770718 /nfs/dbraw/zinc/77/07/18/553770718.db2.gz GOGPAEWCFFDLOG-YSMPRRRNSA-N -1 0 504.344 5.657 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000097948667 553795776 /nfs/dbraw/zinc/79/57/76/553795776.db2.gz FWLTYWSPPBMUBK-MQFAKOPTSA-N -1 0 591.535 8.056 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3cc(Cl)ccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000097948669 553795864 /nfs/dbraw/zinc/79/58/64/553795864.db2.gz HTESLVSIKXNDFH-GFJKYASSSA-N -1 0 591.535 8.056 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000097951602 553810209 /nfs/dbraw/zinc/81/02/09/553810209.db2.gz SLNZZIDQNVAUEE-IBGZPJMESA-N -1 0 514.173 5.390 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097952258 553814338 /nfs/dbraw/zinc/81/43/38/553814338.db2.gz JTKNYDNZVMQKOP-HSZRJFAPSA-N -1 0 533.005 6.082 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097952463 553816071 /nfs/dbraw/zinc/81/60/71/553816071.db2.gz FOCSSDSOWJCDME-HXUWFJFHSA-N -1 0 525.449 6.466 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952982 553818515 /nfs/dbraw/zinc/81/85/15/553818515.db2.gz LWUCLIHCDPXJLS-QHCPKHFHSA-N -1 0 529.530 5.067 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955092 553828352 /nfs/dbraw/zinc/82/83/52/553828352.db2.gz KCWSQGLZNSUALN-ZAMGYDSWSA-N -1 0 565.420 6.304 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955094 553828378 /nfs/dbraw/zinc/82/83/78/553828378.db2.gz KCWSQGLZNSUALN-NPMABZOXSA-N -1 0 565.420 6.304 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955099 553828715 /nfs/dbraw/zinc/82/87/15/553828715.db2.gz TZWIOFFRPCDVQH-ZAMGYDSWSA-N -1 0 537.424 6.709 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000097955129 553828840 /nfs/dbraw/zinc/82/88/40/553828840.db2.gz NXHNEFXYFUOWAB-OAQYLSRUSA-N -1 0 543.370 5.031 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000097955147 553829173 /nfs/dbraw/zinc/82/91/73/553829173.db2.gz PKIBAAPQKOEGNY-NPMABZOXSA-N -1 0 520.969 6.195 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097955207 553829877 /nfs/dbraw/zinc/82/98/77/553829877.db2.gz GHQMOSNRYCYSES-AREMUKBSSA-N -1 0 618.664 5.312 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097955286 553830504 /nfs/dbraw/zinc/83/05/04/553830504.db2.gz ZZCXLASIVRQLDJ-ODCWNRFASA-N -1 0 530.577 5.940 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097955287 553830653 /nfs/dbraw/zinc/83/06/53/553830653.db2.gz ZZCXLASIVRQLDJ-SGANQWHYSA-N -1 0 530.577 5.940 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955573 553831288 /nfs/dbraw/zinc/83/12/88/553831288.db2.gz BCXKJKDPMIIDIU-ODCWNRFASA-N -1 0 547.032 6.455 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000097955581 553831565 /nfs/dbraw/zinc/83/15/65/553831565.db2.gz HDNDGWQOVSGFGA-LFPIHBKWSA-N -1 0 544.560 5.328 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955608 553832081 /nfs/dbraw/zinc/83/20/81/553832081.db2.gz CQVJWPJZRJXPRD-NPMABZOXSA-N -1 0 531.521 5.450 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000097955666 553832382 /nfs/dbraw/zinc/83/23/82/553832382.db2.gz GTHHQEKXVKCVHZ-NDEPHWFRSA-N -1 0 621.111 6.937 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000097955657 553832502 /nfs/dbraw/zinc/83/25/02/553832502.db2.gz SZXDLQDWZKSTQR-SANMLTNESA-N -1 0 581.650 5.860 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956687 553840692 /nfs/dbraw/zinc/84/06/92/553840692.db2.gz SRKJITHEVDWILF-BSEYFRJRSA-N -1 0 543.557 5.319 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097956685 553840746 /nfs/dbraw/zinc/84/07/46/553840746.db2.gz SRKJITHEVDWILF-LFPIHBKWSA-N -1 0 543.557 5.319 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956808 553842280 /nfs/dbraw/zinc/84/22/80/553842280.db2.gz FVTKYUWUKGMJGG-VWLOTQADSA-N -1 0 570.623 6.130 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097956878 553843052 /nfs/dbraw/zinc/84/30/52/553843052.db2.gz DTELDXNDMWEIEO-QHCPKHFHSA-N -1 0 565.047 6.104 50 30 KKEARM CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000097959632 553865183 /nfs/dbraw/zinc/86/51/83/553865183.db2.gz UQUABZFOFDQRJW-NIMQFJJWSA-N -1 0 603.550 5.278 50 30 KKEARM CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097960010 553867700 /nfs/dbraw/zinc/86/77/00/553867700.db2.gz IHWWJMMQPYLNCC-MGBGTMOVSA-N -1 0 603.115 7.326 50 30 KKEARM O=C([O-])c1cccc(-n2cccc2/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000097960194 553868815 /nfs/dbraw/zinc/86/88/15/553868815.db2.gz OCKQLONWWZWAFF-VTFCSKLESA-N -1 0 532.625 6.504 50 30 KKEARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000097960513 553871899 /nfs/dbraw/zinc/87/18/99/553871899.db2.gz FOOXCUTWJMOKQW-OYKKKHCWSA-N -1 0 553.416 6.447 50 30 KKEARM C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1I ZINC000097960579 553872709 /nfs/dbraw/zinc/87/27/09/553872709.db2.gz JLSHNEGXBDNOOL-MHWRWJLKSA-N -1 0 644.203 5.366 50 30 KKEARM O=C([O-])c1ccc(C(=O)c2c3c(=O)n(-c4ccc(/C=C/C(=O)c5ccccc5)cc4)c(=O)c3cc3c(=O)n(-c4ccc(/C=C/C(=O)c5ccccc5)cc4)c(=O)c32)cc1 ZINC000097961970 553881862 /nfs/dbraw/zinc/88/18/62/553881862.db2.gz JEUSEZSAEFSHNO-RYQLWAFASA-N -1 0 776.757 6.612 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1)c1cc2ccccc2o1 ZINC000097966013 553906414 /nfs/dbraw/zinc/90/64/14/553906414.db2.gz AOVKCHXMJXBUHG-BRJLIKDPSA-N -1 0 514.173 6.666 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097967017 553913100 /nfs/dbraw/zinc/91/31/00/553913100.db2.gz QYEZRPNDNIECDH-NRFANRHFSA-N -1 0 555.837 6.504 50 30 KKEARM C=CCc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c(OC)c1 ZINC000097967130 553913958 /nfs/dbraw/zinc/91/39/58/553913958.db2.gz VNNAYYWEUPWXRJ-XIEYBQDHSA-N -1 0 539.563 5.467 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967299 553916671 /nfs/dbraw/zinc/91/66/71/553916671.db2.gz PATINVOWOKZNQQ-SLQAJWMNSA-N -1 0 678.232 7.778 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967308 553916689 /nfs/dbraw/zinc/91/66/89/553916689.db2.gz DZENTNQWFCVRFB-UDNBHOFDSA-N -1 0 661.805 7.824 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097967325 553916796 /nfs/dbraw/zinc/91/67/96/553916796.db2.gz QRUCWGBDRFNKLQ-JCQPUDPBSA-N -1 0 565.420 6.304 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967335 553917324 /nfs/dbraw/zinc/91/73/24/553917324.db2.gz QVKCLDMCJOJDRQ-ULKXQASOSA-N -1 0 726.276 8.568 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967346 553917335 /nfs/dbraw/zinc/91/73/35/553917335.db2.gz DFEOEXJTMFPHGM-ONOMSOESSA-N -1 0 627.788 7.424 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097967376 553917658 /nfs/dbraw/zinc/91/76/58/553917658.db2.gz GTHXRJOCSSNRFL-ROTAYESASA-N -1 0 665.768 7.655 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967407 553918081 /nfs/dbraw/zinc/91/80/81/553918081.db2.gz VOPICFILUMBCOV-MGBGTMOVSA-N -1 0 672.759 8.257 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967506 553919262 /nfs/dbraw/zinc/91/92/62/553919262.db2.gz NBCMWMRHEFYBPT-NHOCJEJCSA-N -1 0 707.874 8.668 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097967613 553920933 /nfs/dbraw/zinc/92/09/33/553920933.db2.gz VTYJILDFDRBGCA-GDLZYMKVSA-N -1 0 616.692 6.437 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000097967735 553922125 /nfs/dbraw/zinc/92/21/25/553922125.db2.gz DSYRIIJYHPDRLC-GSTQUKTASA-N -1 0 760.721 9.221 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967754 553922707 /nfs/dbraw/zinc/92/27/07/553922707.db2.gz SLHVHCHXIFFGPA-PIIWDFAUSA-N -1 0 611.745 6.810 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967831 553923925 /nfs/dbraw/zinc/92/39/25/553923925.db2.gz RDIAFZGCJPLFEW-PKHCJMHPSA-N -1 0 740.731 9.067 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097967887 553924488 /nfs/dbraw/zinc/92/44/88/553924488.db2.gz BDZGZRFQZVAHME-IZHWHUGBSA-N -1 0 594.089 6.729 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967864 553924567 /nfs/dbraw/zinc/92/45/67/553924567.db2.gz ZDPFFHAHSJRRKP-XMMPIXPASA-N -1 0 591.642 5.532 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967957 553925801 /nfs/dbraw/zinc/92/58/01/553925801.db2.gz WNGCIBPDCBYSNF-LDLUVENISA-N -1 0 710.661 8.207 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968001 553926193 /nfs/dbraw/zinc/92/61/93/553926193.db2.gz HIGVSZHLKTWPSO-SHACYNPGSA-N -1 0 628.534 7.383 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000033353700 553926423 /nfs/dbraw/zinc/92/64/23/553926423.db2.gz CQENTNJXTSZYFA-SANMLTNESA-N -1 0 529.946 5.618 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968019 553926601 /nfs/dbraw/zinc/92/66/01/553926601.db2.gz WPYOQNRXECATOT-RUZDIDTESA-N -1 0 622.124 6.437 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968053 553926969 /nfs/dbraw/zinc/92/69/69/553926969.db2.gz HVDCKJJKOIRYKE-QHCPKHFHSA-N -1 0 559.625 5.090 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968101 553927417 /nfs/dbraw/zinc/92/74/17/553927417.db2.gz OTKPZZZXNIVTLW-VWLOTQADSA-N -1 0 622.124 6.437 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968090 553927457 /nfs/dbraw/zinc/92/74/57/553927457.db2.gz CXOKLTNIJWSDPI-SONOPUAISA-N -1 0 696.678 8.668 50 30 KKEARM O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000033353992 553927867 /nfs/dbraw/zinc/92/78/67/553927867.db2.gz HAEARVJRGZVNOH-JOCHJYFZSA-N -1 0 552.033 5.380 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968114 553927960 /nfs/dbraw/zinc/92/79/60/553927960.db2.gz HXHSDIFZHHDOHX-QHCPKHFHSA-N -1 0 596.061 6.177 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968213 553929085 /nfs/dbraw/zinc/92/90/85/553929085.db2.gz CFUDIWOSKMSBIH-SANMLTNESA-N -1 0 585.707 6.508 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968199 553929116 /nfs/dbraw/zinc/92/91/16/553929116.db2.gz FDNWYSRNWPRHIE-XMMPIXPASA-N -1 0 670.552 6.478 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097968200 553929137 /nfs/dbraw/zinc/92/91/37/553929137.db2.gz FDNWYSRNWPRHIE-DEOSSOPVSA-N -1 0 670.552 6.478 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968237 553929603 /nfs/dbraw/zinc/92/96/03/553929603.db2.gz NHTVTTIVFVBWIL-OWJWWREXSA-N -1 0 594.089 6.729 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968288 553930150 /nfs/dbraw/zinc/93/01/50/553930150.db2.gz HEPIOCKASUSLLO-DEOSSOPVSA-N -1 0 636.107 5.825 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)Nc1cccc(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1)C(=O)[O-] ZINC000033354588 553930270 /nfs/dbraw/zinc/93/02/70/553930270.db2.gz HBGGZKGRNDVBFB-MHZLTWQESA-N -1 0 722.198 11.490 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968331 553930665 /nfs/dbraw/zinc/93/06/65/553930665.db2.gz FPVZOGFJPSNJQB-GDLZYMKVSA-N -1 0 659.786 6.880 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968343 553930696 /nfs/dbraw/zinc/93/06/96/553930696.db2.gz NWZZYWMHXVDASL-HHHXNRCGSA-N -1 0 615.733 6.563 50 30 KKEARM CCOc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1 ZINC000033354736 553931178 /nfs/dbraw/zinc/93/11/78/553931178.db2.gz VDTQUCMIVWAZTR-BRJLIKDPSA-N -1 0 610.189 6.559 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097968427 553932346 /nfs/dbraw/zinc/93/23/46/553932346.db2.gz HCJOFGOAKIKZGC-PMERELPUSA-N -1 0 708.258 7.862 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000097969062 553936281 /nfs/dbraw/zinc/93/62/81/553936281.db2.gz ICXSCHWZKFDWNT-JOCHJYFZSA-N -1 0 551.418 5.859 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969123 553937098 /nfs/dbraw/zinc/93/70/98/553937098.db2.gz VWHFSYNIMIFKAS-ROTAYESASA-N -1 0 682.223 8.169 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969188 553937751 /nfs/dbraw/zinc/93/77/51/553937751.db2.gz WFYJULAQFDODCZ-QWXGXRTQSA-N -1 0 577.058 6.463 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969247 553938760 /nfs/dbraw/zinc/93/87/60/553938760.db2.gz SBZJIAGMQCPIMT-GDJIYFAZSA-N -1 0 631.751 7.255 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097969310 553939254 /nfs/dbraw/zinc/93/92/54/553939254.db2.gz SMGQYUALHBERDA-LJAQVGFWSA-N -1 0 642.730 6.706 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097969300 553939313 /nfs/dbraw/zinc/93/93/13/553939313.db2.gz ZBWYUCRNHVOJPS-GKVSMKOHSA-N -1 0 573.671 6.384 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969337 553939626 /nfs/dbraw/zinc/93/96/26/553939626.db2.gz WHQXNSFCKMKFMA-PPHZAIPVSA-N -1 0 597.718 6.502 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969358 553940202 /nfs/dbraw/zinc/94/02/02/553940202.db2.gz QUSXHHOYRTUXTC-AFJIDDCJSA-N -1 0 662.233 8.015 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969375 553940446 /nfs/dbraw/zinc/94/04/46/553940446.db2.gz MRZKAZSVTBFZQT-GDJIYFAZSA-N -1 0 648.206 7.769 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969373 553940478 /nfs/dbraw/zinc/94/04/78/553940478.db2.gz MRZKAZSVTBFZQT-VKGTZQKMSA-N -1 0 648.206 7.769 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969572 553942548 /nfs/dbraw/zinc/94/25/48/553942548.db2.gz IBAIQAWMZWEAJZ-BHNGRWRESA-N -1 0 697.838 8.669 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969775 553944524 /nfs/dbraw/zinc/94/45/24/553944524.db2.gz DISQCVSQOMEVOF-OLILMLBXSA-N -1 0 641.771 6.900 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969798 553944926 /nfs/dbraw/zinc/94/49/26/553944926.db2.gz YHCBRCGWUKOMAX-OLILMLBXSA-N -1 0 645.778 7.645 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097969806 553944932 /nfs/dbraw/zinc/94/49/32/553944932.db2.gz YSZPCTJBGXLBDS-HHHXNRCGSA-N -1 0 614.676 6.013 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097969801 553945061 /nfs/dbraw/zinc/94/50/61/553945061.db2.gz AMHBIEZHIKSDKD-PRAQEBQASA-N -1 0 675.804 7.653 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969830 553945458 /nfs/dbraw/zinc/94/54/58/553945458.db2.gz DXDSHLHFSQDNSQ-MYUZEXMDSA-N -1 0 617.724 6.865 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969855 553945858 /nfs/dbraw/zinc/94/58/58/553945858.db2.gz VLOZWWNIBNGGET-WRGVRERRSA-N -1 0 692.259 8.168 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097969862 553946031 /nfs/dbraw/zinc/94/60/31/553946031.db2.gz KTMZPSAPCJEGEK-HHHXNRCGSA-N -1 0 570.623 5.675 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969856 553946048 /nfs/dbraw/zinc/94/60/48/553946048.db2.gz VLOZWWNIBNGGET-PRAQEBQASA-N -1 0 692.259 8.168 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969860 553946074 /nfs/dbraw/zinc/94/60/74/553946074.db2.gz HMFOROSSGMGAEQ-WHLCRQNOSA-N -1 0 629.760 6.734 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969895 553946565 /nfs/dbraw/zinc/94/65/65/553946565.db2.gz PXQLJGLLPHLVNG-HPGBDJQBSA-N -1 0 605.112 7.244 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000097970056 553949112 /nfs/dbraw/zinc/94/91/12/553949112.db2.gz QTBZFWKYUGIHBY-AREMUKBSSA-N -1 0 556.596 5.285 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000097970144 553949932 /nfs/dbraw/zinc/94/99/32/553949932.db2.gz HAFMANOOEOBYDS-IVCQMTBJSA-N -1 0 592.670 5.532 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000097970131 553950052 /nfs/dbraw/zinc/95/00/52/553950052.db2.gz ONKZPVFBTYSEJA-VWLOTQADSA-N -1 0 608.669 5.370 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970228 553951143 /nfs/dbraw/zinc/95/11/43/553951143.db2.gz KUJPFCDOETZZLO-ONOMSOESSA-N -1 0 627.788 7.362 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970246 553951623 /nfs/dbraw/zinc/95/16/23/553951623.db2.gz QJODPTZUVUUFST-ROTAYESASA-N -1 0 649.794 7.879 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970304 553952493 /nfs/dbraw/zinc/95/24/93/553952493.db2.gz OHNPKJGVLJIHBL-LMKMVOKYSA-N -1 0 617.680 5.862 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097970363 553952846 /nfs/dbraw/zinc/95/28/46/553952846.db2.gz YBMLNDVEDOUVEM-MYUZEXMDSA-N -1 0 615.708 6.641 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000097970359 553952935 /nfs/dbraw/zinc/95/29/35/553952935.db2.gz TYPNRCBRLJCNSC-BGOLNKOXSA-N -1 0 706.286 8.414 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970375 553953252 /nfs/dbraw/zinc/95/32/52/553953252.db2.gz CKDKCWQVUZDYDI-SANMLTNESA-N -1 0 604.637 5.275 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097970666 553957167 /nfs/dbraw/zinc/95/71/67/553957167.db2.gz AAKXMQAMMXKXDO-GDLZYMKVSA-N -1 0 616.692 6.437 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970680 553957476 /nfs/dbraw/zinc/95/74/76/553957476.db2.gz NXRVYOJURONNTG-MYUZEXMDSA-N -1 0 615.708 6.641 50 30 KKEARM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)n2)cc1OC ZINC000097982668 554004665 /nfs/dbraw/zinc/00/46/65/554004665.db2.gz XEPZSKZJBMOEQA-HSZRJFAPSA-N -1 0 547.658 5.735 50 30 KKEARM COC(=O)c1ccc(COc2ccccc2/C=C\C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1 ZINC000097996772 554038668 /nfs/dbraw/zinc/03/86/68/554038668.db2.gz ODLMNBAEGSGDCJ-QBFSEMIESA-N -1 0 506.576 5.275 50 30 KKEARM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@]45CCCC[C@@H]4[C@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000035212598 554041652 /nfs/dbraw/zinc/04/16/52/554041652.db2.gz JWJQKUXXLPEPJD-BZOXFGMHSA-N -1 0 511.625 7.393 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098043590 554128578 /nfs/dbraw/zinc/12/85/78/554128578.db2.gz FPQCRAONMSYTCR-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3)cc2)c1 ZINC000098045755 554133749 /nfs/dbraw/zinc/13/37/49/554133749.db2.gz KKJUPGZIQGQTCJ-GDLZYMKVSA-N -1 0 623.731 7.640 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046483 554139314 /nfs/dbraw/zinc/13/93/14/554139314.db2.gz IHWKUBJZFXGOBQ-VWLOTQADSA-N -1 0 654.583 7.694 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046474 554139365 /nfs/dbraw/zinc/13/93/65/554139365.db2.gz AZBSIPDIWKMWHD-HHHXNRCGSA-N -1 0 665.765 6.957 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046478 554139481 /nfs/dbraw/zinc/13/94/81/554139481.db2.gz LETZFHMPSWVESY-RUZDIDTESA-N -1 0 671.038 8.208 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098046484 554139946 /nfs/dbraw/zinc/13/99/46/554139946.db2.gz GVQIFQORRLGGOW-RUZDIDTESA-N -1 0 644.577 8.238 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000098046516 554140260 /nfs/dbraw/zinc/14/02/60/554140260.db2.gz SGJZGISJQPXYLM-MUUNZHRXSA-N -1 0 673.744 6.940 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000098046591 554141080 /nfs/dbraw/zinc/14/10/80/554141080.db2.gz OYDSQAHPEVTXLJ-QFIPXVFZSA-N -1 0 525.051 6.973 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000098046617 554141617 /nfs/dbraw/zinc/14/16/17/554141617.db2.gz LEYLUILROIWHJG-NDEPHWFRSA-N -1 0 621.111 7.081 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3sc(C)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000098046636 554142059 /nfs/dbraw/zinc/14/20/59/554142059.db2.gz KFNCXUVETPSIQY-FQEVSTJZSA-N -1 0 585.132 6.349 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000098047048 554146111 /nfs/dbraw/zinc/14/61/11/554146111.db2.gz FVFLRWUYBGXMDM-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccs2)cc1F ZINC000098047240 554148323 /nfs/dbraw/zinc/14/83/23/554148323.db2.gz IICSRHYYLFUVJF-DEOSSOPVSA-N -1 0 573.696 7.276 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047283 554148813 /nfs/dbraw/zinc/14/88/13/554148813.db2.gz BFOOZKOCHZIXNQ-RUZDIDTESA-N -1 0 564.660 6.023 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047318 554149190 /nfs/dbraw/zinc/14/91/90/554149190.db2.gz WKXVGKJEOIKHNI-NDEPHWFRSA-N -1 0 660.148 8.207 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccco2)cc1OC ZINC000098047322 554149279 /nfs/dbraw/zinc/14/92/79/554149279.db2.gz LTVUFXWDTWCBIF-VWLOTQADSA-N -1 0 585.663 6.377 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000098047339 554149517 /nfs/dbraw/zinc/14/95/17/554149517.db2.gz KZMRSDCEVWILKG-SANMLTNESA-N -1 0 605.713 6.940 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047342 554149573 /nfs/dbraw/zinc/14/95/73/554149573.db2.gz HHMGKYGEMDCBEW-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047354 554149632 /nfs/dbraw/zinc/14/96/32/554149632.db2.gz BTUNLMXEQCCSDI-AREMUKBSSA-N -1 0 622.168 7.454 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047350 554149690 /nfs/dbraw/zinc/14/96/90/554149690.db2.gz UDQJCYCNAVAISA-HHHXNRCGSA-N -1 0 636.195 7.844 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047361 554149989 /nfs/dbraw/zinc/14/99/89/554149989.db2.gz NANVQFOWFRIHGS-VWLOTQADSA-N -1 0 626.587 8.099 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000098047365 554150032 /nfs/dbraw/zinc/15/00/32/554150032.db2.gz KODROKCCMSSZDW-SANMLTNESA-N -1 0 622.168 7.454 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000098047367 554150099 /nfs/dbraw/zinc/15/00/99/554150099.db2.gz XGIKIBVAYGAPHD-VWLOTQADSA-N -1 0 671.038 8.208 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047415 554150361 /nfs/dbraw/zinc/15/03/61/554150361.db2.gz XMNDPRDONUHHRN-YTTGMZPUSA-N -1 0 698.266 9.025 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047475 554151409 /nfs/dbraw/zinc/15/14/09/554151409.db2.gz BAMNMIUTGUADNP-NDEPHWFRSA-N -1 0 615.777 7.581 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047473 554151492 /nfs/dbraw/zinc/15/14/92/554151492.db2.gz UIMFBEUEECWFMV-NDEPHWFRSA-N -1 0 666.221 7.853 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047516 554152170 /nfs/dbraw/zinc/15/21/70/554152170.db2.gz HDLGPGIEEOEBRT-YTTGMZPUSA-N -1 0 687.884 8.678 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000098047520 554152209 /nfs/dbraw/zinc/15/22/09/554152209.db2.gz VMDRZXPFPRNLKW-RUZDIDTESA-N -1 0 592.670 5.773 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047546 554152635 /nfs/dbraw/zinc/15/26/35/554152635.db2.gz GKFYYDNANHCUHI-MHZLTWQESA-N -1 0 622.740 6.778 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047590 554152966 /nfs/dbraw/zinc/15/29/66/554152966.db2.gz XDHWVLQDDAYRJA-HKBQPEDESA-N -1 0 708.302 9.023 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047576 554153009 /nfs/dbraw/zinc/15/30/09/554153009.db2.gz ZOLNMYZSHRPYJT-HKBQPEDESA-N -1 0 691.847 8.509 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098047611 554153514 /nfs/dbraw/zinc/15/35/14/554153514.db2.gz AUKANFMTPMIJNM-AREMUKBSSA-N -1 0 589.714 7.240 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047606 554153660 /nfs/dbraw/zinc/15/36/60/554153660.db2.gz MWDJRYFFAQMHHY-SANMLTNESA-N -1 0 606.169 7.754 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047638 554153877 /nfs/dbraw/zinc/15/38/77/554153877.db2.gz CHJOYFQTZXOUMI-MHZLTWQESA-N -1 0 619.740 7.330 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047642 554153882 /nfs/dbraw/zinc/15/38/82/554153882.db2.gz OBVZEYXEULFPBA-MHZLTWQESA-N -1 0 652.194 7.463 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047656 554154023 /nfs/dbraw/zinc/15/40/23/554154023.db2.gz JDPCANOYHHVEKA-NDEPHWFRSA-N -1 0 631.776 7.200 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047664 554154490 /nfs/dbraw/zinc/15/44/90/554154490.db2.gz PRLVOKJWSIDADR-MHZLTWQESA-N -1 0 636.195 7.844 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000098047679 554154546 /nfs/dbraw/zinc/15/45/46/554154546.db2.gz YFZFTJKTDWPEPZ-JGCGQSQUSA-N -1 0 687.884 8.760 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000098047707 554154759 /nfs/dbraw/zinc/15/47/59/554154759.db2.gz PPTBYCPLYOCZSN-AREMUKBSSA-N -1 0 646.563 7.977 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000098047730 554155515 /nfs/dbraw/zinc/15/55/15/554155515.db2.gz VPCBQHBXQZNIPZ-LJAQVGFWSA-N -1 0 639.774 8.212 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(O)c2)cc1OC ZINC000098047779 554155826 /nfs/dbraw/zinc/15/58/26/554155826.db2.gz JMFNYPQAGNPFCV-HHHXNRCGSA-N -1 0 611.701 6.489 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000098047777 554155872 /nfs/dbraw/zinc/15/58/72/554155872.db2.gz HNYMYQXKHCROLR-HHHXNRCGSA-N -1 0 630.147 7.437 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1OC ZINC000098047781 554155883 /nfs/dbraw/zinc/15/58/83/554155883.db2.gz NRXNXFCGBHZYBH-HHHXNRCGSA-N -1 0 613.692 6.923 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000098047802 554156359 /nfs/dbraw/zinc/15/63/59/554156359.db2.gz ZYMSPJCCUCLJJE-NDEPHWFRSA-N -1 0 609.729 7.092 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047813 554156377 /nfs/dbraw/zinc/15/63/77/554156377.db2.gz ZVHASPGPYQWUHF-MUUNZHRXSA-N -1 0 625.728 6.792 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000098047843 554156608 /nfs/dbraw/zinc/15/66/08/554156608.db2.gz CSJQJBHMBQWVPP-GDLZYMKVSA-N -1 0 609.748 8.337 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047824 554156673 /nfs/dbraw/zinc/15/66/73/554156673.db2.gz NIAAISUECNGYGC-HKBQPEDESA-N -1 0 669.800 8.402 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000098047821 554156705 /nfs/dbraw/zinc/15/67/05/554156705.db2.gz JXYNKOWAFQDIDE-JGCGQSQUSA-N -1 0 683.827 8.648 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1OC ZINC000098047851 554157002 /nfs/dbraw/zinc/15/70/02/554157002.db2.gz XVXJSARXOYTFLH-AREMUKBSSA-N -1 0 596.690 6.179 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000098047853 554157016 /nfs/dbraw/zinc/15/70/16/554157016.db2.gz ZBMQMPFTUOJHGR-HHHXNRCGSA-N -1 0 640.699 6.692 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047897 554157325 /nfs/dbraw/zinc/15/73/25/554157325.db2.gz IQYGSRYXURFISQ-HHHXNRCGSA-N -1 0 625.659 6.373 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098048932 554162373 /nfs/dbraw/zinc/16/23/73/554162373.db2.gz DEDPFPCMEVYSII-MUUNZHRXSA-N -1 0 662.818 8.207 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000098050340 554174087 /nfs/dbraw/zinc/17/40/87/554174087.db2.gz DHSSBTFWRICZOS-OAQYLSRUSA-N -1 0 539.009 5.548 50 30 KKEARM O=c1c(N=Nc2ccc(I)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100006020 554178021 /nfs/dbraw/zinc/17/80/21/554178021.db2.gz NLRQISWPTBZGQZ-XAYXJRQQSA-N -1 0 549.397 5.634 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000100005874 554178023 /nfs/dbraw/zinc/17/80/23/554178023.db2.gz AYJHJWQSOGLZTH-UQQQWYQISA-N -1 0 612.145 6.597 50 30 KKEARM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000100033898 554187636 /nfs/dbraw/zinc/18/76/36/554187636.db2.gz RICKCGHIXFSARC-OURHBKOOSA-N -1 0 543.535 5.246 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000100034107 554187688 /nfs/dbraw/zinc/18/76/88/554187688.db2.gz FRDGPHHJWUYGJP-NGYBGAFCSA-N -1 0 517.919 5.659 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1cccc(Cl)c1Cl ZINC000100038437 554191574 /nfs/dbraw/zinc/19/15/74/554191574.db2.gz WPHHPNHKMWALOA-NGYBGAFCSA-N -1 0 517.919 5.659 50 30 KKEARM C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)c1ccccc1 ZINC000100055829 554196171 /nfs/dbraw/zinc/19/61/71/554196171.db2.gz UKCCSKIIBFQBES-FTQFDPMJSA-N -1 0 605.377 7.247 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)C(=O)[C@@H]1C(C)C ZINC000100086770 554209269 /nfs/dbraw/zinc/20/92/69/554209269.db2.gz APZVAVHTQKZAOL-UUWRZZSWSA-N -1 0 612.877 9.962 50 30 KKEARM COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000100144530 554230107 /nfs/dbraw/zinc/23/01/07/554230107.db2.gz VVXLGDWTVLLOEU-DQHMDIJASA-N -1 0 538.025 5.250 50 30 KKEARM CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4C#N)c(Br)c3)C(=O)[N-]C2=S)cc1 ZINC000100156515 554233206 /nfs/dbraw/zinc/23/32/06/554233206.db2.gz QQVFZSILAPDWID-MAKCPWPFSA-N -1 0 574.500 6.245 50 30 KKEARM CC(C)CC(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100233251 554257598 /nfs/dbraw/zinc/25/75/98/554257598.db2.gz PTMIGKZUTGSHED-RUZDIDTESA-N -1 0 546.664 5.216 50 30 KKEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100236192 554258309 /nfs/dbraw/zinc/25/83/09/554258309.db2.gz VCORPANLMWFSQG-IWIPYMOSSA-N -1 0 561.591 5.271 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S/C2=N/c2ccccc2)cc1 ZINC000100236929 554258860 /nfs/dbraw/zinc/25/88/60/554258860.db2.gz PDRUHKDUGKYPES-XWPFJJIMSA-N -1 0 588.645 7.100 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000100236894 554258929 /nfs/dbraw/zinc/25/89/29/554258929.db2.gz GEMDCZZJCLDKEH-UEGOBAKLSA-N -1 0 589.673 7.038 50 30 KKEARM N#Cc1c(=O)[n-]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1ccc(Br)cc1 ZINC000100249585 554261929 /nfs/dbraw/zinc/26/19/29/554261929.db2.gz JDOMJGDOYZZNOV-UHFFFAOYSA-N -1 0 561.361 7.654 50 30 KKEARM COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2cccc(Cl)c2)cc1OC ZINC000100307540 554296156 /nfs/dbraw/zinc/29/61/56/554296156.db2.gz PYGXULPTEGVYAF-XMWFGAJLSA-N -1 0 568.051 5.258 50 30 KKEARM O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc1-2 ZINC000044459988 554302182 /nfs/dbraw/zinc/30/21/82/554302182.db2.gz ZAMQCVBIJDQZRQ-UHFFFAOYSA-N -1 0 641.571 6.533 50 30 KKEARM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000100329354 554311298 /nfs/dbraw/zinc/31/12/98/554311298.db2.gz NBLIXTPCZPOUBI-RAWMCFOBSA-N -1 0 568.649 6.597 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000053253943 554330232 /nfs/dbraw/zinc/33/02/32/554330232.db2.gz WJGKQJPFFPNBJA-QFIPXVFZSA-N -1 0 578.599 5.183 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053253940 554330441 /nfs/dbraw/zinc/33/04/41/554330441.db2.gz YZYKCKKKJRAPFR-JOCHJYFZSA-N -1 0 548.573 5.175 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000053290831 554331564 /nfs/dbraw/zinc/33/15/64/554331564.db2.gz ZZCXLASIVRQLDJ-MQNRADLISA-N -1 0 530.577 5.940 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053306188 554333544 /nfs/dbraw/zinc/33/35/44/554333544.db2.gz NMOBWLRIYNJCSL-HSZRJFAPSA-N -1 0 565.445 6.249 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053306736 554334335 /nfs/dbraw/zinc/33/43/35/554334335.db2.gz PVDVYESUWYMKMP-FQEVSTJZSA-N -1 0 571.449 5.491 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053319111 554335907 /nfs/dbraw/zinc/33/59/07/554335907.db2.gz DIXSSDSCIGFTNR-OAQYLSRUSA-N -1 0 573.454 6.201 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319103 554335918 /nfs/dbraw/zinc/33/59/18/554335918.db2.gz BDXQRTMYAOTZAV-QHCPKHFHSA-N -1 0 565.445 6.249 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053319166 554336314 /nfs/dbraw/zinc/33/63/14/554336314.db2.gz WCIAQGJKICSORI-OAQYLSRUSA-N -1 0 539.382 5.989 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc(F)cc1 ZINC000053319322 554337188 /nfs/dbraw/zinc/33/71/88/554337188.db2.gz GDUCWYFSNMPEPK-HXUWFJFHSA-N -1 0 527.346 6.120 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000053319416 554337952 /nfs/dbraw/zinc/33/79/52/554337952.db2.gz UCJDMNGQYMTCJU-XMMPIXPASA-N -1 0 532.021 6.170 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000053319486 554338348 /nfs/dbraw/zinc/33/83/48/554338348.db2.gz UQLBIMUIWPGYPC-RUZDIDTESA-N -1 0 527.602 5.525 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053331853 554338610 /nfs/dbraw/zinc/33/86/10/554338610.db2.gz PBCWJEKPUDEECZ-LJQANCHMSA-N -1 0 557.422 5.101 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053334848 554340062 /nfs/dbraw/zinc/34/00/62/554340062.db2.gz RBUXLOJJJWVURK-QHCPKHFHSA-N -1 0 565.445 6.167 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053335811 554341483 /nfs/dbraw/zinc/34/14/83/554341483.db2.gz XMKXQFOJCBBJPM-DEOSSOPVSA-N -1 0 559.556 5.157 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2Cl)no1 ZINC000053337294 554342111 /nfs/dbraw/zinc/34/21/11/554342111.db2.gz VJYIEZPXDWIQCA-HXUWFJFHSA-N -1 0 550.236 6.824 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337335 554342157 /nfs/dbraw/zinc/34/21/57/554342157.db2.gz ZRAXQZDUBVCINB-HHHXNRCGSA-N -1 0 591.085 6.929 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053338371 554342710 /nfs/dbraw/zinc/34/27/10/554342710.db2.gz JKHULBWXFFZRSE-NRFANRHFSA-N -1 0 552.992 5.002 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053340280 554344303 /nfs/dbraw/zinc/34/43/03/554344303.db2.gz MIDOXYGFHLEFGM-JOCHJYFZSA-N -1 0 539.396 6.157 50 30 KKEARM CCCCCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000058992829 554371635 /nfs/dbraw/zinc/37/16/35/554371635.db2.gz IDISFXJRBVUYNA-ZWVRTZEQSA-N -1 0 570.661 7.160 50 30 KKEARM CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)cc(Br)c1O ZINC000100486826 554402457 /nfs/dbraw/zinc/40/24/57/554402457.db2.gz CXZXASQSKSMJKL-QGZVFWFLSA-N -1 0 527.253 5.474 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059595964 554408618 /nfs/dbraw/zinc/40/86/18/554408618.db2.gz QTJIQAZNCSNGEQ-DWXRJYCRSA-N -1 0 530.533 5.007 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059595957 554408642 /nfs/dbraw/zinc/40/86/42/554408642.db2.gz QTJIQAZNCSNGEQ-QYBDOPJKSA-N -1 0 530.533 5.007 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)c([N+](=O)[O-])c4)c3=O)n2)cc1 ZINC000100529614 554410370 /nfs/dbraw/zinc/41/03/70/554410370.db2.gz SUVIRSSLCQRHGW-RMLRFSFXSA-N -1 0 557.548 5.163 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1[O-] ZINC000059626435 554414865 /nfs/dbraw/zinc/41/48/65/554414865.db2.gz CEKMQVFCXGHDIJ-DEXQXJORSA-N -1 0 531.565 5.696 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1[O-] ZINC000059626449 554414912 /nfs/dbraw/zinc/41/49/12/554414912.db2.gz CEKMQVFCXGHDIJ-HJWYETAXSA-N -1 0 531.565 5.696 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100603415 554431814 /nfs/dbraw/zinc/43/18/14/554431814.db2.gz YOWZRGPUTJZTCG-HSZRJFAPSA-N -1 0 596.042 5.629 50 30 KKEARM CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1=O ZINC000100658427 554438175 /nfs/dbraw/zinc/43/81/75/554438175.db2.gz DINHUIMGKQIYMY-UHFFFAOYSA-N -1 0 539.701 7.905 50 30 KKEARM COC(=O)c1[nH]c(C(=O)OC)c(CC(F)(F)C(F)(F)C(F)(F)F)c1CC(F)(F)C(F)(F)C(F)(F)F ZINC000100661332 554438839 /nfs/dbraw/zinc/43/88/39/554438839.db2.gz PONVDORSGFCLMV-UHFFFAOYSA-N -1 0 547.239 5.339 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100675309 554443723 /nfs/dbraw/zinc/44/37/23/554443723.db2.gz GQABLEPHWICNLH-RUZDIDTESA-N -1 0 578.687 6.235 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccnc2)cc1 ZINC000100675301 554443736 /nfs/dbraw/zinc/44/37/36/554443736.db2.gz INMBTTKBVDBUSQ-QHCPKHFHSA-N -1 0 549.649 5.621 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100677217 554444226 /nfs/dbraw/zinc/44/42/26/554444226.db2.gz KNLQZTPNQHSPAT-SFHVURJKSA-N -1 0 545.386 5.231 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100677185 554444290 /nfs/dbraw/zinc/44/42/90/554444290.db2.gz LOODHLIENQRIPE-HSZRJFAPSA-N -1 0 566.607 5.432 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677708 554444718 /nfs/dbraw/zinc/44/47/18/554444718.db2.gz XHADWXOAZSAOOK-VWLOTQADSA-N -1 0 596.677 6.436 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677770 554445079 /nfs/dbraw/zinc/44/50/79/554445079.db2.gz HPGVKSGTQRDQIH-HHHXNRCGSA-N -1 0 622.740 6.778 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100678912 554445247 /nfs/dbraw/zinc/44/52/47/554445247.db2.gz DGOZZONNNNBVAX-QFIPXVFZSA-N -1 0 552.580 5.042 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100679374 554445263 /nfs/dbraw/zinc/44/52/63/554445263.db2.gz FJUVDQTVLAARHY-JOCHJYFZSA-N -1 0 599.503 6.353 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCCC)c(OC)c2)nc1C ZINC000100680265 554445954 /nfs/dbraw/zinc/44/59/54/554445954.db2.gz HPHDYTUGASZSDQ-MUUNZHRXSA-N -1 0 634.751 6.944 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681104 554447229 /nfs/dbraw/zinc/44/72/29/554447229.db2.gz UTYNMPUDOPFQRZ-HHHXNRCGSA-N -1 0 598.677 6.992 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100681447 554447901 /nfs/dbraw/zinc/44/79/01/554447901.db2.gz VKGDIZSETHGCGZ-FQEVSTJZSA-N -1 0 561.418 6.332 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000100736806 554461167 /nfs/dbraw/zinc/46/11/67/554461167.db2.gz CDIYQVLWRRSKEX-JOCHJYFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccc(Cl)c2)c(C)c1 ZINC000100736811 554461292 /nfs/dbraw/zinc/46/12/92/554461292.db2.gz ONXRNDKJBBSVJI-JOCHJYFZSA-N -1 0 555.052 6.162 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)[O-] ZINC000064634199 554513363 /nfs/dbraw/zinc/51/33/63/554513363.db2.gz CDZVJFRXJAUXPP-AREMUKBSSA-O -1 0 610.746 6.017 50 30 in-vitro KKEARM COc1ccc(/N=C2/S/C(=C\c3ccc(O[C@H](C)C(=O)[O-])c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000064726349 554515199 /nfs/dbraw/zinc/51/51/99/554515199.db2.gz HPOHKGREBAHZOG-FMTXCGQLSA-N -1 0 571.655 5.884 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2C(=O)[O-])[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000101022287 554561927 /nfs/dbraw/zinc/56/19/27/554561927.db2.gz ORTKKAYEMJJAGB-QJWGWKRISA-N -1 0 625.678 5.880 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062648 554570649 /nfs/dbraw/zinc/57/06/49/554570649.db2.gz AAIBVDHFKMEHPP-MOBKVPTQSA-N -1 0 533.403 6.324 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062639 554570661 /nfs/dbraw/zinc/57/06/61/554570661.db2.gz BYRHBTWSPKHJIC-UYTDBDHRSA-N -1 0 520.202 5.294 50 30 KKEARM O=[N+]([O-])c1ccccc1[N-]c1nc(N=NCc2ccc(Br)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000101063448 554570936 /nfs/dbraw/zinc/57/09/36/554570936.db2.gz WTVARYFIZVWPPY-OXUBWTJQSA-N -1 0 580.243 5.604 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000101069846 554574303 /nfs/dbraw/zinc/57/43/03/554574303.db2.gz FOYREWVESLLDKG-NHFXJNLRSA-N -1 0 558.182 5.746 50 30 KKEARM Cc1cc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000101072715 554576268 /nfs/dbraw/zinc/57/62/68/554576268.db2.gz VILVYIOMSARIFZ-AYWGPLOBSA-N -1 0 520.379 5.699 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000101095607 554584669 /nfs/dbraw/zinc/58/46/69/554584669.db2.gz DEBLTMZBYLFYNN-YDJIHCHBSA-N -1 0 509.356 5.824 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100228 554587122 /nfs/dbraw/zinc/58/71/22/554587122.db2.gz KZFIELPOPURQBO-LFVOPCPISA-N -1 0 513.344 5.726 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Br)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000101100622 554587642 /nfs/dbraw/zinc/58/76/42/554587642.db2.gz DDZZJEUQKSTBJO-NSYGIPOTSA-N -1 0 560.473 6.661 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000101277260 554703517 /nfs/dbraw/zinc/70/35/17/554703517.db2.gz QNTISAPCPDVSGC-JBCNATCCSA-N -1 0 573.454 6.044 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000101277581 554704017 /nfs/dbraw/zinc/70/40/17/554704017.db2.gz IJXORONBYHLPQB-MRJHHRETSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000101278204 554704803 /nfs/dbraw/zinc/70/48/03/554704803.db2.gz HFJKDMCTYSDKKG-JBCNATCCSA-N -1 0 583.460 5.500 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101278267 554704874 /nfs/dbraw/zinc/70/48/74/554704874.db2.gz LYCUUFSXCMGENA-UUALVTFQSA-N -1 0 625.659 6.216 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCC(=O)c4ccccc4)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000101337932 554734493 /nfs/dbraw/zinc/73/44/93/554734493.db2.gz UHAWFSTZUVECJM-QHCPKHFHSA-N -1 0 578.071 5.958 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101338197 554734786 /nfs/dbraw/zinc/73/47/86/554734786.db2.gz YYEMOEGOSQKSLT-QFIPXVFZSA-N -1 0 597.049 6.622 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101344372 554736669 /nfs/dbraw/zinc/73/66/69/554736669.db2.gz YGYWGDHMQINBPQ-AREMUKBSSA-N -1 0 612.664 7.122 50 30 KKEARM O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccc(Cl)cc3Cl)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1 ZINC000101414788 554764374 /nfs/dbraw/zinc/76/43/74/554764374.db2.gz DXHOWJCSQFGWSF-YLKCYHHESA-N -1 0 570.237 6.148 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(N=Nc5ccccc5)cc4)c3=O)n2)cc1 ZINC000101432520 554771043 /nfs/dbraw/zinc/77/10/43/554771043.db2.gz REXPTNGFFOKTLC-CVAPPICQSA-N -1 0 557.639 7.453 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000101975103 554862887 /nfs/dbraw/zinc/86/28/87/554862887.db2.gz QZUXAACEWRERPR-SANMLTNESA-N -1 0 613.648 6.207 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000102051226 554871416 /nfs/dbraw/zinc/87/14/16/554871416.db2.gz XFFURAPCAIKUNR-ZTOMLWHTSA-N -1 0 535.600 5.854 50 30 KKEARM COc1cc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000102052490 554871628 /nfs/dbraw/zinc/87/16/28/554871628.db2.gz UGTTVQPTNRRVAO-JYRCXFKTSA-N -1 0 571.655 5.924 50 30 KKEARM CCOC(=O)COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000102052281 554871664 /nfs/dbraw/zinc/87/16/64/554871664.db2.gz HBVMTMZJCUFXAG-WRONEBCDSA-N -1 0 583.666 5.841 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1OCC(=O)OC(C)C)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052287 554871666 /nfs/dbraw/zinc/87/16/66/554871666.db2.gz BMKYYBHYHGXBCS-PRAQEBQASA-N -1 0 597.693 6.229 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053197 554872098 /nfs/dbraw/zinc/87/20/98/554872098.db2.gz ZUGWXNOQJHYNCI-DLLPINGYSA-N -1 0 557.675 7.566 50 30 KKEARM COc1cccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000102053453 554872368 /nfs/dbraw/zinc/87/23/68/554872368.db2.gz YOLZAQSNKCHMEN-MRDQGFSESA-N -1 0 541.629 5.916 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102076812 554875176 /nfs/dbraw/zinc/87/51/76/554875176.db2.gz RZOFFHVNBCATOK-IUKMQXEJSA-N -1 0 562.644 5.477 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175794 554892259 /nfs/dbraw/zinc/89/22/59/554892259.db2.gz JYZJLSJPXURMPI-RUZDIDTESA-N -1 0 543.601 5.231 50 30 KKEARM CCC(C)(C)[C@@H]1CCc2sc3[nH]cnc(=NN=Cc4cc(Br)cc(Br)c4[O-])c3c2C1 ZINC000102304480 554908902 /nfs/dbraw/zinc/90/89/02/554908902.db2.gz AGSYYQMKPICIEZ-JKJOSHCESA-N -1 0 552.336 6.909 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(-c2ccccc2F)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000102313191 554910265 /nfs/dbraw/zinc/91/02/65/554910265.db2.gz VIEDASWZGROVRI-BVNFUTIRSA-N -1 0 635.868 7.448 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102483287 554937680 /nfs/dbraw/zinc/93/76/80/554937680.db2.gz NQPQSYRUCWQEEP-NHFXJNLRSA-N -1 0 502.832 5.893 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102484095 554937858 /nfs/dbraw/zinc/93/78/58/554937858.db2.gz UPONJHGEEXOERW-MOBKVPTQSA-N -1 0 508.958 6.114 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102484698 554937955 /nfs/dbraw/zinc/93/79/55/554937955.db2.gz IICPQWDKFWIODD-WOOAAIBNSA-N -1 0 511.353 5.287 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102490390 554939143 /nfs/dbraw/zinc/93/91/43/554939143.db2.gz IFSVEJQOOGPGNA-MOBKVPTQSA-N -1 0 501.520 5.230 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000102502500 554943658 /nfs/dbraw/zinc/94/36/58/554943658.db2.gz BLOZCFPKXTZERA-AYWGPLOBSA-N -1 0 504.539 5.469 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000102502656 554943750 /nfs/dbraw/zinc/94/37/50/554943750.db2.gz BEMHMNKFXPRXLU-MOBKVPTQSA-N -1 0 541.398 5.378 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102506280 554944643 /nfs/dbraw/zinc/94/46/43/554944643.db2.gz SVUVZNLURIASHK-JBCNATCCSA-N -1 0 555.837 6.347 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102511386 554946292 /nfs/dbraw/zinc/94/62/92/554946292.db2.gz DGSMMBFXUXDZHG-MRJHHRETSA-N -1 0 520.588 5.169 50 30 KKEARM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102513226 554947007 /nfs/dbraw/zinc/94/70/07/554947007.db2.gz DMCVBSVKLXTYOS-ZZIWUOEGSA-N -1 0 502.567 6.077 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102515566 554947927 /nfs/dbraw/zinc/94/79/27/554947927.db2.gz GOOCINJRHRLROQ-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102520403 554949359 /nfs/dbraw/zinc/94/93/59/554949359.db2.gz GRMNGARPKSKEOI-AYWGPLOBSA-N -1 0 549.004 5.761 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102520616 554949552 /nfs/dbraw/zinc/94/95/52/554949552.db2.gz WVYJHNJDLOUMPO-JBCNATCCSA-N -1 0 539.382 5.833 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102520648 554949632 /nfs/dbraw/zinc/94/96/32/554949632.db2.gz KMZXHCQTRVZDBW-HOGKFDNTSA-N -1 0 502.523 5.157 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102521244 554949654 /nfs/dbraw/zinc/94/96/54/554949654.db2.gz CMBMYBJONFESQO-HOGKFDNTSA-N -1 0 536.993 5.602 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102521252 554949722 /nfs/dbraw/zinc/94/97/22/554949722.db2.gz CMBMYBJONFESQO-MOBKVPTQSA-N -1 0 536.993 5.602 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102524260 554950945 /nfs/dbraw/zinc/95/09/45/554950945.db2.gz WSCNTAAMCPGBGI-YDJIHCHBSA-N -1 0 541.448 6.145 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102526414 554952188 /nfs/dbraw/zinc/95/21/88/554952188.db2.gz XGQYZFAVKRWBME-LFVOPCPISA-N -1 0 547.416 5.488 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102537593 554956202 /nfs/dbraw/zinc/95/62/02/554956202.db2.gz ZGZORVXKWOMSQM-ZHHPLPSFSA-N -1 0 596.042 5.472 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102542573 554957883 /nfs/dbraw/zinc/95/78/83/554957883.db2.gz NGYUFHBJZIYKQB-HOGKFDNTSA-N -1 0 535.419 6.084 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102549327 554960759 /nfs/dbraw/zinc/96/07/59/554960759.db2.gz IABWBCMZBFEZJH-YJMWBXFMSA-N -1 0 627.788 7.267 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102549593 554961081 /nfs/dbraw/zinc/96/10/81/554961081.db2.gz CCORQXNYEIIRKI-AYWGPLOBSA-N -1 0 553.423 6.309 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102552978 554962834 /nfs/dbraw/zinc/96/28/34/554962834.db2.gz SRMCSQULUMKDJZ-HOGKFDNTSA-N -1 0 551.349 5.160 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000102552636 554962851 /nfs/dbraw/zinc/96/28/51/554962851.db2.gz FCVZALRKEHZLCE-CZNAVJSXSA-N -1 0 514.509 5.336 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102555371 554964087 /nfs/dbraw/zinc/96/40/87/554964087.db2.gz PSTWANZAFPUTRX-CJJGVWJISA-N -1 0 586.641 6.281 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102556595 554964741 /nfs/dbraw/zinc/96/47/41/554964741.db2.gz BVMMYNSCTIIXLV-HOGKFDNTSA-N -1 0 539.396 6.001 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102556603 554964951 /nfs/dbraw/zinc/96/49/51/554964951.db2.gz BVMMYNSCTIIXLV-MOBKVPTQSA-N -1 0 539.396 6.001 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102558597 554965833 /nfs/dbraw/zinc/96/58/33/554965833.db2.gz QHEKTAGIIFEHHU-WGGXKBPPSA-N -1 0 616.692 6.280 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102558380 554965904 /nfs/dbraw/zinc/96/59/04/554965904.db2.gz AFCBXSBZWIIEOU-FECHNCLXSA-N -1 0 520.969 6.039 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000102559851 554967248 /nfs/dbraw/zinc/96/72/48/554967248.db2.gz ITVQGEYQNUMPBG-BFLOGMOSSA-N -1 0 585.707 6.097 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(O)cc3)s2)cc1 ZINC000102560131 554967645 /nfs/dbraw/zinc/96/76/45/554967645.db2.gz SQKTUCBMBBYLFU-YDJIHCHBSA-N -1 0 505.577 5.064 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000102581540 554972537 /nfs/dbraw/zinc/97/25/37/554972537.db2.gz HIIWMOVEWZBIAO-FSDXSRJSSA-N -1 0 589.670 5.928 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102592494 554974252 /nfs/dbraw/zinc/97/42/52/554974252.db2.gz UUTAFOWEYWXXED-CJJGVWJISA-N -1 0 601.706 5.935 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102600587 554977623 /nfs/dbraw/zinc/97/76/23/554977623.db2.gz TYYVOUWXXDTTBI-DFXXOVSGSA-N -1 0 629.760 6.797 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1 ZINC000102601676 554977968 /nfs/dbraw/zinc/97/79/68/554977968.db2.gz SBDFHBPLNOGZTP-WGGXKBPPSA-N -1 0 626.687 6.029 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102602808 554978149 /nfs/dbraw/zinc/97/81/49/554978149.db2.gz PMEKKOHHBFCNGD-DFXXOVSGSA-N -1 0 623.712 6.390 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000102607083 554979819 /nfs/dbraw/zinc/97/98/19/554979819.db2.gz SZXZGOZNSLRECO-CJJGVWJISA-N -1 0 542.613 5.674 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102617546 554984853 /nfs/dbraw/zinc/98/48/53/554984853.db2.gz SGRFFHXBPPMVAC-ZHHPLPSFSA-N -1 0 579.606 5.506 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102620297 554986569 /nfs/dbraw/zinc/98/65/69/554986569.db2.gz FAZSKDWBEDZTMD-NXLSWJSLSA-N -1 0 619.652 5.154 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000102652057 554996528 /nfs/dbraw/zinc/99/65/28/554996528.db2.gz ABRLQZFVXMEBCH-XLNMUAQOSA-N -1 0 565.420 6.148 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCCC)c2)nc1C ZINC000102652700 554996881 /nfs/dbraw/zinc/99/68/81/554996881.db2.gz NDLPCZAVICQZPR-CJJGVWJISA-N -1 0 604.681 5.761 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102654612 554997791 /nfs/dbraw/zinc/99/77/91/554997791.db2.gz GKFCYGSISOMEGX-OFNYXUPYSA-N -1 0 569.639 5.384 50 30 KKEARM COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000102655698 554998305 /nfs/dbraw/zinc/99/83/05/554998305.db2.gz BNMMBKYWTOHHDV-RGKNCCAESA-N -1 0 586.666 5.889 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102671209 555002623 /nfs/dbraw/zinc/00/26/23/555002623.db2.gz IGHWROWUBAYKIH-HALAOQOWSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102673380 555003065 /nfs/dbraw/zinc/00/30/65/555003065.db2.gz IHAFYXDHGXPMTC-BBHOXHGRSA-N -1 0 592.098 6.139 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102681682 555005803 /nfs/dbraw/zinc/00/58/03/555005803.db2.gz KADWAWDAJPMILK-NSUOQXISSA-N -1 0 611.445 5.862 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102696150 555011179 /nfs/dbraw/zinc/01/11/79/555011179.db2.gz KULKPSJHOUBNRM-ZHHPLPSFSA-N -1 0 516.550 5.411 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102699294 555012434 /nfs/dbraw/zinc/01/24/34/555012434.db2.gz MCRPZUYMIDHYMF-AYWGPLOBSA-N -1 0 534.590 5.412 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102700148 555012688 /nfs/dbraw/zinc/01/26/88/555012688.db2.gz MQJCMPFZYBETQB-MOBKVPTQSA-N -1 0 502.548 5.173 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102701784 555013166 /nfs/dbraw/zinc/01/31/66/555013166.db2.gz GJIUGFBHMRLOCA-NHFXJNLRSA-N -1 0 525.449 6.309 50 30 KKEARM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102705120 555014344 /nfs/dbraw/zinc/01/43/44/555014344.db2.gz OITIKPXFWDJUST-ZHHPLPSFSA-N -1 0 504.539 5.387 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102719868 555019910 /nfs/dbraw/zinc/01/99/10/555019910.db2.gz RXTFSBGPLYOTFJ-HOGKFDNTSA-N -1 0 503.511 5.532 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC(C)C)cc3)sc2c1 ZINC000102730832 555023562 /nfs/dbraw/zinc/02/35/62/555023562.db2.gz KOSGXLGFYKICPH-CJJGVWJISA-N -1 0 512.631 6.581 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736963 555026498 /nfs/dbraw/zinc/02/64/98/555026498.db2.gz TWAIIZIRKRLBJO-FSISNWKMSA-N -1 0 543.557 5.163 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000102770826 555058172 /nfs/dbraw/zinc/05/81/72/555058172.db2.gz WCUOGRPSJCNIPT-YMCWBSDSSA-N -1 0 581.875 6.662 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771067 555059463 /nfs/dbraw/zinc/05/94/63/555059463.db2.gz PVQYELIFUBRXEV-YMCWBSDSSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771286 555059985 /nfs/dbraw/zinc/05/99/85/555059985.db2.gz UHFASTFAGTWKTI-XLNMUAQOSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771281 555060037 /nfs/dbraw/zinc/06/00/37/555060037.db2.gz UHFASTFAGTWKTI-FECHNCLXSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102771462 555060340 /nfs/dbraw/zinc/06/03/40/555060340.db2.gz OMHTWCZUVRDPNT-RPUIFAKWSA-N -1 0 559.644 5.919 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000102863372 555093299 /nfs/dbraw/zinc/09/32/99/555093299.db2.gz DLWZBESOHXRPLD-CJJGVWJISA-N -1 0 542.657 6.627 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102864382 555093898 /nfs/dbraw/zinc/09/38/98/555093898.db2.gz HRTORXYUFLOANO-HOGKFDNTSA-N -1 0 551.418 5.702 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864751 555094650 /nfs/dbraw/zinc/09/46/50/555094650.db2.gz UNLDCJSWLSDBCW-NXLSWJSLSA-N -1 0 551.020 5.992 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102869682 555099393 /nfs/dbraw/zinc/09/93/93/555099393.db2.gz WKBVHZAVEIJZDT-KNZGKXHUSA-N -1 0 577.456 6.017 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102872745 555103189 /nfs/dbraw/zinc/10/31/89/555103189.db2.gz CGKLBWYMUDFPHU-GHNGSUTGSA-N -1 0 500.935 5.047 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102873797 555104024 /nfs/dbraw/zinc/10/40/24/555104024.db2.gz ADSHLROOOJUMMC-LFVOPCPISA-N -1 0 517.415 6.300 50 30 KKEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCc3ccccc3)cc2C)[C@H]1c1cccc(Br)c1 ZINC000102873584 555104060 /nfs/dbraw/zinc/10/40/60/555104060.db2.gz UCXPQNOVRRRXOA-NPJIAGGLSA-N -1 0 536.422 5.405 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102875364 555105239 /nfs/dbraw/zinc/10/52/39/555105239.db2.gz VKDUISRDTYVNED-CJJGVWJISA-N -1 0 603.678 5.942 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102879032 555108131 /nfs/dbraw/zinc/10/81/31/555108131.db2.gz YADCUVYPBSLMSZ-MOBKVPTQSA-N -1 0 552.630 5.409 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881580 555110155 /nfs/dbraw/zinc/11/01/55/555110155.db2.gz KOGSMSYPLVBQQU-SBXHHDGASA-N -1 0 534.565 5.478 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102882752 555111044 /nfs/dbraw/zinc/11/10/44/555111044.db2.gz WCEUNLIJGMGECK-HOGKFDNTSA-N -1 0 508.958 6.114 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102884143 555112806 /nfs/dbraw/zinc/11/28/06/555112806.db2.gz VFOLQLCHSYQTJW-NHFXJNLRSA-N -1 0 525.811 6.339 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCCC)c2)nc1C ZINC000102884511 555113490 /nfs/dbraw/zinc/11/34/90/555113490.db2.gz PTNPNBJDGREFGC-NPJIAGGLSA-N -1 0 590.654 5.371 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102884532 555113791 /nfs/dbraw/zinc/11/37/91/555113791.db2.gz WZDSJZYFPBNZRD-CGOGNACUSA-N -1 0 539.009 5.231 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)s1 ZINC000102884620 555113809 /nfs/dbraw/zinc/11/38/09/555113809.db2.gz VYJGSBGMONSYPA-MOBKVPTQSA-N -1 0 503.605 5.422 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102884847 555114884 /nfs/dbraw/zinc/11/48/84/555114884.db2.gz DPMWTKALXRFBKJ-AYWGPLOBSA-N -1 0 565.445 6.011 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102886065 555116399 /nfs/dbraw/zinc/11/63/99/555116399.db2.gz LRAVKVKLASRJQM-JFTLGNCFSA-N -1 0 591.483 6.407 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886331 555116617 /nfs/dbraw/zinc/11/66/17/555116617.db2.gz SNPXSSCYTVELPD-UUALVTFQSA-N -1 0 591.085 6.916 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886507 555116903 /nfs/dbraw/zinc/11/69/03/555116903.db2.gz ZQXUWSYQDGMJKD-GMBUILNLSA-N -1 0 561.015 5.686 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102886514 555116961 /nfs/dbraw/zinc/11/69/61/555116961.db2.gz BAWGBKVCHDAURN-SBXHHDGASA-N -1 0 549.004 5.746 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102886516 555116971 /nfs/dbraw/zinc/11/69/71/555116971.db2.gz BAWGBKVCHDAURN-NXLSWJSLSA-N -1 0 549.004 5.746 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000102887358 555119277 /nfs/dbraw/zinc/11/92/77/555119277.db2.gz MXSGMNPGGXBBAC-DZTJFIFISA-N -1 0 629.760 6.578 50 30 KKEARM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888345 555121387 /nfs/dbraw/zinc/12/13/87/555121387.db2.gz NBSOEEJUHDOXQV-HYVCFMKYSA-N -1 0 584.694 6.742 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888404 555121427 /nfs/dbraw/zinc/12/14/27/555121427.db2.gz XRNRSNMWIIYLNP-QMDVFYPZSA-N -1 0 621.740 6.942 50 30 KKEARM CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000102888354 555121445 /nfs/dbraw/zinc/12/14/45/555121445.db2.gz RSYXPQOEMXIMBO-DHJMZRGKSA-N -1 0 542.613 5.709 50 30 KKEARM CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888338 555121563 /nfs/dbraw/zinc/12/15/63/555121563.db2.gz NBSOEEJUHDOXQV-LHKMDIPOSA-N -1 0 584.694 6.742 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102890203 555125326 /nfs/dbraw/zinc/12/53/26/555125326.db2.gz FSTCOWDZGYXJGX-HOGKFDNTSA-N -1 0 553.865 6.901 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891198 555126908 /nfs/dbraw/zinc/12/69/08/555126908.db2.gz HCGBABHEXWJFNQ-WBMUNJTESA-N -1 0 606.125 6.442 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102891995 555128108 /nfs/dbraw/zinc/12/81/08/555128108.db2.gz IVCUMHFCTVAFEW-GMBUILNLSA-N -1 0 533.005 5.908 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102893600 555131065 /nfs/dbraw/zinc/13/10/65/555131065.db2.gz FRWVAIHORZLONI-DFXXOVSGSA-N -1 0 628.703 6.159 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102893693 555131350 /nfs/dbraw/zinc/13/13/50/555131350.db2.gz GNOXBHNFHVRHAE-UUALVTFQSA-N -1 0 612.660 5.605 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102894002 555132037 /nfs/dbraw/zinc/13/20/37/555132037.db2.gz KCMYPNPNDFSGBE-UVDRRRQGSA-N -1 0 567.450 6.617 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102894939 555133195 /nfs/dbraw/zinc/13/31/95/555133195.db2.gz DYFAJRPVZQVTIN-IUKMQXEJSA-N -1 0 599.621 5.660 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895421 555134405 /nfs/dbraw/zinc/13/44/05/555134405.db2.gz FQQGDAFKVHBLNE-JVJOXMINSA-N -1 0 620.724 6.156 50 30 KKEARM CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1OC ZINC000102896782 555136835 /nfs/dbraw/zinc/13/68/35/555136835.db2.gz OXADDQXORPTXFI-RXDXAXPSSA-N -1 0 572.639 5.718 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899472 555139356 /nfs/dbraw/zinc/13/93/56/555139356.db2.gz SAEVUAAUPQMQLK-FGEDTZIGSA-N -1 0 613.761 6.877 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102924897 555149052 /nfs/dbraw/zinc/14/90/52/555149052.db2.gz NQDQTGWJSDFPSV-MOBKVPTQSA-N -1 0 553.409 6.223 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102927968 555152838 /nfs/dbraw/zinc/15/28/38/555152838.db2.gz AKCWMBFAULDYHG-WOOAAIBNSA-N -1 0 547.416 5.488 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928591 555154160 /nfs/dbraw/zinc/15/41/60/555154160.db2.gz LBCNWVIBKSRNFK-HOGKFDNTSA-N -1 0 502.523 5.157 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102929352 555155091 /nfs/dbraw/zinc/15/50/91/555155091.db2.gz CEBWLBZGHIGWEQ-HFEWCJDKSA-N -1 0 519.966 6.101 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102930139 555156519 /nfs/dbraw/zinc/15/65/19/555156519.db2.gz PWUDYMRKDCWQGG-MOBKVPTQSA-N -1 0 508.958 6.114 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102931487 555159184 /nfs/dbraw/zinc/15/91/84/555159184.db2.gz IZUQYWHESBHWDM-CJJGVWJISA-N -1 0 603.096 6.795 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102931538 555159206 /nfs/dbraw/zinc/15/92/06/555159206.db2.gz PLANNKKPWJPESB-JBCNATCCSA-N -1 0 505.508 5.131 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000103014702 555208539 /nfs/dbraw/zinc/20/85/39/555208539.db2.gz ZRQYOSIVWYAFOB-UHFFFAOYSA-N -1 0 625.216 7.540 50 30 KKEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl ZINC000103035856 555222891 /nfs/dbraw/zinc/22/28/91/555222891.db2.gz BZLGPBULXWPHCU-UHFFFAOYSA-N -1 0 618.524 5.218 50 30 KKEARM COc1cc(/C=C2\S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103698938 555463917 /nfs/dbraw/zinc/46/39/17/555463917.db2.gz OSNFHLNSUXYCMP-OQWAEUQUSA-N -1 0 548.705 6.910 50 30 KKEARM CCCCCCCCCCCCCCCCOCCCO[P@](=O)([O-])COS(=O)(=O)c1ccc(C)cc1 ZINC000113195735 571438539 /nfs/dbraw/zinc/43/85/39/571438539.db2.gz FVSLZCGRQJPZGG-UHFFFAOYSA-N -1 0 548.723 7.748 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(Oc3ccccc3)cc2)nc1C ZINC000138215077 571451187 /nfs/dbraw/zinc/45/11/87/571451187.db2.gz PGUMMBMMCJURCG-JOCHJYFZSA-N -1 0 530.558 5.796 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000150352603 571462555 /nfs/dbraw/zinc/46/25/55/571462555.db2.gz WACLKJCYAICKHL-YCPBAFNGSA-N -1 0 635.026 7.467 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(-c3cccc4ccccc43)oc2c1 ZINC000150391466 571473717 /nfs/dbraw/zinc/47/37/17/571473717.db2.gz JPUFAZGJNYAQMB-UVHMKAGCSA-N -1 0 616.196 7.313 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000150413151 571484826 /nfs/dbraw/zinc/48/48/26/571484826.db2.gz CGNINLSWZYXAQP-SANMLTNESA-N -1 0 636.557 8.521 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424260 571489018 /nfs/dbraw/zinc/48/90/18/571489018.db2.gz RZKYBAODPJLHPE-AHPONGEQSA-N -1 0 687.840 7.360 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424263 571489023 /nfs/dbraw/zinc/48/90/23/571489023.db2.gz RZKYBAODPJLHPE-ZORLYMSLSA-N -1 0 687.840 7.360 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424450 571489116 /nfs/dbraw/zinc/48/91/16/571489116.db2.gz ALNMPYLJCQPDIK-QMMFTLRZSA-N -1 0 708.258 7.705 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424441 571489202 /nfs/dbraw/zinc/48/92/02/571489202.db2.gz XHHIFHWTMOCGJJ-NNZNMFTDSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000150424791 571489337 /nfs/dbraw/zinc/48/93/37/571489337.db2.gz CTAWVJVNFGXURT-QMMFTLRZSA-N -1 0 742.703 8.358 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000150424937 571489542 /nfs/dbraw/zinc/48/95/42/571489542.db2.gz DLLDVSBPYIPKPC-CDXXWDJZSA-N -1 0 721.901 8.757 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426804 571491176 /nfs/dbraw/zinc/49/11/76/571491176.db2.gz UECPOOLZHDSPEC-SBXHHDGASA-N -1 0 636.107 5.668 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435562 571495526 /nfs/dbraw/zinc/49/55/26/571495526.db2.gz ZZILABCOXMIXAC-XSYNSRRPSA-N -1 0 760.721 9.065 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150435828 571495858 /nfs/dbraw/zinc/49/58/58/571495858.db2.gz QESWFICZRKWJDI-ZORLYMSLSA-N -1 0 655.128 7.325 50 30 KKEARM C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000150438619 571497048 /nfs/dbraw/zinc/49/70/48/571497048.db2.gz VIPHFKISQKLDND-UHFFFAOYSA-N -1 0 697.235 5.620 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440075 571497829 /nfs/dbraw/zinc/49/78/29/571497829.db2.gz IXWKXDUJSMOLAL-QCRSBAEDSA-N -1 0 709.821 7.897 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150445851 571500605 /nfs/dbraw/zinc/50/06/05/571500605.db2.gz OFZMUGYCGMCRGQ-VXJPNWOUSA-N -1 0 662.233 8.003 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445872 571500950 /nfs/dbraw/zinc/50/09/50/571500950.db2.gz OFGLHEMHLKWAMY-NSOCNUKWSA-N -1 0 632.163 6.998 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150453994 571503775 /nfs/dbraw/zinc/50/37/75/571503775.db2.gz HISKGDICXHCIRS-UWUYKNAISA-N -1 0 697.838 8.512 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150454014 571503814 /nfs/dbraw/zinc/50/38/14/571503814.db2.gz HISKGDICXHCIRS-CYRRUZCLSA-N -1 0 697.838 8.512 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150455055 571504380 /nfs/dbraw/zinc/50/43/80/571504380.db2.gz YFJTYLYNZIFHPX-AHPONGEQSA-N -1 0 636.682 6.290 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457719 571504910 /nfs/dbraw/zinc/50/49/10/571504910.db2.gz MKHIVYJSBDUFCO-QMNXYOJKSA-N -1 0 692.259 8.011 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150457510 571504929 /nfs/dbraw/zinc/50/49/29/571504929.db2.gz NRFLOGLIMJYIIX-QBCYBHDASA-N -1 0 645.778 7.488 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457918 571505310 /nfs/dbraw/zinc/50/53/10/571505310.db2.gz OYVLFCJSEYMCOG-NNZNMFTDSA-N -1 0 665.768 7.498 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000150458802 571505458 /nfs/dbraw/zinc/50/54/58/571505458.db2.gz FVOAECDJDNKZBH-WGGXKBPPSA-N -1 0 640.714 6.325 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459173 571505730 /nfs/dbraw/zinc/50/57/30/571505730.db2.gz HGKKTZNKTYTPJK-NSOCNUKWSA-N -1 0 634.179 7.222 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460582 571506031 /nfs/dbraw/zinc/50/60/31/571506031.db2.gz OGZWQOFRWNQHLP-JNYBUSFRSA-N -1 0 689.831 7.887 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460454 571506146 /nfs/dbraw/zinc/50/61/46/571506146.db2.gz ALQKXVGNBJDBLA-QMDVFYPZSA-N -1 0 661.777 7.107 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461148 571506423 /nfs/dbraw/zinc/50/64/23/571506423.db2.gz FEIIJYJUZCVHIQ-JNYBUSFRSA-N -1 0 689.831 7.887 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150461143 571506427 /nfs/dbraw/zinc/50/64/27/571506427.db2.gz FEIIJYJUZCVHIQ-NNZNMFTDSA-N -1 0 689.831 7.887 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462757 571506726 /nfs/dbraw/zinc/50/67/26/571506726.db2.gz MBJLCGGBLNTLAV-JNYBUSFRSA-N -1 0 706.286 8.401 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150462753 571506790 /nfs/dbraw/zinc/50/67/90/571506790.db2.gz MBJLCGGBLNTLAV-NBXYUPGTSA-N -1 0 706.286 8.401 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000150463053 571506903 /nfs/dbraw/zinc/50/69/03/571506903.db2.gz MDERYTBUDOXSNU-DFXXOVSGSA-N -1 0 648.734 6.015 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463368 571507207 /nfs/dbraw/zinc/50/72/07/571507207.db2.gz ZZKHMJFNQCFEHC-RIEKNRFYSA-N -1 0 647.778 7.498 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463643 571507277 /nfs/dbraw/zinc/50/72/77/571507277.db2.gz JURGPKJLMVEWAT-JVJOXMINSA-N -1 0 634.179 7.222 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150469583 571508756 /nfs/dbraw/zinc/50/87/56/571508756.db2.gz SSYOSIZMFQTOLQ-TXTDGAROSA-N -1 0 647.750 6.792 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471586 571509570 /nfs/dbraw/zinc/50/95/70/571509570.db2.gz NKLITVLXWCXDHB-LHKMDIPOSA-N -1 0 678.232 7.621 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150471601 571509640 /nfs/dbraw/zinc/50/96/40/571509640.db2.gz ZBTBGLGJEGZDSE-NYFCFKJUSA-N -1 0 710.661 8.050 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471839 571509743 /nfs/dbraw/zinc/50/97/43/571509743.db2.gz POCQPKNZSQCEOR-QMMFTLRZSA-N -1 0 708.258 7.849 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150480660 571512117 /nfs/dbraw/zinc/51/21/17/571512117.db2.gz ISIQXNWITAGHAT-DFXXOVSGSA-N -1 0 698.650 7.960 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485508 571515849 /nfs/dbraw/zinc/51/58/49/571515849.db2.gz VCUUNFCHLULILX-HKBQPEDESA-N -1 0 704.899 9.377 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000150624060 571523523 /nfs/dbraw/zinc/52/35/23/571523523.db2.gz IYVZYMJOUVYKGX-ZONNCAFXSA-N -1 0 637.077 6.830 50 30 KKEARM CC(=O)[N-][C@@H](OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(Cl)(Cl)Cl ZINC000150628745 571523834 /nfs/dbraw/zinc/52/38/34/571523834.db2.gz OEVLNYFTRAVIFO-YFKPBYRVSA-N -1 0 720.553 7.818 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000239165116 572190993 /nfs/dbraw/zinc/19/09/93/572190993.db2.gz NLUPWCBZHLVZQB-UHFFFAOYSA-N -1 0 523.037 5.653 50 30 KKEARM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000242473331 572197332 /nfs/dbraw/zinc/19/73/32/572197332.db2.gz FGNSJITXQYOLGG-HPUWZBBOSA-N -1 0 707.927 7.294 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(NC3CC3)C4=O)NC(=O)C(C)=CC=C[C@H](C)[C@@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245240178 572213732 /nfs/dbraw/zinc/21/37/32/572213732.db2.gz MPGGPTSGIYWEOI-JHOOTERJSA-N -1 0 790.907 5.508 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(N3CCOCC3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000245240420 572213858 /nfs/dbraw/zinc/21/38/58/572213858.db2.gz RKWNQZAGHWKBAH-DWNFVHOLSA-N -1 0 820.933 5.089 50 30 KKEARM O=c1c(N=Nc2ccccc2C(F)(F)F)c(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000252462447 572261327 /nfs/dbraw/zinc/26/13/27/572261327.db2.gz SHVXKVANNYVTRM-UHFFFAOYSA-N -1 0 570.394 6.810 50 30 KKEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000252588332 572266374 /nfs/dbraw/zinc/26/63/74/572266374.db2.gz AAPOWOBRQSFKDA-UHFFFAOYSA-N -1 0 560.000 5.073 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000252604853 572267764 /nfs/dbraw/zinc/26/77/64/572267764.db2.gz GEMDCZZJCLDKEH-AUPMCDJLSA-N -1 0 589.673 7.038 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)c1 ZINC000252621450 572269640 /nfs/dbraw/zinc/26/96/40/572269640.db2.gz MYSXVDCJTYBESJ-UHFFFAOYSA-N -1 0 534.248 7.044 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000252623448 572270022 /nfs/dbraw/zinc/27/00/22/572270022.db2.gz ORPNVZUSOCPRDW-IGCOFKRXSA-N -1 0 609.542 7.528 50 30 KKEARM COC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4[O-])cc3s2)cc1 ZINC000252625433 572270366 /nfs/dbraw/zinc/27/03/66/572270366.db2.gz QJSFQZUJHIHDEL-UHFFFAOYSA-N -1 0 729.359 6.479 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc43)SC2=Nc2ccccc2)cc1 ZINC000252627471 572270788 /nfs/dbraw/zinc/27/07/88/572270788.db2.gz RVBQJAFCJBGSQS-QTWKZHRCSA-N -1 0 588.660 8.060 50 30 KKEARM CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CON=Cc1ccccc1O ZINC000252630451 572271348 /nfs/dbraw/zinc/27/13/48/572271348.db2.gz UZYHIWNDHGVEGO-UHFFFAOYSA-N -1 0 503.374 5.049 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000252630726 572271474 /nfs/dbraw/zinc/27/14/74/572271474.db2.gz VEGCJRPMOGORKG-UHFFFAOYSA-N -1 0 622.071 6.101 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=Nc2ccccc2)cc1 ZINC000252635701 572271841 /nfs/dbraw/zinc/27/18/41/572271841.db2.gz WZNBHTWGANPFEI-CJUPBPKFSA-N -1 0 525.542 6.357 50 30 KKEARM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@H]21 ZINC000253387670 572282639 /nfs/dbraw/zinc/28/26/39/572282639.db2.gz SEOJRLKLAQEBSW-NGEGMAJUSA-N -1 0 631.898 7.386 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)C1=O)O2 ZINC000253404986 572286080 /nfs/dbraw/zinc/28/60/80/572286080.db2.gz IBBWXKCKNQRBHV-NBALRPHNSA-N -1 0 562.622 5.472 50 30 KKEARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3cc(F)c(F)c(F)c3)C5=O)o2)cc1 ZINC000253412831 572288254 /nfs/dbraw/zinc/28/82/54/572288254.db2.gz SELCESBFBTZXJY-OYPWENPISA-N -1 0 532.426 6.119 50 30 KKEARM CCCCCCCCCCCCCCCCNC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O ZINC000253415172 572289204 /nfs/dbraw/zinc/28/92/04/572289204.db2.gz ZWRGLEUZBDFBOW-FALSPQAJSA-N -1 0 567.767 7.640 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253498582 572292689 /nfs/dbraw/zinc/29/26/89/572292689.db2.gz APYIVIUDKTVWSJ-VQMDRCBSSA-N -1 0 548.724 5.902 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253498579 572292691 /nfs/dbraw/zinc/29/26/91/572292691.db2.gz APYIVIUDKTVWSJ-CWHZKSSUSA-N -1 0 548.724 5.902 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)c2c1 ZINC000253504805 572296760 /nfs/dbraw/zinc/29/67/60/572296760.db2.gz DWMYNKHBZJVIJZ-LNMWKXKESA-N -1 0 604.744 5.757 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCCc5c6cc(OC)ccc6[nH]c5C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505320 572296915 /nfs/dbraw/zinc/29/69/15/572296915.db2.gz JRUNXVYFOIYFBW-VIUBMCBZSA-N -1 0 601.744 5.233 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533376 572299440 /nfs/dbraw/zinc/29/94/40/572299440.db2.gz JFBCPEYXJIIHIY-IGGZEZEISA-N -1 0 558.760 5.238 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CON=C3C=C[C@@]4(C)C(=C3)CC[C@H]3[C@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]34)c2c1 ZINC000253533601 572299568 /nfs/dbraw/zinc/29/95/68/572299568.db2.gz OAYWHZMJOWQING-FSPCHCMHSA-N -1 0 589.733 5.396 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253534151 572299781 /nfs/dbraw/zinc/29/97/81/572299781.db2.gz ZPXHVNPZTXFIOI-ZKNWFQRSSA-N -1 0 534.697 5.224 50 30 KKEARM CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000101055240 1069769008 /nfs/dbraw/zinc/76/90/08/1069769008.db2.gz KLGWFBUHDHGZAW-FFBNYTFJSA-N -1 0 585.208 6.098 50 30 KKEARM CC(C)(C)c1cc(C(F)(F)F)nc(NC([O-])=NS(=O)(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000022779324 1069815964 /nfs/dbraw/zinc/81/59/64/1069815964.db2.gz HETYCMHCFOUZFI-UHFFFAOYSA-N -1 0 507.538 5.070 50 30 KKEARM C=C(C)COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1 ZINC000217812123 1071292704 /nfs/dbraw/zinc/29/27/04/1071292704.db2.gz NOYPKRXHHRKFGW-IBGZPJMESA-N -1 0 500.503 5.276 50 30 biogenic KKEARM CCCCCCCCOc1ccc([C@@H](CC(=O)OC)C2=C([O-])C(=O)C([C@H](CC(=O)OC)c3ccc(OCCCCCCCC)cc3)C(=O)C2=O)cc1 ZINC000217940340 1071293748 /nfs/dbraw/zinc/29/37/48/1071293748.db2.gz GPHLLQKPQKUOBL-KKLWWLSJSA-N -1 0 720.900 8.935 50 30 biogenic KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC=CC1N(C)c2ccccc2C1(C)C ZINC000886005349 1071314617 /nfs/dbraw/zinc/31/46/17/1071314617.db2.gz YHAOTYSETHQLGD-BFFSMKDISA-N -1 0 521.599 5.113 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000685945320 1072826527 /nfs/dbraw/zinc/82/65/27/1072826527.db2.gz BPZUZPZIERBDSY-KUWYHPFGSA-N -1 0 564.811 8.287 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000254292420 1072844335 /nfs/dbraw/zinc/84/43/35/1072844335.db2.gz UXTUYTNQZRDUER-UHFFFAOYSA-N -1 0 647.710 5.802 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1 ZINC000254384834 1072850797 /nfs/dbraw/zinc/85/07/97/1072850797.db2.gz XWCGUMKLFJLFSM-UHFFFAOYSA-N -1 0 591.693 7.928 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000254520395 1072862323 /nfs/dbraw/zinc/86/23/23/1072862323.db2.gz NJULEYJYDJFSHD-UHFFFAOYSA-N -1 0 532.578 5.429 50 30 KKEARM O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000254753628 1072876482 /nfs/dbraw/zinc/87/64/82/1072876482.db2.gz MYVLBVBZSDUWLA-UHFFFAOYSA-N -1 0 505.191 5.238 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000254763667 1072878038 /nfs/dbraw/zinc/87/80/38/1072878038.db2.gz QCIOHTDTAPSQPN-UHFFFAOYSA-N -1 0 541.589 5.999 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)[C@@H](C#N)C(N)=O ZINC000001203785 1072889841 /nfs/dbraw/zinc/88/98/41/1072889841.db2.gz STVKGXUKYGKAFO-XLIONFOSSA-N -1 0 587.297 5.292 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCOCC4)n3)c2)c1 ZINC000068572906 1072900878 /nfs/dbraw/zinc/90/08/78/1072900878.db2.gz NKXCCLIJXWJVHQ-STKMKYKTSA-N -1 0 588.628 6.286 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533727 195478512 /nfs/dbraw/zinc/47/85/12/195478512.db2.gz QLSKKZPCPDCUDT-RJMNTGJYSA-N -1 0 573.734 5.820 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000000631129 551505039 /nfs/dbraw/zinc/50/50/39/551505039.db2.gz XSWXZQIPVGUTQQ-IBGZPJMESA-N -1 0 512.971 5.073 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000631146 551505074 /nfs/dbraw/zinc/50/50/74/551505074.db2.gz BAJJUBNZLDBFLH-LJQANCHMSA-N -1 0 512.971 5.073 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000000631067 551505087 /nfs/dbraw/zinc/50/50/87/551505087.db2.gz SSVDCJNAOGIWTQ-SFHVURJKSA-N -1 0 545.386 5.313 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651978 551512953 /nfs/dbraw/zinc/51/29/53/551512953.db2.gz BFLIMQRXKTXFPU-JRPXNJEYSA-N -1 0 525.561 5.669 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC ZINC000000660374 551515958 /nfs/dbraw/zinc/51/59/58/551515958.db2.gz XLHOJIQMUUUFLG-UHFFFAOYSA-N -1 0 574.512 6.017 50 30 KKEARM CN(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000718109 551534965 /nfs/dbraw/zinc/53/49/65/551534965.db2.gz UGZFCRYLVXODPS-ROTAYESASA-N -1 0 544.051 6.171 50 30 KKEARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(OC(C)C)cc3)C2)cc1 ZINC000000718130 551535054 /nfs/dbraw/zinc/53/50/54/551535054.db2.gz RWAYGMISOWDGPF-IANOAQMISA-N -1 0 538.644 6.548 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)S/C2=N\c2ccccc2)cc1 ZINC000000979926 551591771 /nfs/dbraw/zinc/59/17/71/551591771.db2.gz ATPIUDAJKRKSEQ-WZNPNLAZSA-N -1 0 524.558 5.888 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097618 551607979 /nfs/dbraw/zinc/60/79/79/551607979.db2.gz HRLPTMVMFGNOFG-SLQAJWMNSA-N -1 0 545.979 6.014 50 30 KKEARM COC(=O)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001306044 551638982 /nfs/dbraw/zinc/63/89/82/551638982.db2.gz KLSJULGXXAIOPT-CAQRMWTPSA-N -1 0 580.681 6.536 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409613 551664202 /nfs/dbraw/zinc/66/42/02/551664202.db2.gz JHHHAPPYPUVOJT-URAOTHONSA-N -1 0 515.009 6.414 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437518 551671466 /nfs/dbraw/zinc/67/14/66/551671466.db2.gz UVNNOHLJUICXHP-DEXQXJORSA-N -1 0 561.591 5.704 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001449484 551674812 /nfs/dbraw/zinc/67/48/12/551674812.db2.gz HDXQRAPFDWQNTE-DEOSSOPVSA-N -1 0 544.585 5.273 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000001449485 551674854 /nfs/dbraw/zinc/67/48/54/551674854.db2.gz HDXQRAPFDWQNTE-XMMPIXPASA-N -1 0 544.585 5.273 50 30 KKEARM COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453811 551676324 /nfs/dbraw/zinc/67/63/24/551676324.db2.gz MNVGOQCVRBJFQQ-PKHCJMHPSA-N -1 0 556.615 5.478 50 30 biogenic KKEARM COc1cc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453810 551676460 /nfs/dbraw/zinc/67/64/60/551676460.db2.gz MNVGOQCVRBJFQQ-GEFUHLBYSA-N -1 0 556.615 5.478 50 30 biogenic KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001457410 551677034 /nfs/dbraw/zinc/67/70/34/551677034.db2.gz PQRIYVITRYNSCS-BGOLNKOXSA-N -1 0 526.589 5.469 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001457571 551677063 /nfs/dbraw/zinc/67/70/63/551677063.db2.gz AWUVMGNLLWGWBU-UVDDSOTQSA-N -1 0 510.590 5.769 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001479926 551681216 /nfs/dbraw/zinc/68/12/16/551681216.db2.gz DEFDJCIFVMCDMV-HXUWFJFHSA-N -1 0 541.448 6.302 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000001480876 551682213 /nfs/dbraw/zinc/68/22/13/551682213.db2.gz HOMBCLAVUIDHNW-QHCPKHFHSA-N -1 0 534.565 5.634 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001481477 551682635 /nfs/dbraw/zinc/68/26/35/551682635.db2.gz XJCKOWHHAKMGTF-QHCPKHFHSA-N -1 0 550.564 5.253 50 30 KKEARM CCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002054346 551739409 /nfs/dbraw/zinc/73/94/09/551739409.db2.gz DVUIITQZWIJJCB-MFKUBSTISA-N -1 0 507.270 7.378 50 30 KKEARM Cc1ccccc1/N=C1\S/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C(=O)N1c1ccccc1C ZINC000002081917 551752017 /nfs/dbraw/zinc/75/20/17/551752017.db2.gz OGUYPIFCAPACPI-GWISFZTMSA-N -1 0 537.435 6.338 50 30 KKEARM CCc1ccc(/N=C2\S/C(=C\c3cc(Cl)cc(Br)c3[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000002081878 551752021 /nfs/dbraw/zinc/75/20/21/551752021.db2.gz JCPPAOVPLKYLDI-XNLNZBGWSA-N -1 0 541.898 7.742 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCC(=O)[O-] ZINC000002123949 551771473 /nfs/dbraw/zinc/77/14/73/551771473.db2.gz DZXKTVGBOPQCQU-UHFFFAOYSA-N -1 0 592.530 6.798 50 30 KKEARM O=C([O-])c1cccc(/N=C2/NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)S2)c1 ZINC000002773824 552185785 /nfs/dbraw/zinc/18/57/85/552185785.db2.gz YEGYVXYVIRHNHF-MTJSOVHGSA-N -1 0 543.826 6.271 50 30 KKEARM [O-]c1c(I)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000003049932 552277059 /nfs/dbraw/zinc/27/70/59/552277059.db2.gz BKGBIBYHWRCABF-YSURURNPSA-N -1 0 537.126 6.457 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3o2)cc1 ZINC000003102926 552288197 /nfs/dbraw/zinc/28/81/97/552288197.db2.gz DRIISSMBXPLYIU-UVHMKAGCSA-N -1 0 528.244 7.774 50 30 KKEARM Cc1c(Br)c([O-])c(Br)c(O)c1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000003113127 552289852 /nfs/dbraw/zinc/28/98/52/552289852.db2.gz VNNXDCJAGITXCL-YCPBAFNGSA-N -1 0 520.152 6.629 50 30 KKEARM COc1cc(Br)c(Br)c(/C=N/c2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000003113595 552289859 /nfs/dbraw/zinc/28/98/59/552289859.db2.gz JSDCXDXPFRSNGV-KIBLKLHPSA-N -1 0 532.188 6.499 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003113744 552290041 /nfs/dbraw/zinc/29/00/41/552290041.db2.gz QXYNOGMZSKYGRL-YCPBAFNGSA-N -1 0 541.026 7.783 50 30 KKEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1 ZINC000003659901 552405553 /nfs/dbraw/zinc/40/55/53/552405553.db2.gz FWYSYDFSMYMNOK-WBSLIQCRSA-N -1 0 551.184 6.363 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccc(Br)cc1 ZINC000003663596 552408053 /nfs/dbraw/zinc/40/80/53/552408053.db2.gz RVBNALZZDKLAAE-NSKAYECMSA-N -1 0 567.317 7.553 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(NCc3ccco3)n2)cc1 ZINC000004044940 552430587 /nfs/dbraw/zinc/43/05/87/552430587.db2.gz YPHQABTZFTWPLO-KBKYJPHKSA-N -1 0 589.248 5.506 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1cccc(F)c1 ZINC000004662462 552471484 /nfs/dbraw/zinc/47/14/84/552471484.db2.gz CUZPOAINVZZNFO-UHFFFAOYSA-N -1 0 545.651 6.565 50 30 KKEARM O=S(=O)(Nc1cccc2ccccc21)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Nc3cccc4ccccc43)ccc1-2 ZINC000005344922 552497693 /nfs/dbraw/zinc/49/76/93/552497693.db2.gz SNPMBVFBYXLMRY-UHFFFAOYSA-N -1 0 605.697 6.802 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005355491 552498561 /nfs/dbraw/zinc/49/85/61/552498561.db2.gz YWLRICMRSYUURU-DEOSSOPVSA-N -1 0 619.493 6.966 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919201 552512353 /nfs/dbraw/zinc/51/23/53/552512353.db2.gz SKMINXOTNHPCBJ-VWLOTQADSA-N -1 0 578.687 6.297 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005919163 552512415 /nfs/dbraw/zinc/51/24/15/552512415.db2.gz SKMINXOTNHPCBJ-RUZDIDTESA-N -1 0 578.687 6.297 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000005919062 552512478 /nfs/dbraw/zinc/51/24/78/552512478.db2.gz PDAYZJYLJWAXEU-QHCPKHFHSA-N -1 0 566.632 5.135 50 30 KKEARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146144 552547647 /nfs/dbraw/zinc/54/76/47/552547647.db2.gz RRJRNGKFUAFZNF-UHFFFAOYSA-N -1 0 524.595 6.168 50 30 KKEARM O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146953 552548536 /nfs/dbraw/zinc/54/85/36/552548536.db2.gz HBJMSDOICQUIMA-UHFFFAOYSA-N -1 0 506.399 5.916 50 30 KKEARM O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000006146973 552548562 /nfs/dbraw/zinc/54/85/62/552548562.db2.gz JMKSQSSPWFJCTI-UHFFFAOYSA-N -1 0 541.963 6.308 50 30 KKEARM N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006189599 552562900 /nfs/dbraw/zinc/56/29/00/552562900.db2.gz KCEWBLALPKPKCW-UHFFFAOYSA-N -1 0 581.648 5.689 50 30 KKEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000006600414 552602504 /nfs/dbraw/zinc/60/25/04/552602504.db2.gz ZDTZOQFYIZREPO-OVVQPSECSA-N -1 0 573.089 7.010 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383358 552986588 /nfs/dbraw/zinc/98/65/88/552986588.db2.gz PWMUGMSHUYONLH-SANMLTNESA-N -1 0 585.682 7.622 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000008383461 552986877 /nfs/dbraw/zinc/98/68/77/552986877.db2.gz ZWILMJBEOCXOMT-SANMLTNESA-N -1 0 617.680 6.906 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC ZINC000008383988 552988284 /nfs/dbraw/zinc/98/82/84/552988284.db2.gz GTPPIILSVJYRCM-AREMUKBSSA-N -1 0 629.716 6.694 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008383986 552988322 /nfs/dbraw/zinc/98/83/22/552988322.db2.gz FEEMLBZFVLLGMN-SANMLTNESA-N -1 0 567.692 7.230 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000008384031 552988737 /nfs/dbraw/zinc/98/87/37/552988737.db2.gz JWYMEIUZAAQFSV-XMMPIXPASA-N -1 0 574.083 7.321 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000008384036 552988742 /nfs/dbraw/zinc/98/87/42/552988742.db2.gz JWYMEIUZAAQFSV-DEOSSOPVSA-N -1 0 574.083 7.321 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000008384082 552988822 /nfs/dbraw/zinc/98/88/22/552988822.db2.gz NEWTTYMLPUJFST-XMMPIXPASA-N -1 0 590.082 7.022 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000008386732 552992568 /nfs/dbraw/zinc/99/25/68/552992568.db2.gz BATJRTKVRNJLLT-UVHMKAGCSA-N -1 0 616.196 7.313 50 30 KKEARM COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000008396211 552994838 /nfs/dbraw/zinc/99/48/38/552994838.db2.gz ADADXTFXHBZTQU-UHFFFAOYSA-N -1 0 557.687 6.296 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000008396340 552995400 /nfs/dbraw/zinc/99/54/00/552995400.db2.gz LDEXSAJYKKIZII-UHFFFAOYSA-N -1 0 641.002 7.842 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OCc1cccc(F)c1 ZINC000008396485 552995501 /nfs/dbraw/zinc/99/55/01/552995501.db2.gz WDZKRXJHVRVDAG-UHFFFAOYSA-N -1 0 610.122 7.227 50 30 KKEARM O=c1c(N=Nc2ccc([N+](=O)[O-])cc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008396566 552995526 /nfs/dbraw/zinc/99/55/26/552995526.db2.gz MPLVIKCZHTYHJB-XAYXJRQQSA-N -1 0 547.394 5.700 50 30 KKEARM O=c1c(N=Nc2ccc(Cl)cc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008397525 552996867 /nfs/dbraw/zinc/99/68/67/552996867.db2.gz ZVIINCPFSWFNES-QUPMIFSKSA-N -1 0 537.388 6.244 50 30 KKEARM CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCC(=O)[O-] ZINC000008400562 553004999 /nfs/dbraw/zinc/00/49/99/553004999.db2.gz JXICLLZRGVIRCQ-DQLZYPLSSA-N -1 0 571.655 5.885 50 30 KKEARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)cc2)s1 ZINC000008427377 553019914 /nfs/dbraw/zinc/01/99/14/553019914.db2.gz LBMPIUFCACVAGT-UHFFFAOYSA-N -1 0 623.495 5.764 50 30 KKEARM CN(/N=C/c1cc(Br)ccc1O)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 ZINC000008435043 553029582 /nfs/dbraw/zinc/02/95/82/553029582.db2.gz YUNIKACVZVUXHP-JFLMPSFJSA-N -1 0 538.243 6.512 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000008437897 553032164 /nfs/dbraw/zinc/03/21/64/553032164.db2.gz KKWSRZKQWBOKAV-UHFFFAOYSA-N -1 0 661.420 8.105 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441064 553039555 /nfs/dbraw/zinc/03/95/55/553039555.db2.gz CLUDXZJPTMVKLP-JOCHJYFZSA-N -1 0 537.410 6.543 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441244 553040023 /nfs/dbraw/zinc/04/00/23/553040023.db2.gz ORCUAOFUEWDEEQ-AREMUKBSSA-N -1 0 581.675 6.924 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2cccs2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441775 553042146 /nfs/dbraw/zinc/04/21/46/553042146.db2.gz CBQSKATXXRJBFR-RUZDIDTESA-N -1 0 581.700 7.574 50 30 KKEARM CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1 ZINC000008461768 553075184 /nfs/dbraw/zinc/07/51/84/553075184.db2.gz MEYCXOYFLJPZOT-BNFGDHFKSA-N -1 0 546.601 5.383 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000008461837 553075445 /nfs/dbraw/zinc/07/54/45/553075445.db2.gz HTPVZBKCPIEZBQ-UHFFFAOYSA-N -1 0 591.104 6.128 50 30 KKEARM [O-]c1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1Br ZINC000008694752 553120620 /nfs/dbraw/zinc/12/06/20/553120620.db2.gz MZYLNJPTBWJDKN-BRJLIKDPSA-N -1 0 571.233 5.741 50 30 KKEARM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695606 553122394 /nfs/dbraw/zinc/12/23/94/553122394.db2.gz YMRQHZCVMINGGF-JRPXNJEYSA-N -1 0 515.009 6.414 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000008739269 553131397 /nfs/dbraw/zinc/13/13/97/553131397.db2.gz IMNYBTVHQUPUHM-VYQGSPINSA-N -1 0 534.524 6.555 50 30 biogenic KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008741004 553132478 /nfs/dbraw/zinc/13/24/78/553132478.db2.gz UZDODZWHTCEZHX-FQEVSTJZSA-N -1 0 509.381 5.997 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008816708 553152084 /nfs/dbraw/zinc/15/20/84/553152084.db2.gz PVJZOHDHXORRNY-GOSISDBHSA-N -1 0 500.935 5.204 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000008817910 553153164 /nfs/dbraw/zinc/15/31/64/553153164.db2.gz BBKVDSABWRYFRI-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM CCOc1[n-]n(-c2ncc(C(F)(F)F)cc2Cl)c(=O)c1C=NOCc1ccc(Cl)cc1Cl ZINC000008873797 553174900 /nfs/dbraw/zinc/17/49/00/553174900.db2.gz BRQDPYFUMXLLFK-CLKXZZGPSA-N -1 0 509.699 5.576 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008905351 553183729 /nfs/dbraw/zinc/18/37/29/553183729.db2.gz NZUKHQCCNZTPTE-GOSISDBHSA-N -1 0 500.935 5.204 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973269 553195163 /nfs/dbraw/zinc/19/51/63/553195163.db2.gz RNLRSQDMXHFLMY-NRFANRHFSA-N -1 0 505.483 5.135 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccccc1 ZINC000008973715 553195600 /nfs/dbraw/zinc/19/56/00/553195600.db2.gz FBOLFPADUFCVEP-HXUWFJFHSA-N -1 0 509.356 5.981 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009012090 553199871 /nfs/dbraw/zinc/19/98/71/553199871.db2.gz MEZMNOLDGUIJQP-QHCPKHFHSA-N -1 0 513.468 5.514 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009044849 553203232 /nfs/dbraw/zinc/20/32/32/553203232.db2.gz SDCULVRBLRLKSE-JOCHJYFZSA-N -1 0 506.898 5.208 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009044855 553203281 /nfs/dbraw/zinc/20/32/81/553203281.db2.gz SDCULVRBLRLKSE-QFIPXVFZSA-N -1 0 506.898 5.208 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000009045725 553203504 /nfs/dbraw/zinc/20/35/04/553203504.db2.gz ZEYUGEDCKDKTHF-HSZRJFAPSA-N -1 0 520.538 5.244 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009046222 553203826 /nfs/dbraw/zinc/20/38/26/553203826.db2.gz XKEHJZWZHCCZKQ-QFIPXVFZSA-N -1 0 502.548 5.384 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2OC)cc1 ZINC000009066962 553206440 /nfs/dbraw/zinc/20/64/40/553206440.db2.gz JOONHZJWNDBXBR-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1 ZINC000009069280 553206771 /nfs/dbraw/zinc/20/67/71/553206771.db2.gz SGHNRUDXDLERKT-IBGZPJMESA-N -1 0 513.344 5.882 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009122751 553212156 /nfs/dbraw/zinc/21/21/56/553212156.db2.gz YNSNWNCWBYZRNA-QFIPXVFZSA-N -1 0 508.958 6.270 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000009175809 553216066 /nfs/dbraw/zinc/21/60/66/553216066.db2.gz OAFUMWCGVBPAFV-HXUWFJFHSA-N -1 0 514.987 5.222 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009176332 553216154 /nfs/dbraw/zinc/21/61/54/553216154.db2.gz TXFSEBPFSDEFTO-XMMPIXPASA-N -1 0 518.566 6.016 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000009177141 553216436 /nfs/dbraw/zinc/21/64/36/553216436.db2.gz KJRFSMYJLJNUJM-QGZVFWFLSA-N -1 0 503.363 5.328 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000009186502 553217620 /nfs/dbraw/zinc/21/76/20/553217620.db2.gz DCMXOJHVOCGNTO-LJQANCHMSA-N -1 0 501.416 6.756 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009272154 553231537 /nfs/dbraw/zinc/23/15/37/553231537.db2.gz SSYHZGGVVDVVAS-HXUWFJFHSA-N -1 0 513.384 5.305 50 30 KKEARM CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000009295957 553235649 /nfs/dbraw/zinc/23/56/49/553235649.db2.gz JUCNOWPCQDQGNN-KQWNVCNZSA-N -1 0 501.560 5.507 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000009329431 553242420 /nfs/dbraw/zinc/24/24/20/553242420.db2.gz PRLIEDLPRWOWBR-GTJPDFRWSA-N -1 0 508.983 5.414 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009357947 553247300 /nfs/dbraw/zinc/24/73/00/553247300.db2.gz IWUWXJDJEHBDJR-ZAMGYDSWSA-N -1 0 504.514 5.681 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009358691 553247680 /nfs/dbraw/zinc/24/76/80/553247680.db2.gz HWWRTYPEFIDGNN-ZLOXQWCVSA-N -1 0 504.514 5.681 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009373729 553250485 /nfs/dbraw/zinc/25/04/85/553250485.db2.gz DBTLCABPVWVVCQ-LFPIHBKWSA-N -1 0 516.550 5.550 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000009374262 553250670 /nfs/dbraw/zinc/25/06/70/553250670.db2.gz CTBCQTAEALPDIT-NHFXJNLRSA-N -1 0 512.743 5.427 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009375233 553251207 /nfs/dbraw/zinc/25/12/07/553251207.db2.gz FMCAHRZBVSLDDY-QHCPKHFHSA-N -1 0 504.564 5.778 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009379988 553251582 /nfs/dbraw/zinc/25/15/82/553251582.db2.gz PGBGBHSTMPPZIH-ACSYHNTCSA-N -1 0 500.982 6.105 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000009379989 553251599 /nfs/dbraw/zinc/25/15/99/553251599.db2.gz PGBGBHSTMPPZIH-AFJIDDCJSA-N -1 0 500.982 6.105 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009424561 553258685 /nfs/dbraw/zinc/25/86/85/553258685.db2.gz YQXCDQGBYUELID-HXUWFJFHSA-N -1 0 502.832 6.050 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009436555 553264526 /nfs/dbraw/zinc/26/45/26/553264526.db2.gz HWWRTYPEFIDGNN-NPMABZOXSA-N -1 0 504.514 5.681 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000009461233 553267568 /nfs/dbraw/zinc/26/75/68/553267568.db2.gz IRAILGPBRGGKPX-LJQANCHMSA-N -1 0 512.609 5.261 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009600897 553286188 /nfs/dbraw/zinc/28/61/88/553286188.db2.gz YPRBGGORIUNKEU-NRFANRHFSA-N -1 0 504.951 5.519 50 30 KKEARM CCOC(=O)c1c(C)c(C(=O)OC)sc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000009934822 553318156 /nfs/dbraw/zinc/31/81/56/553318156.db2.gz RTYVXLPCRVVACU-IFRROFPPSA-N -1 0 505.184 5.001 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000012275830 553356107 /nfs/dbraw/zinc/35/61/07/553356107.db2.gz CIVCZACVNKGVDY-UQQQWYQISA-N -1 0 509.216 6.070 50 30 KKEARM CCCc1ccc(O)c(/N=C/c2cc(I)cc(I)c2[O-])c1 ZINC000012353493 553359168 /nfs/dbraw/zinc/35/91/68/553359168.db2.gz FTZRKSBCRGSGKI-DJKKODMXSA-N -1 0 507.109 5.010 50 30 KKEARM CCCCN1C(=O)C[C@H](C(=O)Nc2ccc(OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000012628423 553405262 /nfs/dbraw/zinc/40/52/62/553405262.db2.gz LOHXNRBXGGMCRL-DASRABTFSA-N -1 0 510.443 5.858 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000013571759 553474095 /nfs/dbraw/zinc/47/40/95/553474095.db2.gz VPXNQFSYLZRSIP-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM CCC(=C(O)NC(=Nc1nc(=O)cc(CSc2ccc(C)cc2)[n-]1)Nc1cccc2ccccc21)c1ccccc1 ZINC000017821078 553599946 /nfs/dbraw/zinc/59/99/46/553599946.db2.gz ILSLPBQIRDZGAG-MHZLTWQESA-N -1 0 561.711 7.124 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)c2c1 ZINC000070692304 553610900 /nfs/dbraw/zinc/61/09/00/553610900.db2.gz DWMYNKHBZJVIJZ-IZGLSFJQSA-N -1 0 604.744 5.757 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000070697751 553613383 /nfs/dbraw/zinc/61/33/83/553613383.db2.gz IABIDMZHVGWLMT-CVNRZENYSA-N -1 0 527.702 5.218 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccco6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000070698305 553614160 /nfs/dbraw/zinc/61/41/60/553614160.db2.gz OAZAZBRWAMEGCZ-ICOLJTPDSA-N -1 0 532.765 8.584 50 30 biogenic KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](Oc5ccccc5C(=O)[O-])CC[C@@]34C)[C@H]2C1 ZINC000070698740 553614776 /nfs/dbraw/zinc/61/47/76/553614776.db2.gz LNZWDWPFTHLSHQ-UZKIVWDMSA-N -1 0 604.828 8.286 50 30 biogenic KKEARM CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788124 553637750 /nfs/dbraw/zinc/63/77/50/553637750.db2.gz DQZCUQJUXKWZEE-UMSFTDKQSA-N -1 0 606.848 8.746 50 30 KKEARM Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=NC(=O)OCc3ccccc3)[N-]C(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)ccc12 ZINC000079204486 553669862 /nfs/dbraw/zinc/66/98/62/553669862.db2.gz MULTWLGLUOKRAO-XIFFEERXSA-N -1 0 733.778 6.528 50 30 biogenic KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(N(C)Cc3ccccc3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085896181 553690895 /nfs/dbraw/zinc/69/08/95/553690895.db2.gz ADWARAKZGQFXEL-OIVMLZNESA-N -1 0 814.929 5.090 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095669615 553706800 /nfs/dbraw/zinc/70/68/00/553706800.db2.gz CXGONMQFMIYUJR-UHFFFAOYSA-N -1 0 614.092 6.986 50 30 in-vitro KKEARM Cc1cc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C)c1Cl ZINC000095748064 553712670 /nfs/dbraw/zinc/71/26/70/553712670.db2.gz NSQSSOOJLJVHDT-UHFFFAOYSA-N -1 0 591.879 8.606 50 30 KKEARM C=C(C)COc1cccc([C@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)c1 ZINC000096221024 553730154 /nfs/dbraw/zinc/73/01/54/553730154.db2.gz FDFJCJXRVCZZGY-FQEVSTJZSA-N -1 0 502.519 5.227 50 30 biogenic KKEARM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000096287846 553738915 /nfs/dbraw/zinc/73/89/15/553738915.db2.gz GLHPGZLPYRNVAR-DWACAAAGSA-N -1 0 510.546 5.405 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc5ccccc54)c3=O)n2)cc1 ZINC000096610936 553757295 /nfs/dbraw/zinc/75/72/95/553757295.db2.gz XEKHMONCJIKZHM-QVAGMWBUSA-N -1 0 503.587 6.191 50 30 KKEARM COc1cccc2cc(-c3n[n-]c(=S)n3N=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)oc21 ZINC000097942995 553768206 /nfs/dbraw/zinc/76/82/06/553768206.db2.gz IVKGKSSBZFIQLF-CCVNUDIWSA-N -1 0 565.449 6.595 50 30 KKEARM C#CCNC1=C(/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)CC/C1=C\C=C1\N(CCCCS(=O)(=O)[O-])c2ccccc2C1(C)C ZINC000097943418 553768564 /nfs/dbraw/zinc/76/85/64/553768564.db2.gz YNKZQYLIDKIPBB-GBYGALLISA-O -1 0 732.989 6.834 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c(C)c1 ZINC000097946432 553779295 /nfs/dbraw/zinc/77/92/95/553779295.db2.gz ZBPXYQHUSWYABP-BWAHOGKJSA-N -1 0 547.702 6.259 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C ZINC000097947155 553784090 /nfs/dbraw/zinc/78/40/90/553784090.db2.gz FBKCYIOAPCIHJF-BWAHOGKJSA-N -1 0 547.702 6.259 50 30 KKEARM CCCCCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000097948439 553793855 /nfs/dbraw/zinc/79/38/55/553793855.db2.gz IDISFXJRBVUYNA-PBUKZNKTSA-N -1 0 570.661 7.160 50 30 KKEARM O=c1c(N=Nc2c(Cl)cccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000097949565 553802258 /nfs/dbraw/zinc/80/22/58/553802258.db2.gz OVCNCCNQHRQXIA-IADYIPOJSA-N -1 0 537.388 6.244 50 30 KKEARM CCCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000097950754 553805532 /nfs/dbraw/zinc/80/55/32/553805532.db2.gz SQJRGMNDJBAVCS-QHCPKHFHSA-N -1 0 567.023 7.575 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000097952290 553814705 /nfs/dbraw/zinc/81/47/05/553814705.db2.gz OXRWTTSEIGGIOL-VWLOTQADSA-N -1 0 540.597 5.600 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952518 553816255 /nfs/dbraw/zinc/81/62/55/553816255.db2.gz XKBOLMMSDLSLTR-HXUWFJFHSA-N -1 0 525.449 6.466 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000097953030 553818959 /nfs/dbraw/zinc/81/89/59/553818959.db2.gz UZUOAWMUNXDLLU-XMMPIXPASA-N -1 0 532.549 5.388 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000097955056 553827811 /nfs/dbraw/zinc/82/78/11/553827811.db2.gz OUFQQDVSJKWBMO-OZAJXLCCSA-N -1 0 549.004 5.770 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000097955048 553827909 /nfs/dbraw/zinc/82/79/09/553827909.db2.gz SYPFXUZTYMJRLX-SANMLTNESA-N -1 0 600.649 5.623 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955060 553827956 /nfs/dbraw/zinc/82/79/56/553827956.db2.gz COHFWDCMQFYUEK-ZLOXQWCVSA-N -1 0 537.424 6.709 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955066 553828029 /nfs/dbraw/zinc/82/80/29/553828029.db2.gz CVIVALUQPFKQKY-VWLOTQADSA-N -1 0 606.653 5.146 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000097955091 553828339 /nfs/dbraw/zinc/82/83/39/553828339.db2.gz KCWSQGLZNSUALN-JCQPUDPBSA-N -1 0 565.420 6.304 50 30 KKEARM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027527728 553830998 /nfs/dbraw/zinc/83/09/98/553830998.db2.gz OEWLKHQDFSOBIA-NRFANRHFSA-N -1 0 509.312 5.149 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000097955606 553832084 /nfs/dbraw/zinc/83/20/84/553832084.db2.gz CQVJWPJZRJXPRD-ZAMGYDSWSA-N -1 0 531.521 5.450 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955781 553833830 /nfs/dbraw/zinc/83/38/30/553833830.db2.gz PCOKUXMMQZWNFL-MHZLTWQESA-N -1 0 591.085 7.073 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc(C)ccc3C)C(=O)C(=O)N2c2nccs2)cc(Br)c1O ZINC000027662442 553836184 /nfs/dbraw/zinc/83/61/84/553836184.db2.gz IERPDQFZFPZHBQ-GOSISDBHSA-N -1 0 515.385 5.020 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097956855 553842592 /nfs/dbraw/zinc/84/25/92/553842592.db2.gz JZRDQESCVFJUJN-QHCPKHFHSA-N -1 0 566.632 5.135 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956871 553843039 /nfs/dbraw/zinc/84/30/39/553843039.db2.gz YCKFQEXNUSIDSH-OAQYLSRUSA-N -1 0 532.599 5.875 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1)c1ccc(Cl)cc1Cl ZINC000097958830 553858089 /nfs/dbraw/zinc/85/80/89/553858089.db2.gz FKIABRDPXZMPFJ-KIBLKLHPSA-N -1 0 543.042 7.227 50 30 KKEARM COc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(Br)cc1OCC(=O)[O-] ZINC000097960081 553868039 /nfs/dbraw/zinc/86/80/39/553868039.db2.gz DRDZKYUUZCTNEF-GIDUJCDVSA-N -1 0 532.199 5.120 50 30 KKEARM CC/N=C1\S/C(=C\c2cc(Br)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C(=O)N1CC ZINC000097960168 553868809 /nfs/dbraw/zinc/86/88/09/553868809.db2.gz MMPOZSVIBIXQKV-SNBOGDPUSA-N -1 0 533.444 5.437 50 30 KKEARM CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000097960322 553870262 /nfs/dbraw/zinc/87/02/62/553870262.db2.gz HHBPLOFZOFFWHP-JALILWDOSA-N -1 0 538.453 5.636 50 30 KKEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(OCC)c1OCc1ccc(Br)cc1 ZINC000097960510 553871921 /nfs/dbraw/zinc/87/19/21/553871921.db2.gz HQTTXZCPRHAQGZ-ZVHZXABRSA-N -1 0 640.328 7.425 50 30 KKEARM CC/N=C1\S/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N1CC ZINC000097960508 553871934 /nfs/dbraw/zinc/87/19/34/553871934.db2.gz MWSXDMKKAPDLEL-SNBOGDPUSA-N -1 0 533.444 5.437 50 30 KKEARM CCCCCCCCc1ccc(NC(=O)C2=C/C(=N\c3ccc(N(CC)CC)cc3)c3ccccc3C2=O)cc1S(=O)(=O)[O-] ZINC000097965536 553905575 /nfs/dbraw/zinc/90/55/75/553905575.db2.gz VINSPZNADHRIPE-WIKZRCHHSA-N -1 0 615.796 7.565 50 30 KKEARM CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000097966172 553907412 /nfs/dbraw/zinc/90/74/12/553907412.db2.gz BJEVIXDRCUQESE-HZXCKYEYSA-N -1 0 538.787 5.847 50 30 KKEARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1C#N ZINC000097966211 553907624 /nfs/dbraw/zinc/90/76/24/553907624.db2.gz MITDRGWNKLFDKZ-RGVLZGJSSA-N -1 0 593.377 5.566 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000097966848 553911103 /nfs/dbraw/zinc/91/11/03/553911103.db2.gz KWBNTNDZSRDPQX-SANMLTNESA-N -1 0 557.628 5.534 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000097966849 553911128 /nfs/dbraw/zinc/91/11/28/553911128.db2.gz KWBNTNDZSRDPQX-AREMUKBSSA-N -1 0 557.628 5.534 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097966912 553911972 /nfs/dbraw/zinc/91/19/72/553911972.db2.gz KKOGUFSYQHZRAV-NRFANRHFSA-N -1 0 555.837 6.504 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967264 553915700 /nfs/dbraw/zinc/91/57/00/553915700.db2.gz UCUBHESGQFBZIC-QLXKLKPCSA-N -1 0 620.152 6.989 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097967444 553918516 /nfs/dbraw/zinc/91/85/16/553918516.db2.gz GAAUQLCHNSTAKL-GKVSMKOHSA-N -1 0 599.690 5.723 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097967577 553920225 /nfs/dbraw/zinc/92/02/25/553920225.db2.gz DZIAGLHPKDBBAD-GDLZYMKVSA-N -1 0 670.740 6.490 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000097967648 553921448 /nfs/dbraw/zinc/92/14/48/553921448.db2.gz ZCDPOBMWERKMFB-HHHXNRCGSA-N -1 0 596.661 6.170 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967702 553921978 /nfs/dbraw/zinc/92/19/78/553921978.db2.gz AUDIOSAGIXFCJF-JCOAXYOVSA-N -1 0 706.286 8.558 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097967756 553922631 /nfs/dbraw/zinc/92/26/31/553922631.db2.gz PBIQVNCYQYZJOX-RUZDIDTESA-N -1 0 563.031 6.293 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967752 553922670 /nfs/dbraw/zinc/92/26/70/553922670.db2.gz SLHVHCHXIFFGPA-WTYVLRPYSA-N -1 0 611.745 6.810 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097967853 553923972 /nfs/dbraw/zinc/92/39/72/553923972.db2.gz NXCVWUZIHWXKHL-JGCGQSQUSA-N -1 0 693.803 7.362 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967912 553924868 /nfs/dbraw/zinc/92/48/68/553924868.db2.gz MUKSVNQJAXTHKC-QHCPKHFHSA-N -1 0 561.616 5.524 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097967894 553924908 /nfs/dbraw/zinc/92/49/08/553924908.db2.gz GWXTVVNYTLHPRU-AREMUKBSSA-N -1 0 668.580 7.256 50 30 KKEARM O=C1/C(=C/c2cc(I)c([O-])c([N+](=O)[O-])c2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033353471 553925387 /nfs/dbraw/zinc/92/53/87/553925387.db2.gz HADAIILMAKFWOB-ZOVWXIRQSA-N -1 0 549.390 5.842 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000097967976 553925826 /nfs/dbraw/zinc/92/58/26/553925826.db2.gz OTYBYXGVVCOPAN-GDLZYMKVSA-N -1 0 643.787 7.118 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968040 553926541 /nfs/dbraw/zinc/92/65/41/553926541.db2.gz AKYFCUBNBJYFRR-GDLZYMKVSA-N -1 0 657.770 6.656 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968018 553926614 /nfs/dbraw/zinc/92/66/14/553926614.db2.gz RGPSHWFMFVTCSE-MHZLTWQESA-N -1 0 650.178 7.217 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968095 553927482 /nfs/dbraw/zinc/92/74/82/553927482.db2.gz GEWMAJFXGGTLMA-MHZLTWQESA-N -1 0 628.131 7.191 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968085 553927524 /nfs/dbraw/zinc/92/75/24/553927524.db2.gz GXUYAEXIFBNZOC-DEOSSOPVSA-N -1 0 619.652 5.310 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968083 553927543 /nfs/dbraw/zinc/92/75/43/553927543.db2.gz UKHGXKHOUXSLLH-SANMLTNESA-N -1 0 601.706 6.173 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968131 553928013 /nfs/dbraw/zinc/92/80/13/553928013.db2.gz XYEGYXVKEGNKHV-NDEPHWFRSA-N -1 0 680.204 7.225 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000097968122 553928032 /nfs/dbraw/zinc/92/80/32/553928032.db2.gz MNIUILGNVNXFSA-MGBGTMOVSA-N -1 0 707.830 7.671 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097968208 553929064 /nfs/dbraw/zinc/92/90/64/553929064.db2.gz ZKVPKAHBVFMIKX-MGBGTMOVSA-N -1 0 709.846 8.115 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968216 553929112 /nfs/dbraw/zinc/92/91/12/553929112.db2.gz RPTUOCPKZWPEEX-MUUNZHRXSA-N -1 0 698.650 8.260 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097968260 553929580 /nfs/dbraw/zinc/92/95/80/553929580.db2.gz NAYYPMLARVEMPN-MUUNZHRXSA-N -1 0 680.204 7.225 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097968232 553929650 /nfs/dbraw/zinc/92/96/50/553929650.db2.gz IOCMNPPNCPEVOZ-XMMPIXPASA-N -1 0 591.642 5.532 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097968293 553929876 /nfs/dbraw/zinc/92/98/76/553929876.db2.gz KTIMJXXFBLDIER-AREMUKBSSA-N -1 0 634.135 6.603 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968281 553929931 /nfs/dbraw/zinc/92/99/31/553929931.db2.gz HSFXQUUUUVSLAU-MUUNZHRXSA-N -1 0 647.750 6.949 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097968287 553930134 /nfs/dbraw/zinc/93/01/34/553930134.db2.gz HEPIOCKASUSLLO-XMMPIXPASA-N -1 0 636.107 5.825 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968328 553930728 /nfs/dbraw/zinc/93/07/28/553930728.db2.gz NSGKPDXQAUPSFC-QHCPKHFHSA-N -1 0 594.070 5.744 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097968335 553930763 /nfs/dbraw/zinc/93/07/63/553930763.db2.gz SNGGSHYCESCDAU-SHACYNPGSA-N -1 0 644.989 7.897 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097968332 553930836 /nfs/dbraw/zinc/93/08/36/553930836.db2.gz FPVZOGFJPSNJQB-LJAQVGFWSA-N -1 0 659.786 6.880 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968374 553931366 /nfs/dbraw/zinc/93/13/66/553931366.db2.gz WJOFJUSIWLHHAV-ADSBAMQRSA-N -1 0 726.704 8.821 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000033354873 553931939 /nfs/dbraw/zinc/93/19/39/553931939.db2.gz OFPSPPPCWWWDFA-JOCHJYFZSA-N -1 0 540.797 5.980 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968393 553932041 /nfs/dbraw/zinc/93/20/41/553932041.db2.gz ZFDHVNXXVPOGMI-KWMCUTETSA-N -1 0 609.704 7.229 50 30 KKEARM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033355424 553934780 /nfs/dbraw/zinc/93/47/80/553934780.db2.gz YAMUEKACRHGQCZ-YERBRMDYSA-N -1 0 530.241 6.726 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000033355501 553934952 /nfs/dbraw/zinc/93/49/52/553934952.db2.gz ALMHBFVIOBNKKR-QFIPXVFZSA-N -1 0 600.005 5.460 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000097969061 553936200 /nfs/dbraw/zinc/93/62/00/553936200.db2.gz ICXSCHWZKFDWNT-QFIPXVFZSA-N -1 0 551.418 5.859 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969189 553937972 /nfs/dbraw/zinc/93/79/72/553937972.db2.gz WFYJULAQFDODCZ-HAWMADMCSA-N -1 0 577.058 6.463 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097969299 553939206 /nfs/dbraw/zinc/93/92/06/553939206.db2.gz ZBWYUCRNHVOJPS-SSOJOUAXSA-N -1 0 573.671 6.384 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969284 553939295 /nfs/dbraw/zinc/93/92/95/553939295.db2.gz ZSFREEOKHPESSI-XRHLQHRESA-N -1 0 632.163 7.155 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097969303 553939355 /nfs/dbraw/zinc/93/93/55/553939355.db2.gz IYRWEOCMHHKBJK-KKIUXKEOSA-N -1 0 639.129 7.644 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969295 553939472 /nfs/dbraw/zinc/93/94/72/553939472.db2.gz WUUBQBIYFDFACY-PIIWDFAUSA-N -1 0 613.761 7.116 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969362 553940163 /nfs/dbraw/zinc/94/01/63/553940163.db2.gz VUOXJNAFLMSOLU-JCQPUDPBSA-N -1 0 581.875 6.819 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097969532 553941893 /nfs/dbraw/zinc/94/18/93/553941893.db2.gz GRHXUZGHDYYOQO-JGCGQSQUSA-N -1 0 660.748 8.091 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969796 553944903 /nfs/dbraw/zinc/94/49/03/553944903.db2.gz YHCBRCGWUKOMAX-WRONEBCDSA-N -1 0 645.778 7.645 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969780 553945108 /nfs/dbraw/zinc/94/51/08/553945108.db2.gz MURYTZLSDOZNHE-NHRFMIRVSA-N -1 0 677.848 8.515 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097969832 553945569 /nfs/dbraw/zinc/94/55/69/553945569.db2.gz DXDSHLHFSQDNSQ-CLYVBNDRSA-N -1 0 617.724 6.865 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969861 553945892 /nfs/dbraw/zinc/94/58/92/553945892.db2.gz HMFOROSSGMGAEQ-GDJIYFAZSA-N -1 0 629.760 6.734 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097969839 553945903 /nfs/dbraw/zinc/94/59/03/553945903.db2.gz KXGYQRZJBARZSK-JMQGSBJISA-N -1 0 682.651 8.422 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097969897 553946594 /nfs/dbraw/zinc/94/65/94/553946594.db2.gz PXQLJGLLPHLVNG-UULLZXFKSA-N -1 0 605.112 7.244 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969958 553947251 /nfs/dbraw/zinc/94/72/51/553947251.db2.gz MVASUSTXHAGVKS-WRONEBCDSA-N -1 0 643.787 7.124 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970060 553949026 /nfs/dbraw/zinc/94/90/26/553949026.db2.gz NNCXIDOEKGINQL-WXTAPIANSA-N -1 0 613.717 6.032 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970163 553950495 /nfs/dbraw/zinc/95/04/95/553950495.db2.gz VKGAEKLAXDFNPT-UKPGIYTDSA-N -1 0 689.831 7.899 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000097970298 553952009 /nfs/dbraw/zinc/95/20/09/553952009.db2.gz CYHPWIIOKUJGLE-NHRFMIRVSA-N -1 0 691.831 7.914 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970301 553952122 /nfs/dbraw/zinc/95/21/22/553952122.db2.gz SLPZXFOCVZWNEF-ACSYHNTCSA-N -1 0 645.778 7.501 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097970279 553952156 /nfs/dbraw/zinc/95/21/56/553952156.db2.gz YLDPHRORZTYZJW-PUAOIOHZSA-N -1 0 606.125 6.599 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000097970303 553952575 /nfs/dbraw/zinc/95/25/75/553952575.db2.gz OHNPKJGVLJIHBL-CPJLOUKISA-N -1 0 617.680 5.862 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000097970374 553953375 /nfs/dbraw/zinc/95/33/75/553953375.db2.gz CKDKCWQVUZDYDI-AREMUKBSSA-N -1 0 604.637 5.275 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097970488 553954877 /nfs/dbraw/zinc/95/48/77/553954877.db2.gz MCUHKIKQXSIJSQ-ULKXQASOSA-N -1 0 693.847 8.277 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1OCc1ccccc1 ZINC000097970507 553955048 /nfs/dbraw/zinc/95/50/48/553955048.db2.gz KMFMJBVZHCWPCZ-NDEPHWFRSA-N -1 0 642.686 5.770 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970632 553956668 /nfs/dbraw/zinc/95/66/68/553956668.db2.gz VXGNNTJHKOGTDX-YRVHBCJASA-N -1 0 619.139 7.634 50 30 KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000097970639 553956776 /nfs/dbraw/zinc/95/67/76/553956776.db2.gz IEZZKXSJGZQZJT-UHFFFAOYSA-N -1 0 561.708 6.872 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970707 553957892 /nfs/dbraw/zinc/95/78/92/553957892.db2.gz WZILWEGIYCJNJB-DEOSSOPVSA-N -1 0 578.643 5.217 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000097970747 553958326 /nfs/dbraw/zinc/95/83/26/553958326.db2.gz PWYZTXOLDASBGL-WKRVVKTRSA-N -1 0 671.841 7.760 50 30 KKEARM CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)[N-]C2=S)cc1 ZINC000097970982 553960222 /nfs/dbraw/zinc/96/02/22/553960222.db2.gz PRTWCIJTMLJKBF-JLPGSUDCSA-N -1 0 542.730 6.920 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970989 553960280 /nfs/dbraw/zinc/96/02/80/553960280.db2.gz VRVOQYBJOKTFLX-GDLZYMKVSA-N -1 0 640.714 6.569 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000097970990 553960318 /nfs/dbraw/zinc/96/03/18/553960318.db2.gz VRVOQYBJOKTFLX-LJAQVGFWSA-N -1 0 640.714 6.569 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000097995604 554036423 /nfs/dbraw/zinc/03/64/23/554036423.db2.gz DSEHSEDRLKLKIT-UHFFFAOYSA-N -1 0 728.580 6.947 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000097997707 554040241 /nfs/dbraw/zinc/04/02/41/554040241.db2.gz UADKSRGKGKIKGM-JLPGSUDCSA-N -1 0 554.213 5.978 50 30 KKEARM Cc1ccc(Nc2nc(N=NCc3cc(Br)c([O-])c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000098002647 554053868 /nfs/dbraw/zinc/05/38/68/554053868.db2.gz XSACYUPQAXRMID-CAQPMQTCSA-N -1 0 651.407 7.059 50 30 KKEARM O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)ccc1[O-] ZINC000035959135 554108056 /nfs/dbraw/zinc/10/80/56/554108056.db2.gz SYMTXHXRRXOUDH-FOKLQQMPSA-N -1 0 500.399 6.716 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000098046308 554137658 /nfs/dbraw/zinc/13/76/58/554137658.db2.gz KNUUPTHSUMEBOE-XMMPIXPASA-N -1 0 578.643 5.302 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000098046455 554139279 /nfs/dbraw/zinc/13/92/79/554139279.db2.gz NISNDFHUVRXLRA-VWLOTQADSA-N -1 0 636.593 7.555 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046454 554139381 /nfs/dbraw/zinc/13/93/81/554139381.db2.gz NISNDFHUVRXLRA-RUZDIDTESA-N -1 0 636.593 7.555 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046492 554139757 /nfs/dbraw/zinc/13/97/57/554139757.db2.gz UXTFAYKPPMMVNU-SSEXGKCCSA-N -1 0 669.756 7.349 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046488 554139766 /nfs/dbraw/zinc/13/97/66/554139766.db2.gz OUQOFPSDJZHCRF-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000098046539 554140359 /nfs/dbraw/zinc/14/03/59/554140359.db2.gz DLPCQUBJVZMJOC-HHHXNRCGSA-N -1 0 615.708 7.678 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4cccc(OC)c4o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098046641 554142013 /nfs/dbraw/zinc/14/20/13/554142013.db2.gz AVNKWCGFJKKTJX-LJQANCHMSA-N -1 0 538.965 5.429 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)cc2)c1 ZINC000098046686 554142354 /nfs/dbraw/zinc/14/23/54/554142354.db2.gz WWNGGSCPPQLHRM-DEOSSOPVSA-N -1 0 561.457 6.576 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047231 554147939 /nfs/dbraw/zinc/14/79/39/554147939.db2.gz FVAKIRMXJJQDCQ-GDLZYMKVSA-N -1 0 625.747 8.003 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047235 554148028 /nfs/dbraw/zinc/14/80/28/554148028.db2.gz JKHVVQXWTISFGP-SSEXGKCCSA-N -1 0 639.774 8.393 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000098047241 554148303 /nfs/dbraw/zinc/14/83/03/554148303.db2.gz UMQRQJREORCZEH-AREMUKBSSA-N -1 0 612.664 7.122 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047298 554148899 /nfs/dbraw/zinc/14/88/99/554148899.db2.gz BYOCFQJZYXEORY-SANMLTNESA-N -1 0 613.648 6.207 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047306 554149197 /nfs/dbraw/zinc/14/91/97/554149197.db2.gz PYXXIYCIDUVMRH-MHZLTWQESA-N -1 0 617.749 6.809 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047314 554149209 /nfs/dbraw/zinc/14/92/09/554149209.db2.gz VJHPIFPIJNCIFI-NDEPHWFRSA-N -1 0 643.693 7.692 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccco2)cc1OC ZINC000098047321 554149258 /nfs/dbraw/zinc/14/92/58/554149258.db2.gz LTVUFXWDTWCBIF-RUZDIDTESA-N -1 0 585.663 6.377 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1F ZINC000098047316 554149332 /nfs/dbraw/zinc/14/93/32/554149332.db2.gz OPSLOZXNVGECRK-SANMLTNESA-N -1 0 662.562 7.677 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047386 554150013 /nfs/dbraw/zinc/15/00/13/554150013.db2.gz JXPCWJMFPKAQNJ-HSZRJFAPSA-N -1 0 567.664 5.649 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000098047372 554150142 /nfs/dbraw/zinc/15/01/42/554150142.db2.gz YMIDIKFVPBSSHO-AREMUKBSSA-N -1 0 587.723 6.801 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047414 554150420 /nfs/dbraw/zinc/15/04/20/554150420.db2.gz XMNDPRDONUHHRN-JGCGQSQUSA-N -1 0 698.266 9.025 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047410 554150454 /nfs/dbraw/zinc/15/04/54/554150454.db2.gz VKVLTUICXKWTJV-SSEXGKCCSA-N -1 0 643.831 8.361 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047432 554150951 /nfs/dbraw/zinc/15/09/51/554150951.db2.gz DZGRNIGFWOHFPH-MUUNZHRXSA-N -1 0 650.222 8.234 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047420 554150978 /nfs/dbraw/zinc/15/09/78/554150978.db2.gz HHLJAFVNDMXFRF-MUUNZHRXSA-N -1 0 633.767 7.720 50 30 KKEARM CCCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OC ZINC000098047455 554151290 /nfs/dbraw/zinc/15/12/90/554151290.db2.gz FBZIBTFUBNXPCM-XIFFEERXSA-N -1 0 701.911 9.068 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047485 554151873 /nfs/dbraw/zinc/15/18/73/554151873.db2.gz PBUITCZRCMXHQR-MUUNZHRXSA-N -1 0 650.222 8.234 50 30 KKEARM CCCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OC ZINC000098047481 554151896 /nfs/dbraw/zinc/15/18/96/554151896.db2.gz WMYFXNXFCQUDBJ-MGBGTMOVSA-N -1 0 736.356 9.803 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000098047534 554152111 /nfs/dbraw/zinc/15/21/11/554152111.db2.gz ORLQDWFIOWNCGN-XMMPIXPASA-N -1 0 630.550 7.766 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047526 554152285 /nfs/dbraw/zinc/15/22/85/554152285.db2.gz OFCCOXSNGPHSMG-HHHXNRCGSA-N -1 0 622.740 6.633 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047539 554152322 /nfs/dbraw/zinc/15/23/22/554152322.db2.gz ZAAKNRNBOLDEDW-NDEPHWFRSA-N -1 0 644.149 8.507 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000098047544 554152586 /nfs/dbraw/zinc/15/25/86/554152586.db2.gz AQLDCGUHBRATAE-PMERELPUSA-N -1 0 662.805 7.724 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047561 554152695 /nfs/dbraw/zinc/15/26/95/554152695.db2.gz DJRTVLGHENFYLA-XMMPIXPASA-N -1 0 593.658 6.134 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047547 554152702 /nfs/dbraw/zinc/15/27/02/554152702.db2.gz OBFBNFKSZXOQDR-WJOKGBTCSA-N -1 0 673.857 8.370 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccccc2F)cc1 ZINC000098047598 554152959 /nfs/dbraw/zinc/15/29/59/554152959.db2.gz LUIFKGVYLKJAEU-SANMLTNESA-N -1 0 589.714 7.240 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047641 554154015 /nfs/dbraw/zinc/15/40/15/554154015.db2.gz OBVZEYXEULFPBA-HHHXNRCGSA-N -1 0 652.194 7.463 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000098047719 554154748 /nfs/dbraw/zinc/15/47/48/554154748.db2.gz HCPMZPNPQLYOHC-MUUNZHRXSA-N -1 0 626.735 6.980 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F ZINC000098047711 554154783 /nfs/dbraw/zinc/15/47/83/554154783.db2.gz AYTRPYQBOATZOY-XMMPIXPASA-N -1 0 589.695 6.976 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047722 554154902 /nfs/dbraw/zinc/15/49/02/554154902.db2.gz CTLFIHCIURAWPV-HKBQPEDESA-N -1 0 669.800 8.483 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000098047708 554155059 /nfs/dbraw/zinc/15/50/59/554155059.db2.gz PPTBYCPLYOCZSN-SANMLTNESA-N -1 0 646.563 7.977 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047747 554155313 /nfs/dbraw/zinc/15/53/13/554155313.db2.gz XXRCWPLVGDLVSB-HHHXNRCGSA-N -1 0 581.694 7.522 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047760 554155752 /nfs/dbraw/zinc/15/57/52/554155752.db2.gz ZFIYFIDOAUZUTP-YTTGMZPUSA-N -1 0 697.835 7.971 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000098047771 554155792 /nfs/dbraw/zinc/15/57/92/554155792.db2.gz IZININIDGFGRJG-HHHXNRCGSA-N -1 0 613.692 6.923 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098047764 554155850 /nfs/dbraw/zinc/15/58/50/554155850.db2.gz XHZOAYXLHNQCDF-MHZLTWQESA-N -1 0 640.699 6.692 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(O)c2)cc1OC ZINC000098047780 554155861 /nfs/dbraw/zinc/15/58/61/554155861.db2.gz JMFNYPQAGNPFCV-MHZLTWQESA-N -1 0 611.701 6.489 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098047796 554156129 /nfs/dbraw/zinc/15/61/29/554156129.db2.gz LJWZGIJDZVDQMR-MHZLTWQESA-N -1 0 664.592 8.091 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000098047801 554156165 /nfs/dbraw/zinc/15/61/65/554156165.db2.gz ZYMSPJCCUCLJJE-MUUNZHRXSA-N -1 0 609.729 7.092 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047799 554156209 /nfs/dbraw/zinc/15/62/09/554156209.db2.gz IZHKRGDXJZWTMQ-SSEXGKCCSA-N -1 0 669.781 7.191 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047832 554156666 /nfs/dbraw/zinc/15/66/66/554156666.db2.gz FPSINOFPDVOUPT-MHZLTWQESA-N -1 0 625.703 7.001 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047831 554156772 /nfs/dbraw/zinc/15/67/72/554156772.db2.gz FPSINOFPDVOUPT-HHHXNRCGSA-N -1 0 625.703 7.001 50 30 KKEARM CCCCCCCCCCCCCCCCCC[N-]C(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000098048297 554160979 /nfs/dbraw/zinc/16/09/79/554160979.db2.gz XXUGORHIFXJEKB-HXUWFJFHSA-N -1 0 581.551 9.399 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098048934 554162303 /nfs/dbraw/zinc/16/23/03/554162303.db2.gz XQUIVIWJFLGRJN-GDLZYMKVSA-N -1 0 676.845 8.597 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000098050341 554174107 /nfs/dbraw/zinc/17/41/07/554174107.db2.gz DHSSBTFWRICZOS-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM CC(C)CC(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100012137 554181052 /nfs/dbraw/zinc/18/10/52/554181052.db2.gz PTMIGKZUTGSHED-VWLOTQADSA-N -1 0 546.664 5.216 50 30 KKEARM Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000100053084 554195118 /nfs/dbraw/zinc/19/51/18/554195118.db2.gz MRCZNDSNFGBBLN-LUOAPIJWSA-N -1 0 605.377 7.625 50 30 KKEARM CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100129987 554225803 /nfs/dbraw/zinc/22/58/03/554225803.db2.gz ZVZSFLKQRWJLFX-KAZXFFEWSA-N -1 0 566.035 5.375 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000100149391 554231329 /nfs/dbraw/zinc/23/13/29/554231329.db2.gz OWWTWKVWUWHRAE-ULJHMMPZSA-N -1 0 564.219 5.434 50 30 KKEARM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000100235135 554258088 /nfs/dbraw/zinc/25/80/88/554258088.db2.gz GZFZKLARYDVERK-DHRITJCHSA-N -1 0 561.332 5.321 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100340482 554324902 /nfs/dbraw/zinc/32/49/02/554324902.db2.gz PVKFRVADIZVEJR-MRJHHRETSA-N -1 0 532.312 6.103 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000100341474 554325998 /nfs/dbraw/zinc/32/59/98/554325998.db2.gz URJIVXGBOAJMDC-QFMPWRQOSA-N -1 0 530.009 5.894 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000053290098 554331204 /nfs/dbraw/zinc/33/12/04/554331204.db2.gz OYGFILRNYKXEHY-LJQANCHMSA-N -1 0 547.416 5.645 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291517 554331801 /nfs/dbraw/zinc/33/18/01/554331801.db2.gz WGQSFFHCSZXSCR-QFIPXVFZSA-N -1 0 553.409 6.380 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053291623 554331965 /nfs/dbraw/zinc/33/19/65/554331965.db2.gz KZGBXDNKIYTPCM-IBGZPJMESA-N -1 0 557.422 5.101 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000053306728 554334405 /nfs/dbraw/zinc/33/44/05/554334405.db2.gz IIRDJWGAAQSTPX-IBGZPJMESA-N -1 0 593.069 6.152 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1cccs1 ZINC000053307068 554334782 /nfs/dbraw/zinc/33/47/82/554334782.db2.gz WDYONMREQQWWIS-SFHVURJKSA-N -1 0 515.385 6.042 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053307512 554335206 /nfs/dbraw/zinc/33/52/06/554335206.db2.gz YNQZPWXAVUXXRV-IBGZPJMESA-N -1 0 547.416 5.645 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053307869 554335373 /nfs/dbraw/zinc/33/53/73/554335373.db2.gz KCCBHIWAMRUWIT-QFIPXVFZSA-N -1 0 525.786 5.844 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319124 554335968 /nfs/dbraw/zinc/33/59/68/554335968.db2.gz FENKUHQYKAQWMP-JOCHJYFZSA-N -1 0 537.410 6.598 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053319155 554336383 /nfs/dbraw/zinc/33/63/83/554336383.db2.gz PZKZYYUYCQBUJR-QFIPXVFZSA-N -1 0 553.865 7.112 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319218 554336675 /nfs/dbraw/zinc/33/66/75/554336675.db2.gz HFNLPKIVWLUQSK-QFIPXVFZSA-N -1 0 535.419 6.240 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053319252 554336910 /nfs/dbraw/zinc/33/69/10/554336910.db2.gz AITHIMCXEJSIMN-DEOSSOPVSA-N -1 0 551.020 6.149 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053319498 554338312 /nfs/dbraw/zinc/33/83/12/554338312.db2.gz WYMGBXFWNASJBH-NRFANRHFSA-N -1 0 584.289 6.913 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000053319496 554338392 /nfs/dbraw/zinc/33/83/92/554338392.db2.gz DRYJSNDYYCJCJD-LJQANCHMSA-N -1 0 514.719 5.189 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053332109 554339061 /nfs/dbraw/zinc/33/90/61/554339061.db2.gz DUMLNVTXEMCNIV-FQEVSTJZSA-N -1 0 526.567 5.306 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053333619 554339940 /nfs/dbraw/zinc/33/99/40/554339940.db2.gz SDOZOKKFGUHRRZ-QFIPXVFZSA-N -1 0 539.396 6.157 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000053338747 554342700 /nfs/dbraw/zinc/34/27/00/554342700.db2.gz QUUDKXHWTWMLFU-ZSEKCTLFSA-N -1 0 539.009 5.388 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000053338870 554343174 /nfs/dbraw/zinc/34/31/74/554343174.db2.gz VMQLPWCVMRDZBD-SPSFWMDKSA-N -1 0 555.414 6.849 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000053339268 554343214 /nfs/dbraw/zinc/34/32/14/554343214.db2.gz BLHXTJOJBYSLCF-DLUDVSRJSA-N -1 0 576.602 5.568 50 30 KKEARM COc1cc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000058993339 554371645 /nfs/dbraw/zinc/37/16/45/554371645.db2.gz RMTWIOHNZPXRDG-ZEZBVESGSA-N -1 0 553.434 5.969 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000100460522 554397754 /nfs/dbraw/zinc/39/77/54/554397754.db2.gz MCUSTQGUCWEUQK-PTXOJBNSSA-N -1 0 567.379 6.008 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000100674873 554443195 /nfs/dbraw/zinc/44/31/95/554443195.db2.gz LBRVAJWPIMGXTK-DEOSSOPVSA-N -1 0 566.651 6.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000100674895 554443282 /nfs/dbraw/zinc/44/32/82/554443282.db2.gz UXDPNWRDWCNIHB-DEOSSOPVSA-N -1 0 627.557 6.989 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000100674891 554443292 /nfs/dbraw/zinc/44/32/92/554443292.db2.gz UXDPNWRDWCNIHB-XMMPIXPASA-N -1 0 627.557 6.989 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100674850 554443327 /nfs/dbraw/zinc/44/33/27/554443327.db2.gz WKQREQVNUGDQQH-DEOSSOPVSA-N -1 0 583.106 6.880 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000100675286 554443358 /nfs/dbraw/zinc/44/33/58/554443358.db2.gz ARMMIXVDHHHZHX-XMMPIXPASA-N -1 0 583.106 6.880 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100675453 554443590 /nfs/dbraw/zinc/44/35/90/554443590.db2.gz GFZWVJCYVXVZES-DEOSSOPVSA-N -1 0 562.644 5.765 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000100677192 554444195 /nfs/dbraw/zinc/44/41/95/554444195.db2.gz IKVFFZMNHYIOOA-SFHVURJKSA-N -1 0 535.380 5.775 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100677697 554444644 /nfs/dbraw/zinc/44/46/44/554444644.db2.gz FEYBIMZYGRDZPL-XMMPIXPASA-N -1 0 558.587 6.261 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100677700 554444666 /nfs/dbraw/zinc/44/46/66/554444666.db2.gz LAPDXXYUJNBTIY-QFIPXVFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100677299 554444673 /nfs/dbraw/zinc/44/46/73/554444673.db2.gz WHHCKOUJDOSJIP-DEOSSOPVSA-N -1 0 580.659 5.607 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100679905 554445725 /nfs/dbraw/zinc/44/57/25/554445725.db2.gz XOUGQNJUQVUHPA-NDEPHWFRSA-N -1 0 636.767 7.024 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100679881 554445728 /nfs/dbraw/zinc/44/57/28/554445728.db2.gz JUSQYVHEPVSVML-RUZDIDTESA-N -1 0 576.671 6.155 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCCC)cc2)nc1C ZINC000100680358 554446428 /nfs/dbraw/zinc/44/64/28/554446428.db2.gz QVPOHYXASYVVJH-AREMUKBSSA-N -1 0 590.698 6.545 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000100680370 554446514 /nfs/dbraw/zinc/44/65/14/554446514.db2.gz BKOVKFNRELTAIT-DEOSSOPVSA-N -1 0 562.644 5.765 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000100680349 554446521 /nfs/dbraw/zinc/44/65/21/554446521.db2.gz HTBDVYSNJINQDJ-HSZRJFAPSA-N -1 0 550.608 5.895 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100680685 554446849 /nfs/dbraw/zinc/44/68/49/554446849.db2.gz ZRYLZMBCDVNTFW-JOCHJYFZSA-N -1 0 536.606 5.209 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100681025 554447253 /nfs/dbraw/zinc/44/72/53/554447253.db2.gz MVHIQVMWWQXIGO-DEOSSOPVSA-N -1 0 564.660 5.989 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000100681454 554447871 /nfs/dbraw/zinc/44/78/71/554447871.db2.gz AAEYXLFITXASEB-QFIPXVFZSA-N -1 0 554.596 5.266 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000100681484 554447894 /nfs/dbraw/zinc/44/78/94/554447894.db2.gz NPLSQTCNIKPYGC-JOCHJYFZSA-N -1 0 552.580 5.042 50 30 KKEARM CCCCCCCCCC[C@H](Oc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000100815542 554476168 /nfs/dbraw/zinc/47/61/68/554476168.db2.gz KVZPIOXADNZHBJ-PMERELPUSA-N -1 0 538.706 7.461 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000100934025 554528637 /nfs/dbraw/zinc/52/86/37/554528637.db2.gz YHUYJPMALAJVIU-AREMUKBSSA-N -1 0 563.498 5.983 50 30 KKEARM CCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575258 554540274 /nfs/dbraw/zinc/54/02/74/554540274.db2.gz UIDMHGBETJKWEZ-UHFFFAOYSA-N -1 0 519.195 5.912 50 30 KKEARM CC(C)(C)c1csc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccc([N+](=O)[O-])cc3Br)c2=O)n1 ZINC000101056545 554569787 /nfs/dbraw/zinc/56/97/87/554569787.db2.gz MQBUKXLMQLBSRT-LGUFXXKBSA-N -1 0 572.401 5.239 50 30 KKEARM CC(C)(C)c1cnc(-n2[n-]c(-c3ccc([N+](=O)[O-])cc3)c(N=Nc3ccc([N+](=O)[O-])cc3Br)c2=O)s1 ZINC000101056544 554569791 /nfs/dbraw/zinc/56/97/91/554569791.db2.gz BYFSRFJWCUHBSO-LGUFXXKBSA-N -1 0 572.401 5.239 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000101062495 554570642 /nfs/dbraw/zinc/57/06/42/554570642.db2.gz KEBDVNFCQQRJRR-NHFXJNLRSA-N -1 0 526.343 5.269 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101069839 554574419 /nfs/dbraw/zinc/57/44/19/554574419.db2.gz UPPYWGYVLUBTMO-MRJHHRETSA-N -1 0 523.383 6.133 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1cccs1 ZINC000101072877 554576581 /nfs/dbraw/zinc/57/65/81/554576581.db2.gz YXCQOMNBWWWNFL-SELCWUDQSA-N -1 0 515.385 5.886 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100210 554587180 /nfs/dbraw/zinc/58/71/80/554587180.db2.gz VJEOYVDWWSUJNM-HFEWCJDKSA-N -1 0 537.410 6.441 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000101101539 554638746 /nfs/dbraw/zinc/63/87/46/554638746.db2.gz VNUFXSJKPBOSAL-HOGKFDNTSA-N -1 0 583.847 6.110 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101101654 554638807 /nfs/dbraw/zinc/63/88/07/554638807.db2.gz IJVYASUBARHRRY-QOJBNDRUSA-N -1 0 509.381 5.895 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1Cl)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C(=O)[O-])cc1 ZINC000101185063 554668905 /nfs/dbraw/zinc/66/89/05/554668905.db2.gz CCIOOFFCFLUSAE-UHFFFAOYSA-N -1 0 538.471 7.582 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccnc2)nc1C ZINC000101278527 554705040 /nfs/dbraw/zinc/70/50/40/554705040.db2.gz BKDWXQNIUHFJOO-CJJGVWJISA-N -1 0 581.650 5.703 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101293995 554710689 /nfs/dbraw/zinc/71/06/89/554710689.db2.gz YEWPOOWRUBXHDE-SBXHHDGASA-N -1 0 516.550 5.635 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@H](c4ccc(Cl)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000101417663 554766479 /nfs/dbraw/zinc/76/64/79/554766479.db2.gz NYZLFEYXFUWBDQ-CLJLJLNGSA-N -1 0 522.033 6.586 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)S/C2=N/c2ccccc2)cc1 ZINC000101645148 554815145 /nfs/dbraw/zinc/81/51/45/554815145.db2.gz IIUVXFLRRUATPU-ZZMJZEAISA-N -1 0 604.438 7.120 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000101974834 554862893 /nfs/dbraw/zinc/86/28/93/554862893.db2.gz QZYYIJGAOVWKKR-RUZDIDTESA-N -1 0 527.602 5.525 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1OC ZINC000102052465 554871660 /nfs/dbraw/zinc/87/16/60/554871660.db2.gz NNARSPIERZYGBO-WGDIFIGCSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OCc1ccccc1 ZINC000102052544 554871968 /nfs/dbraw/zinc/87/19/68/554871968.db2.gz YCMZMMLDUXLBBH-CAQRMWTPSA-N -1 0 617.727 7.486 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052895 554872133 /nfs/dbraw/zinc/87/21/33/554872133.db2.gz YCQOWELUPWCKTH-LBEKAKSKSA-N -1 0 545.588 5.143 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102053253 554872137 /nfs/dbraw/zinc/87/21/37/554872137.db2.gz FSQSSNCTLZBQKY-JPZYQRIQSA-N -1 0 573.674 7.691 50 30 KKEARM COc1cccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC ZINC000102053449 554872450 /nfs/dbraw/zinc/87/24/50/554872450.db2.gz YOLZAQSNKCHMEN-QUGAMOGWSA-N -1 0 541.629 5.916 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2cc(=O)n(-c3ccccc3)[n-]2)C1=O ZINC000102055662 554872819 /nfs/dbraw/zinc/87/28/19/554872819.db2.gz FSGHLHYYNXAXFF-AREMUKBSSA-N -1 0 509.735 7.764 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000102076831 554875182 /nfs/dbraw/zinc/87/51/82/554875182.db2.gz XVNNAILFQOPKEZ-ONQGDUAMSA-N -1 0 591.085 6.772 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000102175802 554892310 /nfs/dbraw/zinc/89/23/10/554892310.db2.gz JYZJLSJPXURMPI-VWLOTQADSA-N -1 0 543.601 5.231 50 30 KKEARM CCCCCCCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c([O-])c2ccccc21 ZINC000102261687 554905199 /nfs/dbraw/zinc/90/51/99/554905199.db2.gz WCTDLEFQALYDBJ-UHFFFAOYSA-N -1 0 519.711 6.854 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(-c2ccccc2C)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000102313179 554909957 /nfs/dbraw/zinc/90/99/57/554909957.db2.gz QWTSHISZWWXTEW-NMSHJFGGSA-N -1 0 631.905 7.617 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486295 554938285 /nfs/dbraw/zinc/93/82/85/554938285.db2.gz CJVFMMABZHQILG-SBXHHDGASA-N -1 0 540.597 6.047 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102487422 554938489 /nfs/dbraw/zinc/93/84/89/554938489.db2.gz KTNCHXMKEAOSFG-MOBKVPTQSA-N -1 0 554.983 5.741 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102486588 554938543 /nfs/dbraw/zinc/93/85/43/554938543.db2.gz YORPSBYUTQNHKG-SBXHHDGASA-N -1 0 558.587 6.186 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102491280 554939297 /nfs/dbraw/zinc/93/92/97/554939297.db2.gz OMSQQAVYGHMMCZ-AYWGPLOBSA-N -1 0 534.565 5.478 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102491626 554939371 /nfs/dbraw/zinc/93/93/71/554939371.db2.gz FRDDIIDBWNCYQT-JBCNATCCSA-N -1 0 511.386 6.238 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102493873 554940036 /nfs/dbraw/zinc/94/00/36/554940036.db2.gz IYRGMKOPHHUHKH-MOBKVPTQSA-N -1 0 530.558 5.640 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102502527 554943764 /nfs/dbraw/zinc/94/37/64/554943764.db2.gz ZQLSIRLKVQIOSF-JBCNATCCSA-N -1 0 539.382 5.833 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102503498 554944017 /nfs/dbraw/zinc/94/40/17/554944017.db2.gz FCZNKQVLHGCHPH-HOGKFDNTSA-N -1 0 553.409 6.223 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000102517481 554948755 /nfs/dbraw/zinc/94/87/55/554948755.db2.gz JTCZLOPLZBGZBX-TXTDGAROSA-N -1 0 628.703 6.159 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102519269 554949383 /nfs/dbraw/zinc/94/93/83/554949383.db2.gz QVKXDOMMTNDNSU-ZHHPLPSFSA-N -1 0 565.445 6.092 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102527391 554952559 /nfs/dbraw/zinc/95/25/59/554952559.db2.gz MZPLAZHIBFBRPL-NXLSWJSLSA-N -1 0 518.566 5.859 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000102544475 554958403 /nfs/dbraw/zinc/95/84/03/554958403.db2.gz GEKZIOYNCCYTPI-VEZPTTSMSA-N -1 0 606.656 6.885 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102544547 554958703 /nfs/dbraw/zinc/95/87/03/554958703.db2.gz ZMAUQISYADBSRA-FECHNCLXSA-N -1 0 547.976 5.808 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102550627 554961680 /nfs/dbraw/zinc/96/16/80/554961680.db2.gz JVKAKSHLHFEMRQ-SBXHHDGASA-N -1 0 527.558 5.565 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102555378 554964043 /nfs/dbraw/zinc/96/40/43/554964043.db2.gz PSTWANZAFPUTRX-CZNAVJSXSA-N -1 0 586.641 6.281 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102559892 554967173 /nfs/dbraw/zinc/96/71/73/554967173.db2.gz PUNSBCOZYYCYSA-TXTDGAROSA-N -1 0 597.048 7.140 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102563931 554969114 /nfs/dbraw/zinc/96/91/14/554969114.db2.gz RSCQKEAXOBTMHN-KYWXLPDZSA-N -1 0 504.514 5.524 50 30 KKEARM C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1 ZINC000102574597 554971197 /nfs/dbraw/zinc/97/11/97/554971197.db2.gz JNLZAFHFFATULK-FLJNSMSWSA-N -1 0 578.621 7.177 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102580252 554972217 /nfs/dbraw/zinc/97/22/17/554972217.db2.gz BUHRNTXPCZGUPO-AYWGPLOBSA-N -1 0 612.516 6.535 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000102589818 554973816 /nfs/dbraw/zinc/97/38/16/554973816.db2.gz OKBVGDJVMRLNSO-LHDNAEKUSA-N -1 0 502.379 5.103 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102597703 554977055 /nfs/dbraw/zinc/97/70/55/554977055.db2.gz SGNBHFLAHISLHQ-CJJGVWJISA-N -1 0 601.706 6.017 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102602704 554977985 /nfs/dbraw/zinc/97/79/85/554977985.db2.gz IHAFYXDHGXPMTC-AIKCTZLLSA-N -1 0 592.098 6.139 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102607247 554979798 /nfs/dbraw/zinc/97/97/98/554979798.db2.gz NPUMQXUHTMQXFS-ZHHPLPSFSA-N -1 0 596.061 6.020 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102609071 554980841 /nfs/dbraw/zinc/98/08/41/554980841.db2.gz UGMJKFGGJMRBKC-UUALVTFQSA-N -1 0 599.734 6.660 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102615333 554984284 /nfs/dbraw/zinc/98/42/84/554984284.db2.gz JRTLDRGVCWHUEN-CJJGVWJISA-N -1 0 620.152 7.005 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102618540 554985490 /nfs/dbraw/zinc/98/54/90/554985490.db2.gz VJLBQZQUJWCPMJ-NSEAICKMSA-N -1 0 508.983 5.257 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102622294 554987415 /nfs/dbraw/zinc/98/74/15/554987415.db2.gz SRCRHELPRPYMBF-DEOSSOPVSA-N -1 0 578.643 5.389 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102652442 554996596 /nfs/dbraw/zinc/99/65/96/554996596.db2.gz IABWBCMZBFEZJH-ZHJYXLETSA-N -1 0 627.788 7.267 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102653358 554997156 /nfs/dbraw/zinc/99/71/56/554997156.db2.gz JJQBQLNPHNFHHE-WGQAXHKASA-N -1 0 516.550 5.394 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102654615 554997708 /nfs/dbraw/zinc/99/77/08/554997708.db2.gz GKFCYGSISOMEGX-QBTYMPIYSA-N -1 0 569.639 5.384 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102655228 554998024 /nfs/dbraw/zinc/99/80/24/554998024.db2.gz RSCQKEAXOBTMHN-YMCWBSDSSA-N -1 0 504.514 5.524 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102657573 554999612 /nfs/dbraw/zinc/99/96/12/554999612.db2.gz HVTOXUZYSRLQCF-HALAOQOWSA-N -1 0 577.634 6.058 50 30 KKEARM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102705197 555014367 /nfs/dbraw/zinc/01/43/67/555014367.db2.gz KTHWANXJBSLOAC-IUKMQXEJSA-N -1 0 530.602 5.647 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102705635 555014399 /nfs/dbraw/zinc/01/43/99/555014399.db2.gz LDCDKMYPDIJAHZ-IUKMQXEJSA-N -1 0 514.603 5.811 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1 ZINC000102712709 555017319 /nfs/dbraw/zinc/01/73/19/555017319.db2.gz SRUOQGBCAGLKBB-SBXHHDGASA-N -1 0 515.566 5.499 50 30 KKEARM CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102719665 555019622 /nfs/dbraw/zinc/01/96/22/555019622.db2.gz BBYFYJCAKZJUCJ-ONQGDUAMSA-N -1 0 526.658 7.007 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102721512 555020220 /nfs/dbraw/zinc/02/02/20/555020220.db2.gz PNJAREUPJAZCSA-SBXHHDGASA-N -1 0 518.591 5.794 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102722340 555020485 /nfs/dbraw/zinc/02/04/85/555020485.db2.gz DFFCKWVSRSPBNC-MOBKVPTQSA-N -1 0 519.966 6.047 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102729128 555023007 /nfs/dbraw/zinc/02/30/07/555023007.db2.gz RTFMBJQPAHNVRN-JBCNATCCSA-N -1 0 523.408 6.149 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102730943 555023738 /nfs/dbraw/zinc/02/37/38/555023738.db2.gz QSMOCYHTNLDBMO-NHFXJNLRSA-N -1 0 509.381 5.841 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102733297 555024341 /nfs/dbraw/zinc/02/43/41/555024341.db2.gz QHVBXNRPSJNWHZ-SBXHHDGASA-N -1 0 500.576 5.502 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733471 555024396 /nfs/dbraw/zinc/02/43/96/555024396.db2.gz OHCKUAUCDQFAHJ-SBXHHDGASA-N -1 0 544.585 5.035 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736932 555026323 /nfs/dbraw/zinc/02/63/23/555026323.db2.gz FGDSXLUFVPIPLJ-YMCWBSDSSA-N -1 0 547.976 5.808 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102770792 555058265 /nfs/dbraw/zinc/05/82/65/555058265.db2.gz POKKWNQXRAOCJH-KNZGKXHUSA-N -1 0 551.451 6.861 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771310 555060012 /nfs/dbraw/zinc/06/00/12/555060012.db2.gz GGOZJWHURATZQL-HALAOQOWSA-N -1 0 610.544 7.087 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102862950 555092898 /nfs/dbraw/zinc/09/28/98/555092898.db2.gz HDDOXQMQJQKLQG-HFEWCJDKSA-N -1 0 503.511 5.587 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102867406 555097006 /nfs/dbraw/zinc/09/70/06/555097006.db2.gz GOBMUBCWDWJZOW-ZDZPXDOOSA-N -1 0 577.058 6.307 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102868933 555098191 /nfs/dbraw/zinc/09/81/91/555098191.db2.gz NGKWEYATQDACPK-HVESIFNPSA-N -1 0 547.814 5.280 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870513 555100746 /nfs/dbraw/zinc/10/07/46/555100746.db2.gz UHVXCIDVHLRYIN-ZHJYXLETSA-N -1 0 627.788 7.349 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2)cc1 ZINC000102873502 555104049 /nfs/dbraw/zinc/10/40/49/555104049.db2.gz IOBKHKVNVHBHKK-MRJHHRETSA-N -1 0 506.580 5.043 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102874513 555104511 /nfs/dbraw/zinc/10/45/11/555104511.db2.gz HBDCCRXFAPMWQP-LFVOPCPISA-N -1 0 547.416 5.488 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102875221 555105145 /nfs/dbraw/zinc/10/51/45/555105145.db2.gz XDMTXKHCNGRSMV-NHFXJNLRSA-N -1 0 509.356 5.824 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102875820 555105860 /nfs/dbraw/zinc/10/58/60/555105860.db2.gz OISFPJHZMAWVJW-MOBKVPTQSA-N -1 0 553.409 6.223 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102875817 555105877 /nfs/dbraw/zinc/10/58/77/555105877.db2.gz OISFPJHZMAWVJW-HOGKFDNTSA-N -1 0 553.409 6.223 50 30 KKEARM COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102876467 555106102 /nfs/dbraw/zinc/10/61/02/555106102.db2.gz JEBZCXMBBRIJNS-HOGKFDNTSA-N -1 0 524.957 5.732 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102878405 555107752 /nfs/dbraw/zinc/10/77/52/555107752.db2.gz BEQDDVGCALKRQQ-SELCWUDQSA-N -1 0 500.935 5.047 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102879274 555108510 /nfs/dbraw/zinc/10/85/10/555108510.db2.gz QETZONOYERPLCG-HOGKFDNTSA-N -1 0 569.864 6.737 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102881366 555110187 /nfs/dbraw/zinc/11/01/87/555110187.db2.gz GBYVGOLEMFYEOZ-MOBKVPTQSA-N -1 0 501.520 5.230 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000102884340 555113190 /nfs/dbraw/zinc/11/31/90/555113190.db2.gz CDONGKQZFJKPBD-OGHRCCBNSA-N -1 0 606.125 6.442 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102884720 555114229 /nfs/dbraw/zinc/11/42/29/555114229.db2.gz CBIMUKNYNYMTQB-NPJIAGGLSA-N -1 0 599.621 5.660 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102885259 555115566 /nfs/dbraw/zinc/11/55/66/555115566.db2.gz BALBVIOTKHBNPK-IUKMQXEJSA-N -1 0 572.614 5.891 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885688 555115779 /nfs/dbraw/zinc/11/57/79/555115779.db2.gz BVGXZVBTJOCNIF-SBXHHDGASA-N -1 0 578.643 5.205 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886510 555116976 /nfs/dbraw/zinc/11/69/76/555116976.db2.gz ZQXUWSYQDGMJKD-WGQAXHKASA-N -1 0 561.015 5.686 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102887298 555118871 /nfs/dbraw/zinc/11/88/71/555118871.db2.gz YZPKENIGULFGEA-TVXPFAQOSA-N -1 0 620.152 6.832 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102888853 555122577 /nfs/dbraw/zinc/12/25/77/555122577.db2.gz OTRCYTZUMXLPFG-JRPVAJNPSA-N -1 0 547.032 6.298 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1 ZINC000102889177 555123064 /nfs/dbraw/zinc/12/30/64/555123064.db2.gz FZEBWGZORDTNHW-IUKMQXEJSA-N -1 0 592.670 5.595 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000102891192 555126796 /nfs/dbraw/zinc/12/67/96/555126796.db2.gz HCGBABHEXWJFNQ-FSDXSRJSSA-N -1 0 606.125 6.442 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccs2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102894080 555131993 /nfs/dbraw/zinc/13/19/93/555131993.db2.gz GOYOUIDHQDFOHK-YDJIHCHBSA-N -1 0 510.980 5.409 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102894828 555133231 /nfs/dbraw/zinc/13/32/31/555133231.db2.gz RSJILABPAUJYFP-CZNAVJSXSA-N -1 0 574.611 5.110 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102895418 555134285 /nfs/dbraw/zinc/13/42/85/555134285.db2.gz FQQGDAFKVHBLNE-NSOCNUKWSA-N -1 0 620.724 6.156 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102896281 555135944 /nfs/dbraw/zinc/13/59/44/555135944.db2.gz HECXZJJPZOUAJP-UUALVTFQSA-N -1 0 534.609 5.832 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102896913 555137266 /nfs/dbraw/zinc/13/72/66/555137266.db2.gz SDZPHNYHAHRVTA-MIOXIQPJSA-N -1 0 616.692 6.280 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102897062 555137311 /nfs/dbraw/zinc/13/73/11/555137311.db2.gz ZHSFQIIDEAFQJI-IIHDFJPDSA-N -1 0 571.680 5.789 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102898141 555138168 /nfs/dbraw/zinc/13/81/68/555138168.db2.gz LSBACRVIMTVQHE-CJJGVWJISA-N -1 0 520.582 5.442 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899533 555139339 /nfs/dbraw/zinc/13/93/39/555139339.db2.gz SLZPCADTYOCITQ-HAQIDCBSSA-N -1 0 547.032 6.298 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102899530 555139401 /nfs/dbraw/zinc/13/94/01/555139401.db2.gz SLZPCADTYOCITQ-CGKJMNDRSA-N -1 0 547.032 6.298 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102899469 555139433 /nfs/dbraw/zinc/13/94/33/555139433.db2.gz SAEVUAAUPQMQLK-YFVVEFNMSA-N -1 0 613.761 6.877 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000102926173 555150640 /nfs/dbraw/zinc/15/06/40/555150640.db2.gz VUTVBDFXVIPBKM-LFVOPCPISA-N -1 0 512.609 5.105 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102926535 555151148 /nfs/dbraw/zinc/15/11/48/555151148.db2.gz MWUXJROOSSNIBB-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102927970 555152806 /nfs/dbraw/zinc/15/28/06/555152806.db2.gz AKCWMBFAULDYHG-LFVOPCPISA-N -1 0 547.416 5.488 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930387 555156967 /nfs/dbraw/zinc/15/69/67/555156967.db2.gz WHFKJOHWZAHBIH-MOBKVPTQSA-N -1 0 520.538 5.088 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102930383 555157068 /nfs/dbraw/zinc/15/70/68/555157068.db2.gz WHFKJOHWZAHBIH-HOGKFDNTSA-N -1 0 520.538 5.088 50 30 KKEARM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000102975163 555184638 /nfs/dbraw/zinc/18/46/38/555184638.db2.gz GUNQZZMJRXGITI-UHFFFAOYSA-N -1 0 562.736 6.576 50 30 KKEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccc(Br)c(C)c3C)c2=O)c(C#N)c1C ZINC000103646247 555460784 /nfs/dbraw/zinc/46/07/84/555460784.db2.gz FYZJNXAFRDMVPK-YBEGLDIGSA-N -1 0 501.406 5.203 50 30 KKEARM Cc1[n-]n(-c2ncc(-c3ccc(Cl)cc3)s2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000108250489 571422882 /nfs/dbraw/zinc/42/28/82/571422882.db2.gz QVWMRSITEFAUDV-OAQYLSRUSA-N -1 0 524.831 6.221 50 30 KKEARM N#Cc1c2c(sc1N1C(=O)C[C@H](Sc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3)C1=O)-c1ccccc1CC2 ZINC000113628194 571441614 /nfs/dbraw/zinc/44/16/14/571441614.db2.gz VGAQBAZGXVDATF-VWLOTQADSA-N -1 0 579.659 5.760 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919034 571445419 /nfs/dbraw/zinc/44/54/19/571445419.db2.gz JFBCPEYXJIIHIY-DUDHGSDHSA-N -1 0 558.760 5.238 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344382 571459251 /nfs/dbraw/zinc/45/92/51/571459251.db2.gz WGZYEJQZCIIECH-PGIPBFRLSA-N -1 0 662.089 6.781 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1[O-] ZINC000150348680 571461278 /nfs/dbraw/zinc/46/12/78/571461278.db2.gz WZAOCJQHGBXAAF-LNMUSBCZSA-N -1 0 619.181 7.382 50 30 KKEARM Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1 ZINC000150354438 571462981 /nfs/dbraw/zinc/46/29/81/571462981.db2.gz QMXQGSVYZGCUAI-LUOAPIJWSA-N -1 0 699.377 7.309 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000150355345 571463075 /nfs/dbraw/zinc/46/30/75/571463075.db2.gz CQKHNAVWXHTRFP-KIBLKLHPSA-N -1 0 707.194 8.017 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000150355346 571463079 /nfs/dbraw/zinc/46/30/79/571463079.db2.gz MQFMFGVZJCMXNZ-KIBLKLHPSA-N -1 0 613.194 8.332 50 30 KKEARM O=C(CSc1nc2ccc(/N=C\c3cc(I)cc(I)c3[O-])cc2s1)Nc1ccc2c(c1)oc1ccccc12 ZINC000150355663 571463170 /nfs/dbraw/zinc/46/31/70/571463170.db2.gz ZNHHWCDCANTWJE-AAPHRLRXSA-N -1 0 761.404 8.592 50 30 KKEARM CCCCCCCCN1C(=O)/C(=c2\s/c(=C\c3ccc4c(c3)[C@@H]3CCC[C@@H]3N4c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c(=O)n2CC(=O)[O-])SC1=S ZINC000150369900 571465750 /nfs/dbraw/zinc/46/57/50/571465750.db2.gz WZGXSNHXTGGEGJ-FXIWJAPBSA-N -1 0 826.122 9.529 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(S(=O)(=O)N/N=c2\sc3ccccc3n2C)cc1C(=O)[O-] ZINC000150389020 571471380 /nfs/dbraw/zinc/47/13/80/571471380.db2.gz DSVFBCQRKCGQME-MVJHLKBCSA-N -1 0 651.917 6.987 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)[O-])cc1NC(=O)C1=CC(=NNc2cccc(NS(C)(=O)=O)c2)c2ccccc2C1=O ZINC000150398349 571477224 /nfs/dbraw/zinc/47/72/24/571477224.db2.gz KRNSRORQCPUZIW-XVIFHXHVSA-N -1 0 822.107 11.529 50 30 KKEARM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)Nc3ccccc3Cl)c2)c1 ZINC000150408274 571480638 /nfs/dbraw/zinc/48/06/38/571480638.db2.gz XKSOWZZPQNSVMG-UHFFFAOYSA-N -1 0 667.209 5.611 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000150413147 571484565 /nfs/dbraw/zinc/48/45/65/571484565.db2.gz CGNINLSWZYXAQP-AREMUKBSSA-N -1 0 636.557 8.521 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418423 571486466 /nfs/dbraw/zinc/48/64/66/571486466.db2.gz QXWNMBQFAXVJTM-UUALVTFQSA-N -1 0 649.722 6.164 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418209 571486525 /nfs/dbraw/zinc/48/65/25/571486525.db2.gz IECSAWRQOZEICZ-XKNZNLGKSA-N -1 0 664.205 7.231 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422192 571488021 /nfs/dbraw/zinc/48/80/21/571488021.db2.gz PCXGNBGMNYVOGS-FFMCZVIESA-N -1 0 671.841 7.604 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422313 571488196 /nfs/dbraw/zinc/48/81/96/571488196.db2.gz UKDMSRKFXSCEFL-VEZPTTSMSA-N -1 0 673.813 7.052 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422209 571488266 /nfs/dbraw/zinc/48/82/66/571488266.db2.gz ZFEYBRVWBRBPHQ-VEZPTTSMSA-N -1 0 684.195 7.460 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422316 571488315 /nfs/dbraw/zinc/48/83/15/571488315.db2.gz UKDMSRKFXSCEFL-QMMFTLRZSA-N -1 0 673.813 7.052 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCCC(C)C ZINC000150424444 571489130 /nfs/dbraw/zinc/48/91/30/571489130.db2.gz XHHIFHWTMOCGJJ-JNYBUSFRSA-N -1 0 706.286 8.257 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426351 571490567 /nfs/dbraw/zinc/49/05/67/571490567.db2.gz YOQFDFNZDWOERT-OGHRCCBNSA-N -1 0 634.135 6.220 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426354 571490629 /nfs/dbraw/zinc/49/06/29/571490629.db2.gz YOQFDFNZDWOERT-FSDXSRJSSA-N -1 0 634.135 6.220 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150433280 571494539 /nfs/dbraw/zinc/49/45/39/571494539.db2.gz LAODITYOIOZXIK-JOCHJYFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435427 571495412 /nfs/dbraw/zinc/49/54/12/571495412.db2.gz IVTKOYCZXOACFX-VEZPTTSMSA-N -1 0 718.640 8.114 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435576 571495532 /nfs/dbraw/zinc/49/55/32/571495532.db2.gz ZZILABCOXMIXAC-GXKLCEICSA-N -1 0 760.721 9.065 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 ZINC000150439724 571497494 /nfs/dbraw/zinc/49/74/94/571497494.db2.gz UCYRZWYTLNYIBE-WSOTVMCUSA-N -1 0 691.831 7.758 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439922 571497631 /nfs/dbraw/zinc/49/76/31/571497631.db2.gz KUHBNGFSFAQCBP-KFLIVHAJSA-N -1 0 728.248 7.859 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCc1ccccc1 ZINC000150439928 571497641 /nfs/dbraw/zinc/49/76/41/571497641.db2.gz KUHBNGFSFAQCBP-SZYGQJGOSA-N -1 0 728.248 7.859 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445071 571500126 /nfs/dbraw/zinc/50/01/26/571500126.db2.gz YYWQOSSROGXSSI-CDMMYUFDSA-N -1 0 639.129 7.487 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150445078 571500158 /nfs/dbraw/zinc/50/01/58/571500158.db2.gz YYWQOSSROGXSSI-ORMNNRERSA-N -1 0 639.129 7.487 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445192 571500194 /nfs/dbraw/zinc/50/01/94/571500194.db2.gz SFWZOGMPTPFLIR-KFLIVHAJSA-N -1 0 660.748 7.934 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150445584 571500705 /nfs/dbraw/zinc/50/07/05/571500705.db2.gz WLDZAZUWZKYCOL-QZDFLZESSA-N -1 0 647.778 7.359 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000150447243 571501343 /nfs/dbraw/zinc/50/13/43/571501343.db2.gz GQVBCVKBRZEWRI-DEOSSOPVSA-N -1 0 642.067 5.338 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457416 571504854 /nfs/dbraw/zinc/50/48/54/571504854.db2.gz GOTFXUMMRMZYHF-VXJPNWOUSA-N -1 0 641.771 6.744 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150457531 571504985 /nfs/dbraw/zinc/50/49/85/571504985.db2.gz ZXSIOKUULPFQPW-DDLSXHCZSA-N -1 0 675.804 7.497 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457714 571505062 /nfs/dbraw/zinc/50/50/62/571505062.db2.gz MKHIVYJSBDUFCO-UZGIXAGNSA-N -1 0 692.259 8.011 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150458728 571505553 /nfs/dbraw/zinc/50/55/53/571505553.db2.gz CSMVLPGZCSFUOR-ICQXDZJJSA-N -1 0 655.798 7.052 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000150460662 571506072 /nfs/dbraw/zinc/50/60/72/571506072.db2.gz IEOXKJNPQFGQCR-QMMFTLRZSA-N -1 0 641.101 6.935 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460632 571506214 /nfs/dbraw/zinc/50/62/14/571506214.db2.gz JKLBPGVAZJASOH-YELMDPSYSA-N -1 0 641.815 7.513 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150462806 571506776 /nfs/dbraw/zinc/50/67/76/571506776.db2.gz MVXUFUWGMRNRTA-FFMCZVIESA-N -1 0 671.841 7.748 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463210 571507015 /nfs/dbraw/zinc/50/70/15/571507015.db2.gz RFPIPEUKSBZXFL-YELMDPSYSA-N -1 0 641.815 7.658 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463702 571507552 /nfs/dbraw/zinc/50/75/52/571507552.db2.gz HZMUETVAUGBJME-VMFRQMAUSA-N -1 0 648.206 7.612 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150464420 571507664 /nfs/dbraw/zinc/50/76/64/571507664.db2.gz UIGXRKOXTLMZAE-GRBPGWBESA-N -1 0 712.677 8.274 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150469564 571508795 /nfs/dbraw/zinc/50/87/95/571508795.db2.gz NLGCCBHKMREHBL-CJJGVWJISA-N -1 0 634.135 6.446 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469632 571508813 /nfs/dbraw/zinc/50/88/13/571508813.db2.gz YZGVDIIXQZDQFR-QMDVFYPZSA-N -1 0 676.216 7.397 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000150472714 571510214 /nfs/dbraw/zinc/51/02/14/571510214.db2.gz JVGWSARPEKHLOS-WGQAXHKASA-N -1 0 628.534 7.226 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150479356 571511660 /nfs/dbraw/zinc/51/16/60/571511660.db2.gz RJIKOQZFJBKBTK-DFXXOVSGSA-N -1 0 647.750 6.936 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150479552 571511732 /nfs/dbraw/zinc/51/17/32/571511732.db2.gz GIMMAIRSRUTFIJ-VEZPTTSMSA-N -1 0 684.195 7.460 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150481335 571512507 /nfs/dbraw/zinc/51/25/07/571512507.db2.gz ZUPKBPIDNWZANI-TXTDGAROSA-N -1 0 664.205 7.450 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150483089 571513854 /nfs/dbraw/zinc/51/38/54/571513854.db2.gz GCMDYJPZUKJBDF-QMMFTLRZSA-N -1 0 742.703 8.502 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150488571 571516858 /nfs/dbraw/zinc/51/68/58/571516858.db2.gz HYLRRDGDSNMCPX-CZNAVJSXSA-N -1 0 636.151 6.670 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1/cc(-c2ccc(S(C)(=O)=O)cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000150611119 571523081 /nfs/dbraw/zinc/52/30/81/571523081.db2.gz PZRNPUNHJDKYJT-NMSHJFGGSA-N -1 0 695.970 6.712 50 30 KKEARM COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)C1C(=O)C(=O)C([C@@H](CC(=O)OC)c2ccc(OC(C)C)c(OC)c2)=C([O-])C1=O ZINC000217968114 571602728 /nfs/dbraw/zinc/60/27/28/571602728.db2.gz ILMZEIMERQQJLQ-VXKWHMMOSA-N -1 0 640.682 5.048 50 30 biogenic KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000239302886 572193265 /nfs/dbraw/zinc/19/32/65/572193265.db2.gz FTQDJVZNPJRVPG-FASYYSSYSA-N -1 0 512.731 6.983 50 30 KKEARM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000239302891 572193318 /nfs/dbraw/zinc/19/33/18/572193318.db2.gz FTQDJVZNPJRVPG-XDAQOHOPSA-N -1 0 512.731 6.983 50 30 KKEARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(Nc3ccc(F)cc3)C4=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245226429 572203982 /nfs/dbraw/zinc/20/39/82/572203982.db2.gz WMKLFPXUNOJLQJ-BQRBMFCOSA-N -1 0 804.865 5.209 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000252504391 572261865 /nfs/dbraw/zinc/26/18/65/572261865.db2.gz ANKSFLDOVZNXOJ-HUIMXUKNSA-N -1 0 994.129 10.456 50 30 KKEARM O=C1NC(=NN=Cc2ccccc2Cl)S/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000252606671 572267860 /nfs/dbraw/zinc/26/78/60/572267860.db2.gz GUHNGVPLBILIEP-OKOGVSOOSA-N -1 0 515.614 5.165 50 30 KKEARM COc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4cccc(I)c4)nc3c2)c1[O-] ZINC000252617523 572268985 /nfs/dbraw/zinc/26/89/85/572268985.db2.gz KUVBXEYFRCPMFT-UHFFFAOYSA-N -1 0 515.263 5.472 50 30 KKEARM C=CCOc1c(Br)cc(/C=C2/SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Br ZINC000252625210 572270428 /nfs/dbraw/zinc/27/04/28/572270428.db2.gz QFISKEZMTVDBAZ-LMMXRSGHSA-N -1 0 552.244 5.708 50 30 KKEARM Cc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(I)c4[O-])ccc3o2)cc1 ZINC000252627656 572270752 /nfs/dbraw/zinc/27/07/52/572270752.db2.gz RYWIYRZJIUSPBJ-UHFFFAOYSA-N -1 0 533.163 6.627 50 30 KKEARM COc1c(Br)cc(C=Nc2ccccc2Sc2c(C)n[nH]c2C)c([O-])c1Br ZINC000252628136 572270925 /nfs/dbraw/zinc/27/09/25/572270925.db2.gz SIYLFHGKPCTPHL-UHFFFAOYSA-N -1 0 511.239 6.168 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1C=NN=c1nc(Nc2cccc(C(F)(F)F)c2)[nH]c(N2CCOCC2)n1 ZINC000252631473 572271445 /nfs/dbraw/zinc/27/14/45/572271445.db2.gz VLEFMRVFNFRMBW-UHFFFAOYSA-N -1 0 572.773 5.038 50 30 KKEARM CC(N=Nc1nc(-c2cc(Br)cc(Br)c2[O-])nc2ccccc21)c1ccc(I)cc1 ZINC000252632967 572271588 /nfs/dbraw/zinc/27/15/88/572271588.db2.gz VYIRZVVCHPYFKT-UHFFFAOYSA-N -1 0 638.101 6.968 50 30 KKEARM CCc1ccc(N=C2S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252638111 572272143 /nfs/dbraw/zinc/27/21/43/572272143.db2.gz XZNBSXNCWDOYKX-CQQVBEJESA-N -1 0 565.489 6.846 50 30 KKEARM CCc1ccccc1NC1=C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(c(c(c([O-])c4C)C2=O)C1=O)C3=O ZINC000253387630 572282571 /nfs/dbraw/zinc/28/25/71/572282571.db2.gz IZDYRXBFTDBGQL-NGZGZMSRSA-N -1 0 772.892 5.062 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H](CCC(C)C)c3ccco3)C1=O)O2 ZINC000253409680 572287235 /nfs/dbraw/zinc/28/72/35/572287235.db2.gz MFGREMZEBVDNAO-ONJQOHQHSA-N -1 0 521.610 5.361 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](c3ccc(Cl)cc3)C(C)C)C1=O)O2 ZINC000253414406 572288927 /nfs/dbraw/zinc/28/89/27/572288927.db2.gz XKFANHBDNWFFMU-ICXSUPDSSA-N -1 0 538.040 5.642 50 30 KKEARM O=C([O-])C[C@H](c1cccc(OCc2ccccn2)c1)c1c2c(ccc1O)C(=O)/C(=C/c1cc(F)c(F)c(F)c1)O2 ZINC000253415184 572289183 /nfs/dbraw/zinc/28/91/83/572289183.db2.gz ZXRGSNGFAOIGPQ-NJCFKQHQSA-N -1 0 547.485 6.006 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000253498800 572292870 /nfs/dbraw/zinc/29/28/70/572292870.db2.gz YSTHYYPRYHADNW-GBMRVJTDSA-N -1 0 521.654 5.152 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253499698 572293654 /nfs/dbraw/zinc/29/36/54/572293654.db2.gz MISRCEKKHJVMIX-ZYGPKYHGSA-N -1 0 574.718 5.504 50 30 KKEARM COC(=O)[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253504168 572296453 /nfs/dbraw/zinc/29/64/53/572296453.db2.gz QEJFEIOBCOMMKR-ZNWHDXIPSA-N -1 0 609.720 5.041 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533920 572299707 /nfs/dbraw/zinc/29/97/07/572299707.db2.gz UOROQCUKQLETSA-XHHDNOKHSA-N -1 0 577.722 5.072 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253534148 572299791 /nfs/dbraw/zinc/29/97/91/572299791.db2.gz ZPXHVNPZTXFIOI-STMHQOSJSA-N -1 0 534.697 5.224 50 30 KKEARM CSCC[C@H](NC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)c1nc(-c2ccccc2Cl)no1 ZINC000409415568 1070929515 /nfs/dbraw/zinc/92/95/15/1070929515.db2.gz QASSZKKHWJVCAM-IHLFRJKRSA-N -1 0 610.088 5.356 50 30 KKEARM O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000106837184 1071074641 /nfs/dbraw/zinc/07/46/41/1071074641.db2.gz VCNXFRWWANDUHA-JQAMDZJQSA-N -1 0 515.231 7.028 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000504334983 1071255274 /nfs/dbraw/zinc/25/52/74/1071255274.db2.gz IABIDMZHVGWLMT-DICSXNKESA-N -1 0 527.702 5.218 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000504334986 1071255459 /nfs/dbraw/zinc/25/54/59/1071255459.db2.gz IABIDMZHVGWLMT-ZPLQPDIDSA-N -1 0 527.702 5.218 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H]1C ZINC000604403877 1071267813 /nfs/dbraw/zinc/26/78/13/1071267813.db2.gz BHISCIDVPMIFKQ-WBNWAKSLSA-N -1 0 526.756 5.281 50 30 KKEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccc(Cl)c(Cl)c2)n1 ZINC000097980986 1072838779 /nfs/dbraw/zinc/83/87/79/1072838779.db2.gz BYTAKEJXYKRKLM-LAINMTBBSA-N -1 0 562.478 7.217 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cccc(OCc2ccccc2)c1 ZINC000254289326 1072843306 /nfs/dbraw/zinc/84/33/06/1072843306.db2.gz KFOVZGZIIDLLND-UHFFFAOYSA-N -1 0 532.578 5.429 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCCCC4)n3)c2)c1 ZINC000068572910 1072901007 /nfs/dbraw/zinc/90/10/07/1072901007.db2.gz NTMDEEKHRFQDNB-PPFNPFNJSA-N -1 0 586.656 7.440 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccc([N+](=O)[O-])c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651979 193869214 /nfs/dbraw/zinc/86/92/14/193869214.db2.gz BFLIMQRXKTXFPU-URAOTHONSA-N -1 0 525.561 5.669 50 30 KKEARM COc1cccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000000718041 551535046 /nfs/dbraw/zinc/53/50/46/551535046.db2.gz MJPCQJZPUVXXEX-KEEVHDRGSA-N -1 0 514.553 5.600 50 30 KKEARM CN(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000718111 551535050 /nfs/dbraw/zinc/53/50/50/551535050.db2.gz UGZFCRYLVXODPS-JCOAXYOVSA-N -1 0 544.051 6.171 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(F)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719693 551536091 /nfs/dbraw/zinc/53/60/91/551536091.db2.gz QOIZUQJWQPVTTG-PRAQEBQASA-N -1 0 514.553 5.600 50 30 KKEARM CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000728523 551538884 /nfs/dbraw/zinc/53/88/84/551538884.db2.gz RATGILKHGUOGSA-DCFHFQCYSA-N -1 0 502.567 5.538 50 30 KKEARM O=C([O-])CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001097619 551607938 /nfs/dbraw/zinc/60/79/38/551607938.db2.gz HRLPTMVMFGNOFG-SONOPUAISA-N -1 0 545.979 6.014 50 30 KKEARM CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001269761 551634402 /nfs/dbraw/zinc/63/44/02/551634402.db2.gz HCSWQYGOKBPNSF-PVAZPRTOSA-N -1 0 555.650 6.437 50 30 KKEARM CC[C@H](C)Oc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000001409090 551663695 /nfs/dbraw/zinc/66/36/95/551663695.db2.gz XCWQBYPGBWDIQW-NSYIEMIKSA-N -1 0 598.696 6.647 50 30 KKEARM CN(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409187 551663958 /nfs/dbraw/zinc/66/39/58/551663958.db2.gz GGRGZKDCSWLXFQ-UKPGIYTDSA-N -1 0 527.596 5.657 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437516 551671368 /nfs/dbraw/zinc/67/13/68/551671368.db2.gz UVNNOHLJUICXHP-WVDZOPJMSA-N -1 0 561.591 5.704 50 30 KKEARM COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000001437519 551671430 /nfs/dbraw/zinc/67/14/30/551671430.db2.gz DJYXDWKMHGDAOI-RXAIFQJESA-N -1 0 547.564 5.314 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000001446814 551674280 /nfs/dbraw/zinc/67/42/80/551674280.db2.gz OAKSJWYHEBMJLY-NRFANRHFSA-N -1 0 524.526 5.146 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccccc2Cl)cc1 ZINC000001456615 551676738 /nfs/dbraw/zinc/67/67/38/551676738.db2.gz CSVQAFGOAYSLOG-HZAQMHFWSA-N -1 0 531.008 6.114 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000001457405 551677022 /nfs/dbraw/zinc/67/70/22/551677022.db2.gz UURCXJWCKYCGQI-GHRAFVERSA-N -1 0 540.616 5.778 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000001458638 551677351 /nfs/dbraw/zinc/67/73/51/551677351.db2.gz JXDWEGODUOLYIB-GOSISDBHSA-N -1 0 527.396 5.174 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000001464738 551679994 /nfs/dbraw/zinc/67/99/94/551679994.db2.gz PDHCAPGFNALBJQ-SFHVURJKSA-N -1 0 517.390 5.718 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001474132 551680650 /nfs/dbraw/zinc/68/06/50/551680650.db2.gz MRRGQTIXIJSYGY-QFIPXVFZSA-N -1 0 530.558 5.796 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Br)c2)o1 ZINC000001479959 551681273 /nfs/dbraw/zinc/68/12/73/551681273.db2.gz DEFINGCPYAFRPV-NRFANRHFSA-N -1 0 523.408 6.360 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480153 551681475 /nfs/dbraw/zinc/68/14/75/551681475.db2.gz LBIORWHJBGRFHL-HSZRJFAPSA-N -1 0 536.993 5.758 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000001480904 551682161 /nfs/dbraw/zinc/68/21/61/551682161.db2.gz RUPDTPBNONGHHK-NRFANRHFSA-N -1 0 539.407 6.142 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000001480905 551682230 /nfs/dbraw/zinc/68/22/30/551682230.db2.gz RUPDTPBNONGHHK-OAQYLSRUSA-N -1 0 539.407 6.142 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000001481483 551682640 /nfs/dbraw/zinc/68/26/40/551682640.db2.gz VLOFNAVWLWNJML-NRFANRHFSA-N -1 0 524.957 5.889 50 30 KKEARM COc1ccc(/C=N/n2cc(-c3ccc(Cl)cc3)nc2/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000001815084 551707303 /nfs/dbraw/zinc/70/73/03/551707303.db2.gz IFBOPDZMLMTFRE-DLTPIIMKSA-N -1 0 588.687 7.076 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000001832767 551711694 /nfs/dbraw/zinc/71/16/94/551711694.db2.gz XQSRTGXRBMVFND-FYJGNVAPSA-N -1 0 500.649 5.886 50 30 KKEARM CCOC(=O)c1sc(/N=C/c2cc(Br)cc(Br)c2[O-])c(C(=O)OCC)c1C ZINC000001954774 551735545 /nfs/dbraw/zinc/73/55/45/551735545.db2.gz QQQAFEFIEHCWTK-ODCIPOBUSA-N -1 0 519.211 5.391 50 30 KKEARM C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000002126709 551771991 /nfs/dbraw/zinc/77/19/91/551771991.db2.gz FYDUZYSIWRNRHX-UHFFFAOYSA-N -1 0 510.030 5.512 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCCCCCCCCCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1 ZINC000002128090 551772220 /nfs/dbraw/zinc/77/22/20/551772220.db2.gz IQRUUIVOWAYBNZ-UHFFFAOYSA-N -1 0 533.753 7.968 50 30 biogenic KKEARM CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1 ZINC000002181675 551785087 /nfs/dbraw/zinc/78/50/87/551785087.db2.gz OWZGVCVPPZEIMH-MZJWZYIUSA-N -1 0 520.636 6.516 50 30 KKEARM [O-]c1c(I)cc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000002186534 551787529 /nfs/dbraw/zinc/78/75/29/551787529.db2.gz JTBCKPKCAPFSJS-YSURURNPSA-N -1 0 509.130 6.862 50 30 KKEARM CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002593946 552133800 /nfs/dbraw/zinc/13/38/00/552133800.db2.gz RYHYXITZQKZOJS-UHFFFAOYSA-N -1 0 583.552 7.676 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2 ZINC000002863469 552204645 /nfs/dbraw/zinc/20/46/45/552204645.db2.gz UNUDBVACSUZELC-MHZLTWQESA-N -1 0 543.973 5.613 50 30 KKEARM Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Oc3ccccc3C)ccc1-2 ZINC000003077004 552285276 /nfs/dbraw/zinc/28/52/76/552285276.db2.gz UKIQZYCAVKCOGT-UHFFFAOYSA-N -1 0 535.599 5.046 50 30 KKEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1 ZINC000003078752 552285369 /nfs/dbraw/zinc/28/53/69/552285369.db2.gz PDIIZWSCINOOFK-UHFFFAOYSA-N -1 0 518.435 6.540 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000003102989 552288111 /nfs/dbraw/zinc/28/81/11/552288111.db2.gz AJLQUXRWFGXGJR-YSURURNPSA-N -1 0 509.130 6.862 50 30 KKEARM [O-]c1c(Br)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c(O)c1Br ZINC000003113101 552289898 /nfs/dbraw/zinc/28/98/98/552289898.db2.gz GEEYOIPECIZCHS-PGGKNCGUSA-N -1 0 506.125 6.321 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003113917 552290139 /nfs/dbraw/zinc/29/01/39/552290139.db2.gz IHDKOMDVQHJYPA-YCPBAFNGSA-N -1 0 524.571 7.269 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)ccc3[O-])nc2c1 ZINC000003116356 552290412 /nfs/dbraw/zinc/29/04/12/552290412.db2.gz ZDABQFUMDWGKNE-OKCVXOCRSA-N -1 0 527.374 7.241 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000003626890 552395863 /nfs/dbraw/zinc/39/58/63/552395863.db2.gz VNWRZIFECDBPJV-NDEPHWFRSA-N -1 0 523.555 5.002 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1[O-] ZINC000003659899 552405582 /nfs/dbraw/zinc/40/55/82/552405582.db2.gz BCFQDVYQAAFTKJ-WBSLIQCRSA-N -1 0 551.184 6.363 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1)Nc1ccc(F)cc1 ZINC000003663603 552408068 /nfs/dbraw/zinc/40/80/68/552408068.db2.gz QZEAOHQVSQZBFM-NSKAYECMSA-N -1 0 506.411 6.929 50 30 KKEARM O=C(CSc1nc2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2s1)NC1CCCCC1 ZINC000003664752 552408576 /nfs/dbraw/zinc/40/85/76/552408576.db2.gz HPTVRIUROYHSJQ-OPEKNORGSA-N -1 0 583.371 6.819 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1Br ZINC000004018569 552429725 /nfs/dbraw/zinc/42/97/25/552429725.db2.gz PXSZXSLDZPWHRS-KIBLKLHPSA-N -1 0 675.058 6.931 50 30 KKEARM O=C1c2ccccc2/C(=N/c2ccc(/N=C\c3cc(Br)cc(Br)c3[O-])cc2)[C@@H]1c1ccccc1 ZINC000004577869 552468987 /nfs/dbraw/zinc/46/89/87/552468987.db2.gz NSSMEGKABSENDU-UTCXWZAKSA-N -1 0 574.272 7.769 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@H]2c2cccc(Cl)c2)nc1C ZINC000005355123 552498314 /nfs/dbraw/zinc/49/83/14/552498314.db2.gz HBJUQQYSRAUAOQ-OAQYLSRUSA-N -1 0 541.025 5.772 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005355068 552498318 /nfs/dbraw/zinc/49/83/18/552498318.db2.gz PVVZHKIPSOIXEQ-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005355245 552498609 /nfs/dbraw/zinc/49/86/09/552498609.db2.gz ZODDBSSJTXWHFG-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000005355371 552498689 /nfs/dbraw/zinc/49/86/89/552498689.db2.gz FRQXSEBTQZLAED-HSZRJFAPSA-N -1 0 550.633 5.517 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1C ZINC000005355559 552498921 /nfs/dbraw/zinc/49/89/21/552498921.db2.gz IBBMIUGRZZIXNW-NRFANRHFSA-N -1 0 524.570 5.257 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000005355759 552498945 /nfs/dbraw/zinc/49/89/45/552498945.db2.gz PQNKSDPCPCKJGW-LJQANCHMSA-N -1 0 531.417 6.026 50 30 KKEARM C=C(CC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000005369099 552500102 /nfs/dbraw/zinc/50/01/02/552500102.db2.gz VDYCLYGKCGVBHN-DRCQUEPLSA-N -1 0 528.774 7.331 50 30 biogenic,in-vitro KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000005919004 552512013 /nfs/dbraw/zinc/51/20/13/552512013.db2.gz CTMHWFFDWNKRTQ-HSZRJFAPSA-N -1 0 566.632 5.223 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005919757 552512237 /nfs/dbraw/zinc/51/22/37/552512237.db2.gz HFLIPYLIUGBBTK-JOCHJYFZSA-N -1 0 536.581 5.423 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006016180 552519563 /nfs/dbraw/zinc/51/95/63/552519563.db2.gz JVUNLHHAMWYDSD-QHCPKHFHSA-N -1 0 579.612 5.383 50 30 KKEARM O=C([O-])c1ccc(-c2ccc(CN=Nc3nc(Nc4cccc5ccccc54)nc(N4CCOCC4)n3)o2)cc1 ZINC000006144729 552547241 /nfs/dbraw/zinc/54/72/41/552547241.db2.gz SRZIORJISFEUNM-UXHLAJHPSA-N -1 0 535.564 5.009 50 30 KKEARM COc1ccc(NC(=S)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146432 552547981 /nfs/dbraw/zinc/54/79/81/552547981.db2.gz ZPKZHTGYEPLWTR-UHFFFAOYSA-N -1 0 551.621 6.129 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1[O-] ZINC000006473788 552591951 /nfs/dbraw/zinc/59/19/51/552591951.db2.gz JAPYMGQWRGPDTN-ZMOGYAJESA-N -1 0 521.335 5.181 50 30 KKEARM COC(=O)c1c(/N=C/c2cc(I)cc(I)c2[O-])sc2c1CCCC2 ZINC000006879005 552976178 /nfs/dbraw/zinc/97/61/78/552976178.db2.gz ZNGROSWLBCQQHB-DNTJNYDQSA-N -1 0 567.186 5.079 50 30 KKEARM CN(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000008383431 552986584 /nfs/dbraw/zinc/98/65/84/552986584.db2.gz DFLWDGWAFPUJKO-RUZDIDTESA-N -1 0 603.125 7.079 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383476 552986715 /nfs/dbraw/zinc/98/67/15/552986715.db2.gz XFDYLVMHYNYJAK-MUUNZHRXSA-N -1 0 629.735 8.068 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383450 552986758 /nfs/dbraw/zinc/98/67/58/552986758.db2.gz UJGNUEZDJMMGCF-QHCPKHFHSA-N -1 0 578.046 7.152 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(Br)cc3)s2)cc1 ZINC000008383954 552987987 /nfs/dbraw/zinc/98/79/87/552987987.db2.gz REWCLZOZWZKHBC-XMMPIXPASA-N -1 0 618.534 7.430 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000008395949 552994456 /nfs/dbraw/zinc/99/44/56/552994456.db2.gz WPHNXQHKYUSFKZ-PMXSRVMRSA-N -1 0 541.629 5.875 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)N(CCC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccccc1F ZINC000008396548 552995499 /nfs/dbraw/zinc/99/54/99/552995499.db2.gz JXWBYIYOZGJULN-UHFFFAOYSA-N -1 0 545.651 6.565 50 30 KKEARM O=C([N-]Cc1ccncc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008397218 552996462 /nfs/dbraw/zinc/99/64/62/552996462.db2.gz HITSOBNQKYUJPI-UHFFFAOYSA-N -1 0 536.210 5.410 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4Br)c3=O)n2)cc1 ZINC000008397571 552997032 /nfs/dbraw/zinc/99/70/32/552997032.db2.gz IRCKBUMFIGULOS-FAJYDZGRSA-N -1 0 577.420 5.708 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1 ZINC000008398152 552998278 /nfs/dbraw/zinc/99/82/78/552998278.db2.gz BYWFQPPXXPLUGT-ZXPTYKNPSA-N -1 0 523.936 5.698 50 30 KKEARM Cc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)c1 ZINC000008427380 553019869 /nfs/dbraw/zinc/01/98/69/553019869.db2.gz LDWQYRLZPDPJMR-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM COc1cc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc(F)c3)C2)cc(OC)c1OC ZINC000008432429 553026233 /nfs/dbraw/zinc/02/62/33/553026233.db2.gz ATWFLZVWWLZNAF-FZYZMVIOSA-N -1 0 574.605 5.617 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)nc1-c1ccccc1 ZINC000008435276 553030133 /nfs/dbraw/zinc/03/01/33/553030133.db2.gz PIJVJRYHBWZDFA-UHFFFAOYSA-N -1 0 573.803 8.864 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000008437880 553032130 /nfs/dbraw/zinc/03/21/30/553032130.db2.gz SVCXGWZROFYNIZ-UHFFFAOYSA-N -1 0 738.446 7.956 50 30 KKEARM O=C([O-])CN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(Br)cc3)cc2)C2=C1CCCC2=O ZINC000008437942 553032448 /nfs/dbraw/zinc/03/24/48/553032448.db2.gz WCRKPNSQEKUDAX-UHFFFAOYSA-N -1 0 536.422 5.526 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000008441063 553039602 /nfs/dbraw/zinc/03/96/02/553039602.db2.gz LIFNMQVLRQUYRR-QFIPXVFZSA-N -1 0 553.865 7.058 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441209 553039749 /nfs/dbraw/zinc/03/97/49/553039749.db2.gz MBNCAZUTZUXXGG-QHCPKHFHSA-N -1 0 604.507 7.122 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc(Br)c1O ZINC000008441181 553039762 /nfs/dbraw/zinc/03/97/62/553039762.db2.gz LYRPCYMJDPFTPS-HXUWFJFHSA-N -1 0 583.416 5.660 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1 ZINC000008441167 553039824 /nfs/dbraw/zinc/03/98/24/553039824.db2.gz LWLPAUIRAUZKMA-HSZRJFAPSA-N -1 0 514.559 5.748 50 30 KKEARM CCc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441240 553040114 /nfs/dbraw/zinc/04/01/14/553040114.db2.gz GUMPOEGQJWQZCT-VWLOTQADSA-N -1 0 553.665 6.922 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccc(O)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441778 553042377 /nfs/dbraw/zinc/04/23/77/553042377.db2.gz ZDIIYOJEXWCIFY-HHHXNRCGSA-N -1 0 591.670 7.218 50 30 KKEARM CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)cc(Br)c2OCC(=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000008461819 553075450 /nfs/dbraw/zinc/07/54/50/553075450.db2.gz QBXPSLUJWUXUGP-UHFFFAOYSA-N -1 0 623.382 6.771 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008464641 553075715 /nfs/dbraw/zinc/07/57/15/553075715.db2.gz DNMISWFTXQNGDM-OAQYLSRUSA-N -1 0 532.312 6.259 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008837193 553163753 /nfs/dbraw/zinc/16/37/53/553163753.db2.gz VSHGQSWLQCEZQE-HSZRJFAPSA-N -1 0 520.538 5.244 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008838143 553164922 /nfs/dbraw/zinc/16/49/22/553164922.db2.gz UOVWCLCCXNKFKL-HSZRJFAPSA-N -1 0 520.538 5.244 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008838249 553164988 /nfs/dbraw/zinc/16/49/88/553164988.db2.gz ZFRWCHNKHGKXSV-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008838300 553165006 /nfs/dbraw/zinc/16/50/06/553165006.db2.gz XWBMNQNOULYUSV-ZHHPLPSFSA-N -1 0 514.416 5.639 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccccc2F)cc1 ZINC000008857934 553168502 /nfs/dbraw/zinc/16/85/02/553168502.db2.gz VHCAGTHZXWJGRN-NRFANRHFSA-N -1 0 524.570 5.339 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008898764 553180413 /nfs/dbraw/zinc/18/04/13/553180413.db2.gz ZTILVJQIJIKHJB-QFIPXVFZSA-N -1 0 518.547 5.166 50 30 KKEARM O=c1c(N=Nc2ccccc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000008916079 553186567 /nfs/dbraw/zinc/18/65/67/553186567.db2.gz FDFAUWOVHVILMC-SLMZUGIISA-N -1 0 502.397 5.792 50 30 KKEARM O=C([O-])c1ccc(/N=C2/C=CC3=N[C@]45CCCC[C@@H]4[C@@H](c4ccccc4)C=C(c4ccccc4)N5C3=C2)cc1 ZINC000008926119 553191061 /nfs/dbraw/zinc/19/10/61/553191061.db2.gz JWJQKUXXLPEPJD-ODKCFAMQSA-N -1 0 511.625 7.393 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008973790 553195497 /nfs/dbraw/zinc/19/54/97/553195497.db2.gz ONCLJUSJTICOIZ-DEOSSOPVSA-N -1 0 518.566 6.016 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009007608 553198093 /nfs/dbraw/zinc/19/80/93/553198093.db2.gz VOXLSTWCAFWPMI-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009046048 553203568 /nfs/dbraw/zinc/20/35/68/553203568.db2.gz YMZZXLVYBKPAKQ-JOCHJYFZSA-N -1 0 508.958 6.270 50 30 KKEARM CC(=Nc1cccc(F)c1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000009065133 553205770 /nfs/dbraw/zinc/20/57/70/553205770.db2.gz KJBNUGPQHARUFZ-RWPZCVJISA-N -1 0 509.031 7.413 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000009073705 553207311 /nfs/dbraw/zinc/20/73/11/553207311.db2.gz GQHJIPYBIVURRG-JOCHJYFZSA-N -1 0 504.589 5.714 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009122753 553212164 /nfs/dbraw/zinc/21/21/64/553212164.db2.gz YNSNWNCWBYZRNA-JOCHJYFZSA-N -1 0 508.958 6.270 50 30 KKEARM O=c1c(N=Nc2ccc(Br)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000009136481 553213418 /nfs/dbraw/zinc/21/34/18/553213418.db2.gz OBOUFGRHXZHTCO-SLMZUGIISA-N -1 0 502.397 5.792 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009185004 553217006 /nfs/dbraw/zinc/21/70/06/553217006.db2.gz UCBQZXLOQCZLJD-JOCHJYFZSA-N -1 0 506.605 5.938 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009234110 553224793 /nfs/dbraw/zinc/22/47/93/553224793.db2.gz JTXMYGZLJVJTGN-OAQYLSRUSA-N -1 0 508.577 5.167 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009243381 553226722 /nfs/dbraw/zinc/22/67/22/553226722.db2.gz DNNCPEWEASQIHN-DEOSSOPVSA-N -1 0 510.974 5.853 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009243379 553226789 /nfs/dbraw/zinc/22/67/89/553226789.db2.gz DNNCPEWEASQIHN-XMMPIXPASA-N -1 0 510.974 5.853 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009271475 553231055 /nfs/dbraw/zinc/23/10/55/553231055.db2.gz PIUGQNPRTSIZPS-IBGZPJMESA-N -1 0 511.422 6.212 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009302130 553236442 /nfs/dbraw/zinc/23/64/42/553236442.db2.gz REFBCNZLLMWWFR-QHCPKHFHSA-N -1 0 504.514 5.922 50 30 KKEARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000009311160 553239323 /nfs/dbraw/zinc/23/93/23/553239323.db2.gz AZFQTKCZYHOTNX-XKZIYDEJSA-N -1 0 514.676 5.354 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccnc2)o1 ZINC000009350546 553245347 /nfs/dbraw/zinc/24/53/47/553245347.db2.gz QERJUCWSYMVUBK-LJQANCHMSA-N -1 0 508.556 5.049 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009357535 553246919 /nfs/dbraw/zinc/24/69/19/553246919.db2.gz DBTLCABPVWVVCQ-SHACYNPGSA-N -1 0 516.550 5.550 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009357946 553247286 /nfs/dbraw/zinc/24/72/86/553247286.db2.gz IWUWXJDJEHBDJR-JCQPUDPBSA-N -1 0 504.514 5.681 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(O)cc3)s2)cc1 ZINC000009360029 553248221 /nfs/dbraw/zinc/24/82/21/553248221.db2.gz UPTGRPJUWYYGSR-HXUWFJFHSA-N -1 0 505.577 5.220 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccs3)ccc2O1 ZINC000009403675 553255416 /nfs/dbraw/zinc/25/54/16/553255416.db2.gz LIGUEBHFSASPQI-XUSGNXJCSA-N -1 0 509.008 6.118 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000009411327 553257434 /nfs/dbraw/zinc/25/74/34/553257434.db2.gz OJNCTQANHCNNIA-HXUWFJFHSA-N -1 0 504.593 5.218 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009424921 553259124 /nfs/dbraw/zinc/25/91/24/553259124.db2.gz ARDDOWVZCSVPSO-XMMPIXPASA-N -1 0 515.566 5.656 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccs2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000009471261 553269711 /nfs/dbraw/zinc/26/97/11/553269711.db2.gz WAWQAUIJEUSICR-FQEVSTJZSA-N -1 0 510.980 5.565 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000009482615 553272668 /nfs/dbraw/zinc/27/26/68/553272668.db2.gz VYDPQLBRJPHVJV-BGOLNKOXSA-N -1 0 528.580 5.908 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccs2)s1 ZINC000009540741 553277712 /nfs/dbraw/zinc/27/77/12/553277712.db2.gz NUFILCIFHNUTKG-JOCHJYFZSA-N -1 0 503.605 5.578 50 30 KKEARM Cc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000009680355 553296567 /nfs/dbraw/zinc/29/65/67/553296567.db2.gz AKQIDPHIYGINIJ-OCSSWDANSA-N -1 0 503.668 6.546 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000012411378 553363390 /nfs/dbraw/zinc/36/33/90/553363390.db2.gz FANTWRKFOPMDJF-FYSMJZIKSA-N -1 0 526.611 5.321 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000013552686 553470895 /nfs/dbraw/zinc/47/08/95/553470895.db2.gz DGWKTSPIAJMVLV-NRFANRHFSA-N -1 0 504.589 5.490 50 30 KKEARM COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C ZINC000013881622 553493977 /nfs/dbraw/zinc/49/39/77/553493977.db2.gz NQBMMDHCYHDJEI-BVRLNOCPSA-N -1 0 500.620 6.629 50 30 KKEARM COc1ccc(/N=C2/NC(=O)/C(=C\c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)S2)cc1 ZINC000015229941 553529887 /nfs/dbraw/zinc/52/98/87/553529887.db2.gz PQCJXFIUWCCCHT-WGOQTCKBSA-N -1 0 510.571 6.017 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000016730280 553576452 /nfs/dbraw/zinc/57/64/52/553576452.db2.gz QFLPQSWKAXIIMG-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccccc2F)nc1C ZINC000016730395 553576574 /nfs/dbraw/zinc/57/65/74/553576574.db2.gz ALOOPPQKFMMITO-HXUWFJFHSA-N -1 0 510.518 5.164 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000016732180 553577562 /nfs/dbraw/zinc/57/75/62/553577562.db2.gz CNRIAVNUAFDKNO-IBGZPJMESA-N -1 0 517.390 5.752 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018156113 553606618 /nfs/dbraw/zinc/60/66/18/553606618.db2.gz GFXKHJZEWASCCL-QJWGWKRISA-N -1 0 544.579 5.608 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)ccc1Cl ZINC000018173491 553607166 /nfs/dbraw/zinc/60/71/66/553607166.db2.gz WDFIXNYZKJRFNL-OLCXPRTASA-N -1 0 507.011 7.235 50 30 KKEARM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000018176589 553607178 /nfs/dbraw/zinc/60/71/78/553607178.db2.gz RVQGPYWMGTXOPQ-VXNXHJTFSA-N -1 0 504.011 5.512 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198760 553609657 /nfs/dbraw/zinc/60/96/57/553609657.db2.gz QACWRDZMSWBERK-NSYGIPOTSA-N -1 0 516.022 6.552 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198759 553609662 /nfs/dbraw/zinc/60/96/62/553609662.db2.gz QACWRDZMSWBERK-SSOJOUAXSA-N -1 0 516.022 6.552 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(C)c(C)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198858 553610089 /nfs/dbraw/zinc/61/00/89/553610089.db2.gz BOAKKWDAJKJNKP-CCLHPLFOSA-N -1 0 509.631 6.515 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)c2c1 ZINC000070692303 553610797 /nfs/dbraw/zinc/61/07/97/553610797.db2.gz DWMYNKHBZJVIJZ-FNKJQNGOSA-N -1 0 604.744 5.757 50 30 biogenic KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6ccccc6)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070697630 553612954 /nfs/dbraw/zinc/61/29/54/553612954.db2.gz CHMTXOPXGPSBSU-AEDHTEOPSA-N -1 0 542.804 8.991 50 30 biogenic KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CO/N=C3\C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]34)c2c1 ZINC000070699193 553615880 /nfs/dbraw/zinc/61/58/80/553615880.db2.gz OAYWHZMJOWQING-AAHLXTKGSA-N -1 0 589.733 5.396 50 30 KKEARM CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000019890663 553629799 /nfs/dbraw/zinc/62/97/99/553629799.db2.gz MQPVUFTYFRLKQA-UHFFFAOYSA-N -1 0 509.643 5.644 50 30 KKEARM CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(OC)c(OC)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000072189137 553645670 /nfs/dbraw/zinc/64/56/70/553645670.db2.gz IPCJTAUIHNCYMX-COOREUGTSA-N -1 0 597.712 6.315 50 30 KKEARM COc1ccc(N2C(=O)[C@@]([N-]c3nc4ccccc4s3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000020069749 553676012 /nfs/dbraw/zinc/67/60/12/553676012.db2.gz FMVXFNJHEVGANV-XMMPIXPASA-N -1 0 501.530 5.708 50 30 KKEARM CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000095201995 553700719 /nfs/dbraw/zinc/70/07/19/553700719.db2.gz LQCAPZFOMOXRHZ-CMJOXMDJSA-N -1 0 512.584 5.074 50 30 KKEARM C=C(CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-] ZINC000095681678 553707607 /nfs/dbraw/zinc/70/76/07/553707607.db2.gz OHNVFWYDJQNNQO-UHFFFAOYSA-N -1 0 548.145 5.527 50 30 KKEARM CCOC(=O)[C@@](O)(c1ccc([N-]C(NC(=O)c2ccccc2OCC)(C(F)(F)F)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000095725692 553710611 /nfs/dbraw/zinc/71/06/11/553710611.db2.gz KPBHWSLEACNTPG-FQEVSTJZSA-N -1 0 606.438 5.070 50 30 KKEARM COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095742549 553711800 /nfs/dbraw/zinc/71/18/00/553711800.db2.gz WFGZEZSLALWSMP-UHFFFAOYSA-N -1 0 593.445 7.184 50 30 KKEARM C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114602 553725436 /nfs/dbraw/zinc/72/54/36/553725436.db2.gz IJSMTWMIPNTWQJ-GOSISDBHSA-N -1 0 500.503 5.276 50 30 biogenic KKEARM CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(OC)cc1 ZINC000096502471 553755106 /nfs/dbraw/zinc/75/51/06/553755106.db2.gz FSAYUYVTTKBBHC-JLYGMLMHSA-N -1 0 502.592 5.986 50 30 KKEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000096941859 553758189 /nfs/dbraw/zinc/75/81/89/553758189.db2.gz LVDGGZAZAYHXEY-UHFFFAOYSA-N -1 0 664.099 7.622 50 30 KKEARM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(C45CC6CC(CC(C6)C4)C5)cc([N+](=O)[O-])c3[O-])sc2C1 ZINC000022842780 553759061 /nfs/dbraw/zinc/75/90/61/553759061.db2.gz FHZFDFZNORRISP-BHEUJBCLSA-N -1 0 517.695 7.603 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097939532 553759723 /nfs/dbraw/zinc/75/97/23/553759723.db2.gz JOWUBPYLGSVTKA-GDLZYMKVSA-N -1 0 598.677 7.412 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939649 553759985 /nfs/dbraw/zinc/75/99/85/553759985.db2.gz XZRLNDZJAIVZRH-CLYVBNDRSA-N -1 0 576.627 5.354 50 30 KKEARM CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000097939675 553760248 /nfs/dbraw/zinc/76/02/48/553760248.db2.gz XKQRPVFREGTMQU-IQMFZBJNSA-N -1 0 544.651 5.028 50 30 KKEARM CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939692 553760542 /nfs/dbraw/zinc/76/05/42/553760542.db2.gz MEJWMKDYRGRMQG-UPCLLVRISA-N -1 0 558.678 5.419 50 30 KKEARM O=C([N-]CC1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097948839 553797118 /nfs/dbraw/zinc/79/71/18/553797118.db2.gz ZNJLWTHOLNQUSR-UHFFFAOYSA-N -1 0 606.248 5.278 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000097950609 553805039 /nfs/dbraw/zinc/80/50/39/553805039.db2.gz MPOWTFWMINMSNX-UHFFFAOYSA-N -1 0 721.404 11.892 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000097951686 553810563 /nfs/dbraw/zinc/81/05/63/553810563.db2.gz RNWAFVXLEFPUEV-JOCHJYFZSA-N -1 0 540.797 6.062 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000097952235 553814061 /nfs/dbraw/zinc/81/40/61/553814061.db2.gz JDNKZCCRVKGQNO-DEOSSOPVSA-N -1 0 542.573 5.425 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000097952259 553814443 /nfs/dbraw/zinc/81/44/43/553814443.db2.gz JTKNYDNZVMQKOP-QHCPKHFHSA-N -1 0 533.005 6.082 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097952534 553816261 /nfs/dbraw/zinc/81/62/61/553816261.db2.gz BOYMKYVYCJJHEU-HSZRJFAPSA-N -1 0 531.546 5.313 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097952991 553818443 /nfs/dbraw/zinc/81/84/43/553818443.db2.gz XKAMXTAFKOLHOE-HSZRJFAPSA-N -1 0 534.977 5.512 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097954026 553820695 /nfs/dbraw/zinc/82/06/95/553820695.db2.gz LJAAGQWKYKXPHW-HSZRJFAPSA-N -1 0 534.977 5.512 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955061 553827880 /nfs/dbraw/zinc/82/78/80/553827880.db2.gz COHFWDCMQFYUEK-NPMABZOXSA-N -1 0 537.424 6.709 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955077 553828258 /nfs/dbraw/zinc/82/82/58/553828258.db2.gz JPMNYKVBWSIGRX-AREMUKBSSA-N -1 0 622.696 5.760 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)nc1C ZINC000097955108 553828723 /nfs/dbraw/zinc/82/87/23/553828723.db2.gz STGDNZMIQFUGIG-MHZLTWQESA-N -1 0 636.723 6.006 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCc1ccccc1 ZINC000097955215 553829815 /nfs/dbraw/zinc/82/98/15/553829815.db2.gz VQDGUISJXRILPG-PMERELPUSA-N -1 0 641.101 7.091 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000097955289 553830472 /nfs/dbraw/zinc/83/04/72/553830472.db2.gz HZXOHJQHQPGFTD-XMMPIXPASA-N -1 0 623.481 5.944 50 30 KKEARM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027527729 553830905 /nfs/dbraw/zinc/83/09/05/553830905.db2.gz OEWLKHQDFSOBIA-OAQYLSRUSA-N -1 0 509.312 5.149 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955637 553831987 /nfs/dbraw/zinc/83/19/87/553831987.db2.gz MFISSRQSOXHHDR-JCQPUDPBSA-N -1 0 520.969 6.195 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000097955780 553833775 /nfs/dbraw/zinc/83/37/75/553833775.db2.gz PCOKUXMMQZWNFL-HHHXNRCGSA-N -1 0 591.085 7.073 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097955835 553834279 /nfs/dbraw/zinc/83/42/79/553834279.db2.gz JTRKYSNNLOICRC-RUZDIDTESA-N -1 0 526.570 5.276 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000097955869 553834617 /nfs/dbraw/zinc/83/46/17/553834617.db2.gz LJMBYFDSUQGAHY-AREMUKBSSA-N -1 0 542.613 5.831 50 30 KKEARM CCCCCCCCCCCCNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O ZINC000097955857 553834739 /nfs/dbraw/zinc/83/47/39/553834739.db2.gz XWCJFWNBEGEPIJ-UHFFFAOYSA-N -1 0 530.301 6.409 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097956798 553841752 /nfs/dbraw/zinc/84/17/52/553841752.db2.gz WWIGXJAPRKMINB-QFIPXVFZSA-N -1 0 536.606 5.127 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@@H]2c2ccccc2F)nc1C ZINC000097956876 553842975 /nfs/dbraw/zinc/84/29/75/553842975.db2.gz XXRRWHOGRMJNRN-QHCPKHFHSA-N -1 0 548.592 5.590 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000097956885 553843061 /nfs/dbraw/zinc/84/30/61/553843061.db2.gz VAPMJTSSWBEJHV-RUZDIDTESA-N -1 0 574.655 5.849 50 30 KKEARM O=C([O-])c1cccc(COc2ccc(/C=C3/S/C(=N\c4cccc(Cl)c4Cl)NC3=O)cc2Cl)c1 ZINC000097960443 553871685 /nfs/dbraw/zinc/87/16/85/553871685.db2.gz ZOQWKDLBMJPGQL-RGVLZGJSSA-N -1 0 533.820 6.816 50 30 KKEARM O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc(Br)c([O-])c(Br)c1)C1c3ccccc3C2c2ccccc21 ZINC000097962806 553885690 /nfs/dbraw/zinc/88/56/90/553885690.db2.gz WUZBZQYBOVCGEX-JEENWQEUSA-N -1 0 552.222 5.143 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097966798 553910366 /nfs/dbraw/zinc/91/03/66/553910366.db2.gz UJVNWNJBYJXVKH-LJAQVGFWSA-N -1 0 640.714 6.482 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097966861 553911269 /nfs/dbraw/zinc/91/12/69/553911269.db2.gz MUGGXVRZRCLBQV-NDENLUEZSA-N -1 0 563.477 6.484 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000097967124 553913890 /nfs/dbraw/zinc/91/38/90/553913890.db2.gz YWQMOZFSVSXJKR-RGVLZGJSSA-N -1 0 549.450 6.175 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000097967243 553915694 /nfs/dbraw/zinc/91/56/94/553915694.db2.gz NKPWOKYVJKSXCO-MUUNZHRXSA-N -1 0 628.703 6.316 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967265 553916253 /nfs/dbraw/zinc/91/62/53/553916253.db2.gz UCUBHESGQFBZIC-WGDIFIGCSA-N -1 0 620.152 6.989 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967307 553916834 /nfs/dbraw/zinc/91/68/34/553916834.db2.gz DZENTNQWFCVRFB-JPQMRUPTSA-N -1 0 661.805 7.824 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967360 553917741 /nfs/dbraw/zinc/91/77/41/553917741.db2.gz RXSXRMPGJGOMKV-XDBZFTIUSA-N -1 0 664.205 7.388 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097967380 553917757 /nfs/dbraw/zinc/91/77/57/553917757.db2.gz WLCAPYHJBBGDRB-PVAZPRTOSA-N -1 0 677.848 8.659 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967406 553918060 /nfs/dbraw/zinc/91/80/60/553918060.db2.gz VOPICFILUMBCOV-XIFFEERXSA-N -1 0 672.759 8.257 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097967435 553918582 /nfs/dbraw/zinc/91/85/82/553918582.db2.gz MZRQUZTYOOVBHV-DLUDVSRJSA-N -1 0 637.508 6.278 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967505 553919288 /nfs/dbraw/zinc/91/92/88/553919288.db2.gz NBCMWMRHEFYBPT-GRMGDBHTSA-N -1 0 707.874 8.668 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967529 553919660 /nfs/dbraw/zinc/91/96/60/553919660.db2.gz ZPMIYTGVFDGHRW-DAOPMYJZSA-N -1 0 627.900 6.533 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967631 553920959 /nfs/dbraw/zinc/92/09/59/553920959.db2.gz GZUVFJHDXVOIRK-RCRUUEGKSA-N -1 0 641.815 7.814 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967630 553921160 /nfs/dbraw/zinc/92/11/60/553921160.db2.gz GZUVFJHDXVOIRK-YKGWIAGDSA-N -1 0 641.815 7.814 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033332294 553921146 /nfs/dbraw/zinc/92/11/46/553921146.db2.gz XQSRTGXRBMVFND-BKUYFWCQSA-N -1 0 500.649 5.886 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967703 553921877 /nfs/dbraw/zinc/92/18/77/553921877.db2.gz AUDIOSAGIXFCJF-BGOLNKOXSA-N -1 0 706.286 8.558 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000097967717 553922239 /nfs/dbraw/zinc/92/22/39/553922239.db2.gz IVAWWMRPLKQKHB-CRYYWNKWSA-N -1 0 569.639 5.540 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCCC(C)C ZINC000097967835 553923931 /nfs/dbraw/zinc/92/39/31/553923931.db2.gz IWDPMZWJTHNKIO-SSEXGKCCSA-N -1 0 742.703 8.515 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097967884 553924438 /nfs/dbraw/zinc/92/44/38/553924438.db2.gz BDZGZRFQZVAHME-MYYSRTQBSA-N -1 0 594.089 6.729 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968002 553926116 /nfs/dbraw/zinc/92/61/16/553926116.db2.gz HIGVSZHLKTWPSO-BSEYFRJRSA-N -1 0 628.534 7.383 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968076 553927373 /nfs/dbraw/zinc/92/73/73/553927373.db2.gz SITBMWRFEJMDPY-RUZDIDTESA-N -1 0 587.679 5.783 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968103 553927513 /nfs/dbraw/zinc/92/75/13/553927513.db2.gz WAJXKSFJEWWWOT-MUUNZHRXSA-N -1 0 664.205 7.463 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968074 553927556 /nfs/dbraw/zinc/92/75/56/553927556.db2.gz SFGQTMNXTYLUAO-AREMUKBSSA-N -1 0 592.670 5.786 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968118 553927971 /nfs/dbraw/zinc/92/79/71/553927971.db2.gz MYOHFPASENMQJH-MHZLTWQESA-N -1 0 650.178 7.217 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097968117 553928006 /nfs/dbraw/zinc/92/80/06/553928006.db2.gz MYOHFPASENMQJH-HHHXNRCGSA-N -1 0 650.178 7.217 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097968142 553928310 /nfs/dbraw/zinc/92/83/10/553928310.db2.gz QXALVKORBUJUGA-MUUNZHRXSA-N -1 0 623.712 6.546 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968177 553928838 /nfs/dbraw/zinc/92/88/38/553928838.db2.gz PALBKIODDRLUFE-LJAQVGFWSA-N -1 0 677.776 7.101 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968234 553929632 /nfs/dbraw/zinc/92/96/32/553929632.db2.gz HXTMSVDTAFEYJU-XMMPIXPASA-N -1 0 636.107 5.825 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968271 553930127 /nfs/dbraw/zinc/93/01/27/553930127.db2.gz LUJQUHUGPPPRSK-SSEXGKCCSA-N -1 0 691.803 7.491 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968324 553930703 /nfs/dbraw/zinc/93/07/03/553930703.db2.gz STUACRWXCGLULW-GDJIYFAZSA-N -1 0 634.751 6.702 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097968350 553930826 /nfs/dbraw/zinc/93/08/26/553930826.db2.gz PODIDMXCKUYDRJ-DEOSSOPVSA-N -1 0 619.652 5.310 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968355 553931155 /nfs/dbraw/zinc/93/11/55/553931155.db2.gz CXBQUBBSCRVODO-AREMUKBSSA-N -1 0 620.152 7.161 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1 ZINC000033354871 553931966 /nfs/dbraw/zinc/93/19/66/553931966.db2.gz OFPSPPPCWWWDFA-QFIPXVFZSA-N -1 0 540.797 5.980 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000033355648 553935804 /nfs/dbraw/zinc/93/58/04/553935804.db2.gz GMCUHKJVWDYORJ-WXTAPIANSA-N -1 0 546.601 5.476 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969236 553938343 /nfs/dbraw/zinc/93/83/43/553938343.db2.gz DQYIJPVUNOQTFJ-PUAOIOHZSA-N -1 0 634.135 6.377 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000097969302 553939165 /nfs/dbraw/zinc/93/91/65/553939165.db2.gz ZBWYUCRNHVOJPS-NSYGIPOTSA-N -1 0 573.671 6.384 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969333 553939656 /nfs/dbraw/zinc/93/96/56/553939656.db2.gz DURRCBRGTBIONN-LFPIHBKWSA-N -1 0 577.456 6.174 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000097969497 553941560 /nfs/dbraw/zinc/94/15/60/553941560.db2.gz WDSBAXTZOSRDIM-AREMUKBSSA-N -1 0 637.541 7.605 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097969578 553942616 /nfs/dbraw/zinc/94/26/16/553942616.db2.gz VSJXUWWXBUDXBC-UPCLLVRISA-N -1 0 559.644 6.076 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000097969650 553943328 /nfs/dbraw/zinc/94/33/28/553943328.db2.gz VLCALTNROZAOOJ-LMKMVOKYSA-N -1 0 606.125 6.599 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969783 553944880 /nfs/dbraw/zinc/94/48/80/553944880.db2.gz MURYTZLSDOZNHE-FLASPHMUSA-N -1 0 677.848 8.515 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969812 553945558 /nfs/dbraw/zinc/94/55/58/553945558.db2.gz JONNWPWVOCBTFL-BZQUYTCOSA-N -1 0 591.483 6.564 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000097969868 553945984 /nfs/dbraw/zinc/94/59/84/553945984.db2.gz AAQJLPQMKWAFSB-HSZRJFAPSA-N -1 0 565.445 6.167 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097969874 553946586 /nfs/dbraw/zinc/94/65/86/553946586.db2.gz KXDXKEJYRGLENW-MRDQGFSESA-N -1 0 606.697 5.922 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097969911 553946886 /nfs/dbraw/zinc/94/68/86/553946886.db2.gz FGZQKCDTOTUZRF-ROTAYESASA-N -1 0 665.768 7.655 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969948 553947242 /nfs/dbraw/zinc/94/72/42/553947242.db2.gz JAGFUGMDQSLALB-JGCGQSQUSA-N -1 0 650.709 6.837 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969943 553947309 /nfs/dbraw/zinc/94/73/09/553947309.db2.gz GJLYXBKYSWQUFO-XHCCPWGMSA-N -1 0 599.734 6.726 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970010 553948105 /nfs/dbraw/zinc/94/81/05/553948105.db2.gz XCXVNGFHBWUOPR-JRPXNJEYSA-N -1 0 655.798 7.209 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970032 553948697 /nfs/dbraw/zinc/94/86/97/553948697.db2.gz CQFNRBHTFXLVBR-XBBWARJSSA-N -1 0 621.740 7.099 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970068 553948939 /nfs/dbraw/zinc/94/89/39/553948939.db2.gz AUIKROCVVBFSSI-SANMLTNESA-N -1 0 604.681 5.773 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000097970133 553949919 /nfs/dbraw/zinc/94/99/19/553949919.db2.gz HPSYUKJYSZXWJD-QHCPKHFHSA-N -1 0 625.453 5.336 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970178 553950369 /nfs/dbraw/zinc/95/03/69/553950369.db2.gz KVDBZCQTBICYFG-RUZDIDTESA-N -1 0 592.670 5.607 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097970161 553950401 /nfs/dbraw/zinc/95/04/01/553950401.db2.gz VKGAEKLAXDFNPT-BGOLNKOXSA-N -1 0 689.831 7.899 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097970164 553950458 /nfs/dbraw/zinc/95/04/58/553950458.db2.gz YISZKSHSNAKION-ADXZGYQBSA-N -1 0 661.777 7.263 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097970226 553951162 /nfs/dbraw/zinc/95/11/62/553951162.db2.gz KUJPFCDOETZZLO-PBBNMVCDSA-N -1 0 627.788 7.362 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970300 553952061 /nfs/dbraw/zinc/95/20/61/553952061.db2.gz SLPZXFOCVZWNEF-WRONEBCDSA-N -1 0 645.778 7.501 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970420 553953770 /nfs/dbraw/zinc/95/37/70/553953770.db2.gz XUDSBENVHAIAHX-MCMMXHMISA-N -1 0 641.496 5.377 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000097970431 553954102 /nfs/dbraw/zinc/95/41/02/553954102.db2.gz HWJRXJRFVWQPMP-YEBMWUKDSA-N -1 0 567.450 6.718 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000097970441 553954149 /nfs/dbraw/zinc/95/41/49/553954149.db2.gz IOAKEVYSVCTVOI-PEBXRYMYSA-N -1 0 551.020 5.554 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970485 553954707 /nfs/dbraw/zinc/95/47/07/553954707.db2.gz VVDLXOGUDOGWEI-JCOAXYOVSA-N -1 0 647.778 7.655 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970540 553955401 /nfs/dbraw/zinc/95/54/01/553955401.db2.gz NEXGSQATWVFRKW-WRONEBCDSA-N -1 0 643.787 7.043 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000097970633 553956710 /nfs/dbraw/zinc/95/67/10/553956710.db2.gz VXGNNTJHKOGTDX-LDLUVENISA-N -1 0 619.139 7.634 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000034169085 553980834 /nfs/dbraw/zinc/98/08/34/553980834.db2.gz FTQDJVZNPJRVPG-OKBJUZTJSA-N -1 0 512.731 6.983 50 30 biogenic,in-vitro KKEARM CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(I)cc(I)c4[O-])cc3)nc2c1 ZINC000097997049 554039565 /nfs/dbraw/zinc/03/95/65/554039565.db2.gz UQCVJYFLIUYZSZ-UVHMKAGCSA-N -1 0 622.244 7.458 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000097997706 554040286 /nfs/dbraw/zinc/04/02/86/554040286.db2.gz URJIVXGBOAJMDC-QLTSDVKISA-N -1 0 530.009 5.894 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2F)C1=C([O-])c1ccc(Br)cc1 ZINC000098045379 554131321 /nfs/dbraw/zinc/13/13/21/554131321.db2.gz BFQWJVIEEVHIMC-HXUWFJFHSA-N -1 0 531.175 6.134 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000098045757 554133840 /nfs/dbraw/zinc/13/38/40/554133840.db2.gz RRGLLGLETJXUMJ-RUZDIDTESA-N -1 0 633.520 6.671 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2ccccc2F)nc1C ZINC000098046327 554138002 /nfs/dbraw/zinc/13/80/02/554138002.db2.gz WKRRQPASHAIKMB-QHCPKHFHSA-N -1 0 550.608 5.814 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000098046371 554138374 /nfs/dbraw/zinc/13/83/74/554138374.db2.gz WSUMDVRJUVQGFM-FQEVSTJZSA-N -1 0 557.422 5.217 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046440 554138903 /nfs/dbraw/zinc/13/89/03/554138903.db2.gz VRLKEJUDBJXTGW-RUZDIDTESA-N -1 0 592.142 7.446 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046449 554138967 /nfs/dbraw/zinc/13/89/67/554138967.db2.gz RWADBTBLJYDAJW-MHZLTWQESA-N -1 0 617.749 6.809 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098046451 554138975 /nfs/dbraw/zinc/13/89/75/554138975.db2.gz YPGXVEDZKGBQSS-MHZLTWQESA-N -1 0 652.194 7.463 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098046475 554139396 /nfs/dbraw/zinc/13/93/96/554139396.db2.gz AZBSIPDIWKMWHD-MHZLTWQESA-N -1 0 665.765 6.957 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000098046464 554139463 /nfs/dbraw/zinc/13/94/63/554139463.db2.gz UDWFTYBFHIJQSP-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccccc2F)cc1 ZINC000098046467 554139499 /nfs/dbraw/zinc/13/94/99/554139499.db2.gz IZBHNXDZMVVQEM-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046509 554139740 /nfs/dbraw/zinc/13/97/40/554139740.db2.gz ANMMKYXBHXLOOS-VWLOTQADSA-N -1 0 626.131 7.203 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098046500 554139793 /nfs/dbraw/zinc/13/97/93/554139793.db2.gz QETLVDXQCGNAFE-JOCHJYFZSA-N -1 0 613.048 6.323 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098046494 554139971 /nfs/dbraw/zinc/13/99/71/554139971.db2.gz KOLUCLXLEYYJQL-MUUNZHRXSA-N -1 0 625.703 7.553 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)o1 ZINC000098046537 554140285 /nfs/dbraw/zinc/14/02/85/554140285.db2.gz VIUOAMYZWNSOLV-JOCHJYFZSA-N -1 0 564.044 6.914 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098046519 554140292 /nfs/dbraw/zinc/14/02/92/554140292.db2.gz WYUSOUTZSYHQBY-MHZLTWQESA-N -1 0 641.702 6.701 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccncc2)cc1 ZINC000098046846 554144107 /nfs/dbraw/zinc/14/41/07/554144107.db2.gz RLOJSPMVQAEEHP-OAQYLSRUSA-N -1 0 551.049 5.670 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000098047233 554147976 /nfs/dbraw/zinc/14/79/76/554147976.db2.gz VUYVAEYFDBSXIL-MUUNZHRXSA-N -1 0 627.719 7.318 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000098047270 554148840 /nfs/dbraw/zinc/14/88/40/554148840.db2.gz JNZQDXOVHBAGKG-SANMLTNESA-N -1 0 662.562 7.677 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047317 554149136 /nfs/dbraw/zinc/14/91/36/554149136.db2.gz WKXVGKJEOIKHNI-MUUNZHRXSA-N -1 0 660.148 8.207 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000098047334 554149609 /nfs/dbraw/zinc/14/96/09/554149609.db2.gz LPPNHSXCTDHGLS-HHHXNRCGSA-N -1 0 619.740 7.330 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047360 554150054 /nfs/dbraw/zinc/15/00/54/554150054.db2.gz NANVQFOWFRIHGS-RUZDIDTESA-N -1 0 626.587 8.099 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098047400 554150552 /nfs/dbraw/zinc/15/05/52/554150552.db2.gz JYFMNUMBSMNCDX-SSEXGKCCSA-N -1 0 678.276 9.015 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047470 554151428 /nfs/dbraw/zinc/15/14/28/554151428.db2.gz UKKFSEMTVDOQRE-JGCGQSQUSA-N -1 0 663.821 8.371 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047458 554151499 /nfs/dbraw/zinc/15/14/99/554151499.db2.gz GKQDXKKZQAVGFU-MUUNZHRXSA-N -1 0 627.694 7.992 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000098047493 554151727 /nfs/dbraw/zinc/15/17/27/554151727.db2.gz VKQWAFYUEOPINN-MUUNZHRXSA-N -1 0 649.766 7.339 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047515 554152227 /nfs/dbraw/zinc/15/22/27/554152227.db2.gz HDLGPGIEEOEBRT-JGCGQSQUSA-N -1 0 687.884 8.678 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047510 554152241 /nfs/dbraw/zinc/15/22/41/554152241.db2.gz XRZGQHXLAUBECL-SANMLTNESA-N -1 0 650.178 7.232 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000098047559 554152662 /nfs/dbraw/zinc/15/26/62/554152662.db2.gz JAWOLFPVCYJWOW-MGBGTMOVSA-N -1 0 701.911 9.068 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047552 554152730 /nfs/dbraw/zinc/15/27/30/554152730.db2.gz MZTQKQQZAQQZRY-DEOSSOPVSA-N -1 0 593.658 6.134 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047591 554152911 /nfs/dbraw/zinc/15/29/11/554152911.db2.gz LGTOVGOCXKAFIY-WJOKGBTCSA-N -1 0 678.848 8.194 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000098047583 554152978 /nfs/dbraw/zinc/15/29/78/554152978.db2.gz QACPYMUDLLVQHL-JGCGQSQUSA-N -1 0 722.329 9.413 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047625 554153453 /nfs/dbraw/zinc/15/34/53/554153453.db2.gz OASKTQSFNBINBR-HHHXNRCGSA-N -1 0 635.739 6.949 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098047631 554153998 /nfs/dbraw/zinc/15/39/98/554153998.db2.gz VMUWOROQKPFMRS-RUZDIDTESA-N -1 0 620.684 6.840 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000098047680 554154430 /nfs/dbraw/zinc/15/44/30/554154430.db2.gz YFZFTJKTDWPEPZ-YTTGMZPUSA-N -1 0 687.884 8.760 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047682 554154444 /nfs/dbraw/zinc/15/44/44/554154444.db2.gz OXABTBKSVYBTEB-VWLOTQADSA-N -1 0 626.587 8.099 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(C)o2)cc1F ZINC000098047717 554154853 /nfs/dbraw/zinc/15/48/53/554154853.db2.gz PXGHBJUDCRVUJI-RUZDIDTESA-N -1 0 587.654 6.816 50 30 KKEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098047725 554154923 /nfs/dbraw/zinc/15/49/23/554154923.db2.gz PMFARINWCWNTSP-HHHXNRCGSA-N -1 0 613.692 6.923 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccccc2F)cc1F ZINC000098047745 554155389 /nfs/dbraw/zinc/15/53/89/554155389.db2.gz MESZTILEZWORPK-AREMUKBSSA-N -1 0 601.656 7.053 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000098047778 554155878 /nfs/dbraw/zinc/15/58/78/554155878.db2.gz HNYMYQXKHCROLR-MHZLTWQESA-N -1 0 630.147 7.437 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098047895 554157386 /nfs/dbraw/zinc/15/73/86/554157386.db2.gz UOSKJOPCINLQMN-HHHXNRCGSA-N -1 0 625.659 6.373 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccnc2)cc1F ZINC000098047919 554157686 /nfs/dbraw/zinc/15/76/86/554157686.db2.gz BMWNNZGJURYUGW-RUZDIDTESA-N -1 0 568.655 6.609 50 30 KKEARM CCCCCCCCCCCCCCCCCC[N-]C(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000098048296 554161002 /nfs/dbraw/zinc/16/10/02/554161002.db2.gz XXUGORHIFXJEKB-FQEVSTJZSA-N -1 0 581.551 9.399 50 30 KKEARM CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3o2)cc1 ZINC000098086885 554176580 /nfs/dbraw/zinc/17/65/80/554176580.db2.gz SMTOXPXMFJMHCD-BRJLIKDPSA-N -1 0 500.190 7.038 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C(=O)c5ccccc5)cc4)c3=O)n2)cc1 ZINC000100005790 554178013 /nfs/dbraw/zinc/17/80/13/554178013.db2.gz SACSDTVRNMSLIW-MJPNWULPSA-N -1 0 586.633 6.477 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])cc(Br)c3[O-])nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100028057 554183835 /nfs/dbraw/zinc/18/38/35/554183835.db2.gz GTJDBACCLOVSHS-BRJLIKDPSA-N -1 0 596.358 5.098 50 30 KKEARM O=C([O-])c1ccccc1N=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000100033900 554187661 /nfs/dbraw/zinc/18/76/61/554187661.db2.gz RICKCGHIXFSARC-FXBRXIHHSA-N -1 0 543.535 5.246 50 30 KKEARM CC1(C)CC(=O)C(C(c2cc(Br)c([O-])c(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100055998 554196515 /nfs/dbraw/zinc/19/65/15/554196515.db2.gz FRCPARPUBOWRIS-GOSISDBHSA-N -1 0 542.264 5.776 50 30 KKEARM Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N=NCc2ccc(Br)cc2)n1 ZINC000100058050 554197331 /nfs/dbraw/zinc/19/73/31/554197331.db2.gz PIANRDKPXSFNNY-VULFUBBASA-N -1 0 524.216 6.487 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)C(=O)[C@H]1C(C)C ZINC000100086773 554209262 /nfs/dbraw/zinc/20/92/62/554209262.db2.gz APZVAVHTQKZAOL-UMSFTDKQSA-N -1 0 612.877 9.962 50 30 KKEARM C=CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)[O-])c4)N=C3C)o2)ccc1Cl ZINC000100147482 554230689 /nfs/dbraw/zinc/23/06/89/554230689.db2.gz OPQOGMOIWDWMHN-AQTBWJFISA-N -1 0 525.344 6.101 50 30 KKEARM N#Cc1ccccc1COC(=O)c1cc(-c2ccc(C=Cc3[n-]n4cnnc4c(=O)c3[N+](=O)[O-])o2)ccc1Cl ZINC000100167805 554237731 /nfs/dbraw/zinc/23/77/31/554237731.db2.gz GCXXGAJAEUNEOE-RMKNXTFCSA-N -1 0 542.895 5.051 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(C(F)(F)F)cc3)S2)cc1 ZINC000100186372 554242963 /nfs/dbraw/zinc/24/29/63/554242963.db2.gz ZTAONCRKONPSSZ-JHCXFHMGSA-N -1 0 527.524 5.564 50 30 KKEARM COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307820 554296345 /nfs/dbraw/zinc/29/63/45/554296345.db2.gz MCXVRROGDUZYPQ-XMWFGAJLSA-N -1 0 568.051 5.258 50 30 KKEARM CCCCCCCCCCCCCCCCOCCCO[P@](=O)([O-])CO[C@H](C)Cn1cnc2c1ncnc2N ZINC000042875215 554296897 /nfs/dbraw/zinc/29/68/97/554296897.db2.gz SCTJKHUUZLXJIP-RUZDIDTESA-N -1 0 569.728 6.861 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Br)cc4)c3=O)n2)cc1 ZINC000100341396 554326018 /nfs/dbraw/zinc/32/60/18/554326018.db2.gz BLHAJHDYTRJENM-BYNJWEBRSA-N -1 0 532.423 5.800 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000053253945 554330352 /nfs/dbraw/zinc/33/03/52/554330352.db2.gz WJGKQJPFFPNBJA-JOCHJYFZSA-N -1 0 578.599 5.183 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053291520 554331987 /nfs/dbraw/zinc/33/19/87/554331987.db2.gz JAVADCPRQIVSAK-QFIPXVFZSA-N -1 0 552.630 5.565 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053306040 554333131 /nfs/dbraw/zinc/33/31/31/554333131.db2.gz WMCIQIAIJPBRHJ-HXUWFJFHSA-N -1 0 561.443 6.035 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306124 554333641 /nfs/dbraw/zinc/33/36/41/554333641.db2.gz JOQZPHZXOWDGNA-JOCHJYFZSA-N -1 0 535.965 6.040 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053307871 554335406 /nfs/dbraw/zinc/33/54/06/554335406.db2.gz KCCBHIWAMRUWIT-JOCHJYFZSA-N -1 0 525.786 5.844 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000053319165 554336147 /nfs/dbraw/zinc/33/61/47/554336147.db2.gz WCIAQGJKICSORI-NRFANRHFSA-N -1 0 539.382 5.989 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000053319156 554336336 /nfs/dbraw/zinc/33/63/36/554336336.db2.gz PZKZYYUYCQBUJR-JOCHJYFZSA-N -1 0 553.865 7.112 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319170 554336374 /nfs/dbraw/zinc/33/63/74/554336374.db2.gz JEEJRBWSDIVTKI-OAQYLSRUSA-N -1 0 521.938 5.649 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000053319191 554336634 /nfs/dbraw/zinc/33/66/34/554336634.db2.gz ORZVNHLWWSGQBV-HSZRJFAPSA-N -1 0 567.019 5.767 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053319253 554336802 /nfs/dbraw/zinc/33/68/02/554336802.db2.gz AITHIMCXEJSIMN-XMMPIXPASA-N -1 0 551.020 6.149 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000053319225 554336833 /nfs/dbraw/zinc/33/68/33/554336833.db2.gz QVQNVIBWAAIUFD-OAQYLSRUSA-N -1 0 523.383 6.289 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc(F)cc1 ZINC000053319321 554337287 /nfs/dbraw/zinc/33/72/87/554337287.db2.gz GDUCWYFSNMPEPK-FQEVSTJZSA-N -1 0 527.346 6.120 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053319395 554337537 /nfs/dbraw/zinc/33/75/37/554337537.db2.gz KMFWGWIOMMNFPI-NRFANRHFSA-N -1 0 529.376 6.534 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4C)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000053319417 554337831 /nfs/dbraw/zinc/33/78/31/554337831.db2.gz UCJDMNGQYMTCJU-DEOSSOPVSA-N -1 0 532.021 6.170 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(Br)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053319497 554338291 /nfs/dbraw/zinc/33/82/91/554338291.db2.gz WYMGBXFWNASJBH-OAQYLSRUSA-N -1 0 584.289 6.913 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000053319450 554338401 /nfs/dbraw/zinc/33/84/01/554338401.db2.gz OLAXROQSGULNRN-OAQYLSRUSA-N -1 0 573.454 6.201 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053331869 554338562 /nfs/dbraw/zinc/33/85/62/554338562.db2.gz PBCWJEKPUDEECZ-IBGZPJMESA-N -1 0 557.422 5.101 50 30 KKEARM COc1ccc(CN2C(=O)C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000100358394 554339141 /nfs/dbraw/zinc/33/91/41/554339141.db2.gz VFMQSWXQYAEXSF-RPHWMWBOSA-N -1 0 523.998 5.207 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCC)c(OC)c3)sc2c1 ZINC000053334028 554339669 /nfs/dbraw/zinc/33/96/69/554339669.db2.gz HAAWHQBQZDKXIF-MHZLTWQESA-N -1 0 588.638 5.656 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053335467 554341171 /nfs/dbraw/zinc/34/11/71/554341171.db2.gz OKVZXFYPVNGTDX-JOCHJYFZSA-N -1 0 549.948 5.412 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000053336920 554341639 /nfs/dbraw/zinc/34/16/39/554341639.db2.gz HFRJFKWGJXPHIU-OAQYLSRUSA-N -1 0 583.460 5.657 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2Cl)no1 ZINC000053337292 554342047 /nfs/dbraw/zinc/34/20/47/554342047.db2.gz VJYIEZPXDWIQCA-FQEVSTJZSA-N -1 0 550.236 6.824 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)c1 ZINC000053337329 554342096 /nfs/dbraw/zinc/34/20/96/554342096.db2.gz ZRAXQZDUBVCINB-MHZLTWQESA-N -1 0 591.085 6.929 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000053337778 554342415 /nfs/dbraw/zinc/34/24/15/554342415.db2.gz RMGZZLLWMXSHGH-DEOSSOPVSA-N -1 0 583.449 6.556 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053338752 554342673 /nfs/dbraw/zinc/34/26/73/554342673.db2.gz MUKGMENDVJIWHM-OAQYLSRUSA-N -1 0 583.460 5.657 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000053338758 554342809 /nfs/dbraw/zinc/34/28/09/554342809.db2.gz MUKGMENDVJIWHM-NRFANRHFSA-N -1 0 583.460 5.657 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N/N=C2\N(CC)c3ccccc3C2(C)C)cc1C(=O)[O-] ZINC000059222144 554385867 /nfs/dbraw/zinc/38/58/67/554385867.db2.gz BLQLUCCWYMQFSF-WASYMBJWSA-N -1 0 655.946 9.435 50 30 KKEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100507708 554408119 /nfs/dbraw/zinc/40/81/19/554408119.db2.gz WSKVRPRFTCXVFE-XAYXJRQQSA-N -1 0 502.943 5.591 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000100507565 554408154 /nfs/dbraw/zinc/40/81/54/554408154.db2.gz ODYZFSATVCVFGX-LFVJCYFKSA-N -1 0 598.118 6.288 50 30 KKEARM Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccccc2)cc1Br ZINC000100507729 554408185 /nfs/dbraw/zinc/40/81/85/554408185.db2.gz BKYWBKZVCKIACC-BYNJWEBRSA-N -1 0 516.424 6.100 50 30 KKEARM [O-]c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1-c1nc2ccccc2o1 ZINC000100539823 554412780 /nfs/dbraw/zinc/41/27/80/554412780.db2.gz ROYLLRNWCLAIQL-FJEPWZHXSA-N -1 0 533.809 7.663 50 30 KKEARM CCCCCCCCCCCCCCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O ZINC000100674939 554443303 /nfs/dbraw/zinc/44/33/03/554443303.db2.gz JXGCLVIDDHVXOH-FVDSYPCUSA-N -1 0 527.750 7.403 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccccc2)cc1 ZINC000100675283 554443307 /nfs/dbraw/zinc/44/33/07/554443307.db2.gz JKRRAKCOZFODSC-XMMPIXPASA-N -1 0 548.661 6.226 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000100674856 554443371 /nfs/dbraw/zinc/44/33/71/554443371.db2.gz GSWPFYGUFUCTIN-DEOSSOPVSA-N -1 0 566.651 6.365 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000100675299 554443599 /nfs/dbraw/zinc/44/35/99/554443599.db2.gz CCDDFJHGEINEFS-SANMLTNESA-N -1 0 592.714 6.625 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100677275 554444236 /nfs/dbraw/zinc/44/42/36/554444236.db2.gz YYHOOJPYSFQXOZ-VWLOTQADSA-N -1 0 578.687 6.379 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100677250 554444279 /nfs/dbraw/zinc/44/42/79/554444279.db2.gz VZBJISYNXUODGK-XMMPIXPASA-N -1 0 582.650 6.046 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100677311 554444744 /nfs/dbraw/zinc/44/47/44/554444744.db2.gz NRJYWDYVPNQINZ-SANMLTNESA-N -1 0 608.713 6.387 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100678918 554445377 /nfs/dbraw/zinc/44/53/77/554445377.db2.gz DGOZZONNNNBVAX-JOCHJYFZSA-N -1 0 552.580 5.042 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100679922 554445695 /nfs/dbraw/zinc/44/56/95/554445695.db2.gz IORQQTLUINFXBR-AREMUKBSSA-N -1 0 592.714 6.769 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000100679916 554445701 /nfs/dbraw/zinc/44/57/01/554445701.db2.gz XBGZXHBSSUTPJL-VWLOTQADSA-N -1 0 594.686 5.997 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)cc2)nc1C ZINC000100680024 554446207 /nfs/dbraw/zinc/44/62/07/554446207.db2.gz SSEGVPCWDHCFGX-SANMLTNESA-N -1 0 588.682 6.321 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000100680309 554446323 /nfs/dbraw/zinc/44/63/23/554446323.db2.gz LJAXNBAQJPPBRF-HSZRJFAPSA-N -1 0 567.063 6.410 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100680383 554446498 /nfs/dbraw/zinc/44/64/98/554446498.db2.gz APGGWDQYHBHVIS-VWLOTQADSA-N -1 0 622.696 5.782 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCC=C)c(OC)c2)nc1C ZINC000100680386 554446537 /nfs/dbraw/zinc/44/65/37/554446537.db2.gz SXRQZGROTVDUCY-MHZLTWQESA-N -1 0 618.708 6.330 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000100680981 554446730 /nfs/dbraw/zinc/44/67/30/554446730.db2.gz CPFBUAZHAKTDQY-QHCPKHFHSA-N -1 0 550.633 5.599 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100680994 554446807 /nfs/dbraw/zinc/44/68/07/554446807.db2.gz QKAMEWXTXKWXST-IBGZPJMESA-N -1 0 559.413 5.621 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000100680393 554446867 /nfs/dbraw/zinc/44/68/67/554446867.db2.gz UCVDXBWRNDVTLI-XMMPIXPASA-N -1 0 562.644 5.765 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000100681107 554447189 /nfs/dbraw/zinc/44/71/89/554447189.db2.gz UTYNMPUDOPFQRZ-MHZLTWQESA-N -1 0 598.677 6.992 50 30 KKEARM CCCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC ZINC000100681075 554447232 /nfs/dbraw/zinc/44/72/32/554447232.db2.gz CNXJNVFZKQZUSS-MUUNZHRXSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCC[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100719390 554455199 /nfs/dbraw/zinc/45/51/99/554455199.db2.gz URGZDZHNZBWSBI-SSDOTTSWSA-N -1 0 511.269 6.446 50 30 KKEARM Cc1ccc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(/N=C/c2cc(Br)ccc2O)c1 ZINC000100722451 554455923 /nfs/dbraw/zinc/45/59/23/554455923.db2.gz SDOUSYDPCPDKSX-LSHDLFTRSA-N -1 0 516.264 5.682 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2 ZINC000100813225 554475471 /nfs/dbraw/zinc/47/54/71/554475471.db2.gz FCDPVNFUBJCFBE-OPEKNORGSA-N -1 0 548.325 7.885 50 30 KKEARM N#Cc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)[n-]c(=O)c2C#N)cc1 ZINC000066088677 554527922 /nfs/dbraw/zinc/52/79/22/554527922.db2.gz KRFPHLQUMYAIJY-UHFFFAOYSA-N -1 0 507.475 6.763 50 30 KKEARM Cc1ccc(/N=C2\S/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000101018670 554561344 /nfs/dbraw/zinc/56/13/44/554561344.db2.gz XQEXANOLVJMGMQ-NOMMCYAHSA-N -1 0 586.349 7.959 50 30 KKEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1c(Br)cc(Br)cc1Br ZINC000101055484 554569466 /nfs/dbraw/zinc/56/94/66/554569466.db2.gz AAPOWOBRQSFKDA-XSFVSMFZSA-N -1 0 560.000 5.073 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101069837 554574294 /nfs/dbraw/zinc/57/42/94/554574294.db2.gz UPPYWGYVLUBTMO-JBCNATCCSA-N -1 0 523.383 6.133 50 30 KKEARM CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000101069802 554574319 /nfs/dbraw/zinc/57/43/19/554574319.db2.gz SJRVUQOZJUOZDX-MOBKVPTQSA-N -1 0 510.771 5.931 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000101069809 554574326 /nfs/dbraw/zinc/57/43/26/554574326.db2.gz YJHVONARFVQHAW-HOGKFDNTSA-N -1 0 525.786 5.687 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101072619 554576221 /nfs/dbraw/zinc/57/62/21/554576221.db2.gz CYDMLNFRBCLYPJ-NHFXJNLRSA-N -1 0 592.081 6.600 50 30 KKEARM CC(C)(C)c1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Br)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101072962 554576557 /nfs/dbraw/zinc/57/65/57/554576557.db2.gz UKCVADHUNBKUIP-NHFXJNLRSA-N -1 0 560.242 6.123 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000101095604 554584449 /nfs/dbraw/zinc/58/44/49/554584449.db2.gz DEBLTMZBYLFYNN-NHFXJNLRSA-N -1 0 509.356 5.824 50 30 KKEARM C#CCOc1cc(Br)c(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc1OC ZINC000101122763 554643922 /nfs/dbraw/zinc/64/39/22/554643922.db2.gz QTKSWNLWJSHCGN-KGENOOAVSA-N -1 0 531.362 5.002 50 30 KKEARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C1=O ZINC000101129613 554648578 /nfs/dbraw/zinc/64/85/78/554648578.db2.gz ISXZVUFNYIPLHT-AWEZNQCLSA-N -1 0 527.439 5.692 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000101277297 554703499 /nfs/dbraw/zinc/70/34/99/554703499.db2.gz OUDMSEHDFGOIQX-TXTDGAROSA-N -1 0 626.687 6.022 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000101277893 554704246 /nfs/dbraw/zinc/70/42/46/554704246.db2.gz DJZJPEFDAIQGNM-JBCNATCCSA-N -1 0 539.009 5.391 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316818 554723850 /nfs/dbraw/zinc/72/38/50/554723850.db2.gz LREGSNNFTZKAQQ-ONQGDUAMSA-N -1 0 613.717 6.101 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000101338297 554735068 /nfs/dbraw/zinc/73/50/68/554735068.db2.gz XIUZOTVCNRUJEB-MUUNZHRXSA-N -1 0 609.704 7.853 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000101344376 554736756 /nfs/dbraw/zinc/73/67/56/554736756.db2.gz YGYWGDHMQINBPQ-SANMLTNESA-N -1 0 612.664 7.122 50 30 KKEARM C=CCn1c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000101369663 554744413 /nfs/dbraw/zinc/74/44/13/554744413.db2.gz VFMMWBOIHLYGRY-UHFFFAOYSA-N -1 0 553.065 5.366 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000101397804 554758952 /nfs/dbraw/zinc/75/89/52/554758952.db2.gz FGCQAPYCOBVCCP-UQRQXUALSA-N -1 0 525.977 5.430 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000101415480 554764631 /nfs/dbraw/zinc/76/46/31/554764631.db2.gz HYXNPONUMTVHRR-JJKYIXSRSA-N -1 0 567.414 6.253 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000101610973 554805661 /nfs/dbraw/zinc/80/56/61/554805661.db2.gz HLOGLXQAIRJQCM-GYLBKSORSA-N -1 0 595.515 7.057 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102052359 554871619 /nfs/dbraw/zinc/87/16/19/554871619.db2.gz WJESBEDJMDTQHC-NRUKRWIHSA-N -1 0 587.701 7.478 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052908 554872090 /nfs/dbraw/zinc/87/20/90/554872090.db2.gz YCQOWELUPWCKTH-RBSBEOHCSA-N -1 0 545.588 5.143 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Cl)c1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053309 554872093 /nfs/dbraw/zinc/87/20/93/554872093.db2.gz SBKKXDRXMGLBPF-OWJWWREXSA-N -1 0 550.467 7.205 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078887 554875538 /nfs/dbraw/zinc/87/55/38/554875538.db2.gz IQDFFUDBVHJKCP-ZHJYXLETSA-N -1 0 627.788 7.205 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cccc(C(=O)[O-])c2)N2CCCCC2)cc1 ZINC000102313167 554910055 /nfs/dbraw/zinc/91/00/55/554910055.db2.gz HCNSYFWLVFTCKJ-ZSWXBHCYSA-N -1 0 627.892 8.371 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483871 554937564 /nfs/dbraw/zinc/93/75/64/554937564.db2.gz TZGDNQCBXKYFOK-ZHHPLPSFSA-N -1 0 531.546 5.238 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102492704 554939643 /nfs/dbraw/zinc/93/96/43/554939643.db2.gz YBQVQYLVYJCDLL-WOOAAIBNSA-N -1 0 501.347 5.831 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102494423 554940053 /nfs/dbraw/zinc/94/00/53/554940053.db2.gz JLNDGDZSZCFNMI-MOBKVPTQSA-N -1 0 553.409 6.223 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000102502551 554943774 /nfs/dbraw/zinc/94/37/74/554943774.db2.gz PQIDZPZJRUINRS-MOBKVPTQSA-N -1 0 555.052 6.004 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102506287 554944544 /nfs/dbraw/zinc/94/45/44/554944544.db2.gz SVUVZNLURIASHK-MRJHHRETSA-N -1 0 555.837 6.347 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102511074 554946313 /nfs/dbraw/zinc/94/63/13/554946313.db2.gz SIWCFDGZEIPOHC-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102512476 554946704 /nfs/dbraw/zinc/94/67/04/554946704.db2.gz YMZPRRQSUGVFFL-ZHHPLPSFSA-N -1 0 520.994 5.983 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102513483 554947033 /nfs/dbraw/zinc/94/70/33/554947033.db2.gz JUGUHHYKGFZWMS-YDJIHCHBSA-N -1 0 526.998 5.225 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102514864 554947545 /nfs/dbraw/zinc/94/75/45/554947545.db2.gz BAXWSKAJUAIAGB-JBCNATCCSA-N -1 0 521.938 5.493 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102525775 554951837 /nfs/dbraw/zinc/95/18/37/554951837.db2.gz LTKAENCPUTVORT-WOOAAIBNSA-N -1 0 501.416 6.599 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102543411 554958148 /nfs/dbraw/zinc/95/81/48/554958148.db2.gz YLISPRCIUZJYFG-AYWGPLOBSA-N -1 0 506.530 5.990 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccnc2)o1 ZINC000102545152 554958722 /nfs/dbraw/zinc/95/87/22/554958722.db2.gz KWZLMAJOFFYXMX-YDJIHCHBSA-N -1 0 504.593 5.062 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102559075 554966396 /nfs/dbraw/zinc/96/63/96/554966396.db2.gz KZJNLWQAQIJUTQ-SBXHHDGASA-N -1 0 542.573 5.268 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102559861 554967095 /nfs/dbraw/zinc/96/70/95/554967095.db2.gz QPEWYZOUVUHSST-SBXHHDGASA-N -1 0 565.003 5.364 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102567727 554970127 /nfs/dbraw/zinc/97/01/27/554970127.db2.gz HVTOXUZYSRLQCF-WRPQUVRJSA-N -1 0 577.634 6.058 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(O)c2)s1 ZINC000102584107 554972855 /nfs/dbraw/zinc/97/28/55/554972855.db2.gz SZFWHPDKXNZWNQ-NXLSWJSLSA-N -1 0 513.575 5.066 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000102588432 554973566 /nfs/dbraw/zinc/97/35/66/554973566.db2.gz RZMFZJNXDCJEBC-MOBKVPTQSA-N -1 0 528.439 5.257 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102602700 554977963 /nfs/dbraw/zinc/97/79/63/554977963.db2.gz IHAFYXDHGXPMTC-WRPQUVRJSA-N -1 0 592.098 6.139 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606114 554978841 /nfs/dbraw/zinc/97/88/41/554978841.db2.gz VQCABXWELQQNRA-IVCQMTBJSA-N -1 0 549.649 5.386 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102607253 554979811 /nfs/dbraw/zinc/97/98/11/554979811.db2.gz NPUMQXUHTMQXFS-AYWGPLOBSA-N -1 0 596.061 6.020 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102607135 554979872 /nfs/dbraw/zinc/97/98/72/554979872.db2.gz UEVGFXUCYAUHFM-ZHHPLPSFSA-N -1 0 579.606 5.506 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000102610475 554980757 /nfs/dbraw/zinc/98/07/57/554980757.db2.gz BSFPEMHCEMBYLB-ONQGDUAMSA-N -1 0 615.733 6.325 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102617073 554984524 /nfs/dbraw/zinc/98/45/24/554984524.db2.gz NLEDXEDYSGBOAT-GMBUILNLSA-N -1 0 543.557 5.163 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102617553 554984794 /nfs/dbraw/zinc/98/47/94/554984794.db2.gz SGRFFHXBPPMVAC-AYWGPLOBSA-N -1 0 579.606 5.506 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000102617202 554984824 /nfs/dbraw/zinc/98/48/24/554984824.db2.gz IKSNEODYSOWWSJ-IBGZPJMESA-N -1 0 531.417 6.026 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102624232 554987752 /nfs/dbraw/zinc/98/77/52/554987752.db2.gz YWBSVIGSQZSVEN-YDJIHCHBSA-N -1 0 513.384 5.148 50 30 KKEARM N#Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102644209 554991466 /nfs/dbraw/zinc/99/14/66/554991466.db2.gz TVLIYEYNSIXSEB-URAOTHONSA-N -1 0 509.537 6.112 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102651648 554996098 /nfs/dbraw/zinc/99/60/98/554996098.db2.gz LVOZOFLAAJFTJN-QNIVJUIWSA-N -1 0 589.670 5.928 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102671207 555002697 /nfs/dbraw/zinc/00/26/97/555002697.db2.gz IGHWROWUBAYKIH-BBHOXHGRSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102679216 555004718 /nfs/dbraw/zinc/00/47/18/555004718.db2.gz MPHNXZIRBAMDLZ-BBHOXHGRSA-N -1 0 575.643 5.625 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102696397 555011369 /nfs/dbraw/zinc/01/13/69/555011369.db2.gz RBWMYRXTKFAPFL-ZHHPLPSFSA-N -1 0 531.546 5.156 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102704820 555013904 /nfs/dbraw/zinc/01/39/04/555013904.db2.gz LXHVODBMABOQCW-MOBKVPTQSA-N -1 0 520.563 5.104 50 30 KKEARM COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)c(C)c4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102705118 555014388 /nfs/dbraw/zinc/01/43/88/555014388.db2.gz OITIKPXFWDJUST-AYWGPLOBSA-N -1 0 504.539 5.387 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102722335 555020443 /nfs/dbraw/zinc/02/04/43/555020443.db2.gz DFFCKWVSRSPBNC-HOGKFDNTSA-N -1 0 519.966 6.047 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102726469 555021914 /nfs/dbraw/zinc/02/19/14/555021914.db2.gz UWFSWKFZGSEZNA-MOBKVPTQSA-N -1 0 503.511 5.532 50 30 KKEARM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102733468 555024448 /nfs/dbraw/zinc/02/44/48/555024448.db2.gz OHCKUAUCDQFAHJ-NXLSWJSLSA-N -1 0 544.585 5.035 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102736981 555026393 /nfs/dbraw/zinc/02/63/93/555026393.db2.gz UXLVVDZMFOWANP-HAQIDCBSSA-N -1 0 557.584 5.553 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102737017 555026716 /nfs/dbraw/zinc/02/67/16/555026716.db2.gz HZBMRQDECDMLNG-JRPVAJNPSA-N -1 0 557.584 5.553 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000102771299 555059991 /nfs/dbraw/zinc/05/99/91/555059991.db2.gz BQXRHKGOCCDQNE-MWCANZRFSA-N -1 0 590.126 6.742 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771311 555060031 /nfs/dbraw/zinc/06/00/31/555060031.db2.gz PBDLXELTLIFQJU-WRPQUVRJSA-N -1 0 594.089 6.573 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000102771448 555060394 /nfs/dbraw/zinc/06/03/94/555060394.db2.gz NNQBECOHYBXCFG-NEMSTITPSA-N -1 0 573.671 6.228 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccs3)ccc2O1 ZINC000102771544 555060681 /nfs/dbraw/zinc/06/06/81/555060681.db2.gz NOBWSQFCHBHUCV-NSEAICKMSA-N -1 0 509.008 5.961 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102857001 555088237 /nfs/dbraw/zinc/08/82/37/555088237.db2.gz MLMUPUUDKVEUJS-MOBKVPTQSA-N -1 0 541.412 6.247 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102861854 555091876 /nfs/dbraw/zinc/09/18/76/555091876.db2.gz MIAJJMMYMMMJHS-ZHHPLPSFSA-N -1 0 531.546 5.238 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102863468 555093273 /nfs/dbraw/zinc/09/32/73/555093273.db2.gz SOSPRUFBTPXKPF-KQAPWQHSSA-N -1 0 530.602 5.565 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102864520 555094129 /nfs/dbraw/zinc/09/41/29/555094129.db2.gz KQVDUKJYFPTZOW-HOGKFDNTSA-N -1 0 508.958 6.114 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102864667 555094209 /nfs/dbraw/zinc/09/42/09/555094209.db2.gz ZXZXYEFEEHNNMM-NHFXJNLRSA-N -1 0 513.413 5.547 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102864824 555094576 /nfs/dbraw/zinc/09/45/76/555094576.db2.gz AMEPQPFNJFOPTN-JBCNATCCSA-N -1 0 529.401 6.530 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102866303 555095523 /nfs/dbraw/zinc/09/55/23/555095523.db2.gz RWDZVRALBYPOQJ-MOBKVPTQSA-N -1 0 506.898 5.051 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000102868130 555097679 /nfs/dbraw/zinc/09/76/79/555097679.db2.gz BQFJQTSJPSOERR-NHFXJNLRSA-N -1 0 547.630 6.491 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102868931 555098229 /nfs/dbraw/zinc/09/82/29/555098229.db2.gz NGKWEYATQDACPK-GROYHEBESA-N -1 0 547.814 5.280 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000102869807 555099435 /nfs/dbraw/zinc/09/94/35/555099435.db2.gz WBBIIJQFWQLFFX-WNQPQFFOSA-N -1 0 603.697 6.318 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102870007 555099651 /nfs/dbraw/zinc/09/96/51/555099651.db2.gz RABNQCANCXSBRS-CGKJMNDRSA-N -1 0 591.483 6.407 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102870015 555099807 /nfs/dbraw/zinc/09/98/07/555099807.db2.gz RABNQCANCXSBRS-JFTLGNCFSA-N -1 0 591.483 6.407 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000102873314 555103724 /nfs/dbraw/zinc/10/37/24/555103724.db2.gz IPTYXWNFCDBMMH-AYWGPLOBSA-N -1 0 596.042 5.472 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102878006 555107228 /nfs/dbraw/zinc/10/72/28/555107228.db2.gz RJWQLXKFHFKMKR-YDJIHCHBSA-N -1 0 525.380 5.677 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102878169 555107473 /nfs/dbraw/zinc/10/74/73/555107473.db2.gz KEBKWBAVNMRFPH-NHFXJNLRSA-N -1 0 525.380 5.677 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000102878750 555107736 /nfs/dbraw/zinc/10/77/36/555107736.db2.gz JSRXCUDQSHUVJZ-NHFXJNLRSA-N -1 0 571.449 5.334 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102883140 555111297 /nfs/dbraw/zinc/11/12/97/555111297.db2.gz JHZFMQZQKOCJDZ-AYWGPLOBSA-N -1 0 536.993 5.602 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102884850 555114900 /nfs/dbraw/zinc/11/49/00/555114900.db2.gz DPMWTKALXRFBKJ-ZHHPLPSFSA-N -1 0 565.445 6.011 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102886506 555116948 /nfs/dbraw/zinc/11/69/48/555116948.db2.gz ZQXUWSYQDGMJKD-FSISNWKMSA-N -1 0 561.015 5.686 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000102887218 555118625 /nfs/dbraw/zinc/11/86/25/555118625.db2.gz GOMDOQUDRZSUSY-ONQGDUAMSA-N -1 0 614.676 5.856 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887575 555119572 /nfs/dbraw/zinc/11/95/72/555119572.db2.gz MZFYZOQAINNGNC-PDZZUNKHSA-N -1 0 605.112 7.087 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888402 555121485 /nfs/dbraw/zinc/12/14/85/555121485.db2.gz XRNRSNMWIIYLNP-HYVCFMKYSA-N -1 0 621.740 6.942 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102888624 555121756 /nfs/dbraw/zinc/12/17/56/555121756.db2.gz YBLJCKVYHLNPIU-NSOCNUKWSA-N -1 0 617.724 6.708 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)ccc1OCc1ccccc1 ZINC000102888911 555122511 /nfs/dbraw/zinc/12/25/11/555122511.db2.gz XRYOYJSRAFUQJC-CZNAVJSXSA-N -1 0 556.596 5.128 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OCC ZINC000102889128 555123152 /nfs/dbraw/zinc/12/31/52/555123152.db2.gz IOBWTTIGQZPOIW-IUKMQXEJSA-N -1 0 608.669 5.213 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102891279 555126789 /nfs/dbraw/zinc/12/67/89/555126789.db2.gz SJBLOZWZIUCVCX-MOBKVPTQSA-N -1 0 539.396 6.001 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102891357 555127079 /nfs/dbraw/zinc/12/70/79/555127079.db2.gz KUPSLWUMVLRKBJ-NXLSWJSLSA-N -1 0 583.449 6.399 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102891654 555127516 /nfs/dbraw/zinc/12/75/16/555127516.db2.gz JXCNHQWCRJHISQ-NXLSWJSLSA-N -1 0 532.021 6.014 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892273 555128335 /nfs/dbraw/zinc/12/83/35/555128335.db2.gz VJEJGLSBEGLNGA-LXIOPLLASA-N -1 0 593.057 5.925 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000102895011 555133593 /nfs/dbraw/zinc/13/35/93/555133593.db2.gz FEPCSFCJEGRKRB-ONQGDUAMSA-N -1 0 607.084 6.535 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102927904 555152629 /nfs/dbraw/zinc/15/26/29/555152629.db2.gz BVNPYQFXPORLCJ-HOGKFDNTSA-N -1 0 518.547 5.009 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102927999 555152850 /nfs/dbraw/zinc/15/28/50/555152850.db2.gz FBQRBFIIAVDATA-WOOAAIBNSA-N -1 0 527.421 5.755 50 30 KKEARM CN(C)c1ccc(C(=NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(N(C)C)cc2)cc1 ZINC000102928236 555153581 /nfs/dbraw/zinc/15/35/81/555153581.db2.gz KCNAZYJBRCZDJG-UHFFFAOYSA-N -1 0 584.698 5.068 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102928619 555154169 /nfs/dbraw/zinc/15/41/69/555154169.db2.gz AQAHPOPMAQDSMF-ZHHPLPSFSA-N -1 0 504.564 5.621 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929318 555154964 /nfs/dbraw/zinc/15/49/64/555154964.db2.gz UVBZQBPLRATORX-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102929790 555155856 /nfs/dbraw/zinc/15/58/56/555155856.db2.gz UKKORBBHMFSLRY-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM CN(C)c1ccc(C(=NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000102957973 555174435 /nfs/dbraw/zinc/17/44/35/555174435.db2.gz LNBNVNJYTOELMD-UHFFFAOYSA-N -1 0 544.652 5.436 50 30 KKEARM CCCCCCCCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[C@@H](C)CC3 ZINC000103009057 555205487 /nfs/dbraw/zinc/20/54/87/555205487.db2.gz YNMOOKQFMWSWJP-KRWDZBQOSA-N -1 0 555.657 6.076 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000029555350 562031966 /nfs/dbraw/zinc/03/19/66/562031966.db2.gz UYMVUDWLGIYLKY-LYQIAVTOSA-N -1 0 512.731 6.983 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000103929009 571370128 /nfs/dbraw/zinc/37/01/28/571370128.db2.gz VMUUTVRLRWITNF-YDJIHCHBSA-N -1 0 561.443 5.878 50 30 KKEARM C=CCOc1c(Br)cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1OCC ZINC000105980714 571409818 /nfs/dbraw/zinc/40/98/18/571409818.db2.gz HPRHWCKDAQPIQB-LFIBNONCSA-N -1 0 525.471 5.020 50 30 KKEARM O=[N+]([O-])c1c(Br)cc(Br)c(/N=C/c2cc(Br)cc(Br)c2[O-])c1Br ZINC000150349084 571461457 /nfs/dbraw/zinc/46/14/57/571461457.db2.gz AIYBJTGDAPZAKV-RMOCHZDMSA-N -1 0 636.714 6.864 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)[O-])cc1NC(=O)C1=CC(=NNc2c(Cl)cccc2Cl)c2ccccc2C1=O ZINC000150397831 571477072 /nfs/dbraw/zinc/47/70/72/571477072.db2.gz OFKWWGSQSKFMHV-CPHIHMHPSA-N -1 0 797.890 13.464 50 30 KKEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=O)c1 ZINC000150403147 571478637 /nfs/dbraw/zinc/47/86/37/571478637.db2.gz HXFUYKLWYCEQGZ-UHFFFAOYSA-N -1 0 631.533 6.111 50 30 KKEARM Cc1nc(-c2ccccc2)sc1C([O-])=C1C(=O)C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@@H]1c1ccc(F)cc1 ZINC000150404458 571479063 /nfs/dbraw/zinc/47/90/63/571479063.db2.gz GTTUEWUXBJEJFL-HHHXNRCGSA-N -1 0 650.782 8.338 50 30 KKEARM CCCCc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000150416009 571485657 /nfs/dbraw/zinc/48/56/57/571485657.db2.gz DFGVVDDVELNBRF-IJGATTDUSA-N -1 0 663.159 8.164 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150418412 571486542 /nfs/dbraw/zinc/48/65/42/571486542.db2.gz JCTKKPYJMAPTQD-XKNZNLGKSA-N -1 0 647.750 6.717 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422193 571488067 /nfs/dbraw/zinc/48/80/67/571488067.db2.gz ATQWIISOWXZCHV-RWTZSVALSA-N -1 0 699.810 7.960 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCCC(C)C ZINC000150422220 571488369 /nfs/dbraw/zinc/48/83/69/571488369.db2.gz VVFUEDKKESHPCC-NNZNMFTDSA-N -1 0 689.831 7.743 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000150426361 571490554 /nfs/dbraw/zinc/49/05/54/571490554.db2.gz YOQFDFNZDWOERT-QNIVJUIWSA-N -1 0 634.135 6.220 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150428564 571492161 /nfs/dbraw/zinc/49/21/61/571492161.db2.gz NPVIZSMGCMNVCS-PMERELPUSA-N -1 0 706.871 8.606 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432512 571494177 /nfs/dbraw/zinc/49/41/77/571494177.db2.gz OHEMJFYLQYJWQJ-HSZRJFAPSA-N -1 0 628.040 5.035 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435546 571495432 /nfs/dbraw/zinc/49/54/32/571495432.db2.gz LOSQQCCTQRVVIX-JOZOHXTNSA-N -1 0 709.821 7.897 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435797 571495774 /nfs/dbraw/zinc/49/57/74/571495774.db2.gz QNONWGPLBDCTDJ-UFCAPWSISA-N -1 0 743.863 8.359 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445108 571500135 /nfs/dbraw/zinc/50/01/35/571500135.db2.gz QNKVXJFXHSPHSA-KFLIVHAJSA-N -1 0 660.748 7.934 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000150445111 571500220 /nfs/dbraw/zinc/50/02/20/571500220.db2.gz QNKVXJFXHSPHSA-SZYGQJGOSA-N -1 0 660.748 7.934 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445863 571500738 /nfs/dbraw/zinc/50/07/38/571500738.db2.gz OFGLHEMHLKWAMY-FZIYRNTBSA-N -1 0 632.163 6.998 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150446804 571501086 /nfs/dbraw/zinc/50/10/86/571501086.db2.gz KHBYPCXXTNRGHC-WYNCGZBVSA-N -1 0 648.206 7.612 50 30 KKEARM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000150447011 571501156 /nfs/dbraw/zinc/50/11/56/571501156.db2.gz NKFKFDCYWHCXMT-VWLOTQADSA-N -1 0 638.123 6.618 50 30 KKEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1 ZINC000150452402 571503244 /nfs/dbraw/zinc/50/32/44/571503244.db2.gz YZJMPEHJBQDTMV-UHFFFAOYSA-N -1 0 630.119 5.922 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150457683 571505013 /nfs/dbraw/zinc/50/50/13/571505013.db2.gz HIBLOLNHIVPKHV-WKUSSTJHSA-N -1 0 682.651 8.266 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457827 571505212 /nfs/dbraw/zinc/50/52/12/571505212.db2.gz NGDBHKLVKGCDLV-QMDVFYPZSA-N -1 0 678.232 7.621 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150458489 571505534 /nfs/dbraw/zinc/50/55/34/571505534.db2.gz NCJXTFSZHJPPNU-WSOTVMCUSA-N -1 0 677.848 8.502 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCCCCC)c(OCC)c2)nc1C ZINC000150459749 571505942 /nfs/dbraw/zinc/50/59/42/571505942.db2.gz FAOJREGVWPWXOA-TXTDGAROSA-N -1 0 648.734 6.160 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150460578 571506130 /nfs/dbraw/zinc/50/61/30/571506130.db2.gz OGZWQOFRWNQHLP-NNZNMFTDSA-N -1 0 689.831 7.887 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCCC(C)C)c3)s2)cc1 ZINC000150460624 571506157 /nfs/dbraw/zinc/50/61/57/571506157.db2.gz JKLBPGVAZJASOH-FCLPXNLHSA-N -1 0 641.815 7.513 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461452 571506272 /nfs/dbraw/zinc/50/62/72/571506272.db2.gz NWBXBFHSXWCVNY-LOOKCOSASA-N -1 0 631.751 7.098 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462870 571506747 /nfs/dbraw/zinc/50/67/47/571506747.db2.gz ZVYZBUBZZSZXNM-UZGIXAGNSA-N -1 0 675.804 7.497 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150462765 571506781 /nfs/dbraw/zinc/50/67/81/571506781.db2.gz RXELSXPDPPZQLN-NBXYUPGTSA-N -1 0 682.223 8.013 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150463187 571506917 /nfs/dbraw/zinc/50/69/17/571506917.db2.gz IJVXLJJBEOTLQE-VXJPNWOUSA-N -1 0 645.778 7.344 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150463107 571506955 /nfs/dbraw/zinc/50/69/55/571506955.db2.gz VNPUIRGWYUCACF-WGGXKBPPSA-N -1 0 670.740 6.334 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000150463202 571507008 /nfs/dbraw/zinc/50/70/08/571507008.db2.gz RFPIPEUKSBZXFL-QOISPNJLSA-N -1 0 641.815 7.658 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150463522 571507202 /nfs/dbraw/zinc/50/72/02/571507202.db2.gz KLHFHAIGLXADFB-QBCYBHDASA-N -1 0 645.778 7.344 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463438 571507237 /nfs/dbraw/zinc/50/72/37/571507237.db2.gz GWEAJFAZYLBVED-KBNMONRCSA-N -1 0 663.821 8.112 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463870 571507422 /nfs/dbraw/zinc/50/74/22/571507422.db2.gz GHIQIZFTIAXKMO-WENCHWOGSA-N -1 0 657.814 7.358 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150463846 571507459 /nfs/dbraw/zinc/50/74/59/571507459.db2.gz FWSCFIOLGYGWHX-DNPZSINUSA-N -1 0 693.847 8.121 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467509 571508122 /nfs/dbraw/zinc/50/81/22/571508122.db2.gz JKMPBZDLKOXVGM-CZNAVJSXSA-N -1 0 668.580 7.100 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150467633 571508253 /nfs/dbraw/zinc/50/82/53/571508253.db2.gz REQYMQIYYXRQBN-NPJIAGGLSA-N -1 0 656.569 6.933 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150471538 571509462 /nfs/dbraw/zinc/50/94/62/571509462.db2.gz VLPMQSJEXNBJOA-RWTZSVALSA-N -1 0 723.873 8.349 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150471540 571509553 /nfs/dbraw/zinc/50/95/53/571509553.db2.gz VLPMQSJEXNBJOA-JHRPXHEESA-N -1 0 723.873 8.349 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150472814 571510202 /nfs/dbraw/zinc/51/02/02/571510202.db2.gz JBYJSYGGSIUHDS-AHPONGEQSA-N -1 0 663.777 7.115 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150473622 571510366 /nfs/dbraw/zinc/51/03/66/571510366.db2.gz FCQKMIILEQPXIK-MIOXIQPJSA-N -1 0 694.231 7.459 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150476807 571511086 /nfs/dbraw/zinc/51/10/86/571511086.db2.gz JMJCAKNZIPLTIM-UUALVTFQSA-N -1 0 628.131 7.035 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150477264 571511202 /nfs/dbraw/zinc/51/12/02/571511202.db2.gz WUNPPVGYBQJZLO-UUALVTFQSA-N -1 0 650.178 7.060 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150477266 571511333 /nfs/dbraw/zinc/51/13/33/571511333.db2.gz WUNPPVGYBQJZLO-ONQGDUAMSA-N -1 0 650.178 7.060 50 30 KKEARM CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150479445 571511538 /nfs/dbraw/zinc/51/15/38/571511538.db2.gz PDMDNGJPODFPCH-QMMFTLRZSA-N -1 0 635.767 7.505 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150480384 571511909 /nfs/dbraw/zinc/51/19/09/571511909.db2.gz WYANABXJEOPBAU-MIOXIQPJSA-N -1 0 677.776 6.945 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150482801 571513477 /nfs/dbraw/zinc/51/34/77/571513477.db2.gz ITUOTMFVHYQISU-VEZPTTSMSA-N -1 0 691.803 7.335 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc(Br)c2)cc1F ZINC000150483263 571513941 /nfs/dbraw/zinc/51/39/41/571513941.db2.gz ZJOPOESRAQECML-SANMLTNESA-N -1 0 646.563 7.977 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000150484876 571515406 /nfs/dbraw/zinc/51/54/06/571515406.db2.gz GKZPVEVDUNHMNT-FSISNWKMSA-N -1 0 644.989 7.740 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150485488 571515948 /nfs/dbraw/zinc/51/59/48/571515948.db2.gz VULMHLJPDSBQAW-SSEXGKCCSA-N -1 0 690.872 8.987 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccc(OC)c(OC)c2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000150591456 571521945 /nfs/dbraw/zinc/52/19/45/571521945.db2.gz OJRFYUBLTOGNAI-WUZYOQQESA-N -1 0 677.930 7.326 50 30 KKEARM COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(-c4ccc(C(=O)[O-])cc4)o2)CC(=O)O3)C1=O ZINC000263586413 572122849 /nfs/dbraw/zinc/12/28/49/572122849.db2.gz UDXAFPBXIIBTSO-PUDRWSQFSA-N -1 0 508.482 5.711 50 30 KKEARM CCc1ccccc1NC1=C2NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(c(c(c([O-])c4C)C2=O)C1=O)C3=O ZINC000245226086 572203412 /nfs/dbraw/zinc/20/34/12/572203412.db2.gz HJXLYWPYPALBPQ-UBCMHRQKSA-N -1 0 814.929 5.633 50 30 KKEARM CCOC(=O)c1c(N=Cc2cc(I)cc(I)c2[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000245228927 572205999 /nfs/dbraw/zinc/20/59/99/572205999.db2.gz JECFBQKQYVNBEY-UHFFFAOYSA-N -1 0 672.326 6.149 50 30 KKEARM COc1ccc(N=C2S/C(=C\c3cc(Br)cc(Br)c3[O-])C(=O)N2CC(C)C)cc1 ZINC000252599751 572267303 /nfs/dbraw/zinc/26/73/03/572267303.db2.gz DLDGIEATOCBYMR-VOZMJUITSA-N -1 0 540.277 6.186 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2CC(C)C)cc1 ZINC000252601928 572267549 /nfs/dbraw/zinc/26/75/49/572267549.db2.gz FEEGWZWYYWVSDT-CEOBFCBUSA-N -1 0 519.417 5.181 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)SC2=Nc2ccccc2)cc1 ZINC000252603922 572267619 /nfs/dbraw/zinc/26/76/19/572267619.db2.gz FUTLJOZBWLFDAF-XPZANSQGSA-N -1 0 589.500 8.075 50 30 KKEARM CCOc1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccc(OC)cc3)cs2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000252611703 572268357 /nfs/dbraw/zinc/26/83/57/572268357.db2.gz ILVKPYVTLATOAX-UHFFFAOYSA-N -1 0 542.577 5.345 50 30 KKEARM O=C(CSc1nc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2s1)NCCc1ccccc1 ZINC000252613173 572268460 /nfs/dbraw/zinc/26/84/60/572268460.db2.gz IZCVKGNVZRSVBD-UHFFFAOYSA-N -1 0 516.475 6.510 50 30 KKEARM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000252618437 572269149 /nfs/dbraw/zinc/26/91/49/572269149.db2.gz LGPIUNARGVFYDA-UHFFFAOYSA-N -1 0 543.575 7.516 50 30 KKEARM CCc1ccccc1N=C1S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000252619469 572269267 /nfs/dbraw/zinc/26/92/67/572269267.db2.gz LQESSZXYFUMSCO-YLOHPIGASA-N -1 0 586.349 7.851 50 30 KKEARM COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1 ZINC000252621632 572269580 /nfs/dbraw/zinc/26/95/80/572269580.db2.gz NDIRVCOMABUKMR-UHFFFAOYSA-N -1 0 607.349 7.017 50 30 KKEARM COc1cc(C)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C ZINC000252622161 572269673 /nfs/dbraw/zinc/26/96/73/572269673.db2.gz NQBMMDHCYHDJEI-ILVGJIGVSA-N -1 0 500.620 6.629 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=Nc4ccccc4)N(c4ccccc4)C3=O)o2)ccc1Cl ZINC000252627735 572270799 /nfs/dbraw/zinc/27/07/99/572270799.db2.gz SAQZAOYTOOZPKF-YCBRDWMHSA-N -1 0 500.963 7.107 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000252634204 572271744 /nfs/dbraw/zinc/27/17/44/572271744.db2.gz WKYXZGHIFOJSEI-UHFFFAOYSA-N -1 0 577.074 6.193 50 30 KKEARM CCOc1cc(Br)c(Br)c(C=Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000252635894 572271842 /nfs/dbraw/zinc/27/18/42/572271842.db2.gz XBIOMIZYUUBOQB-UHFFFAOYSA-N -1 0 546.215 6.889 50 30 KKEARM CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000252637317 572271986 /nfs/dbraw/zinc/27/19/86/572271986.db2.gz XRVGTTMSNHIHKR-YLOHPIGASA-N -1 0 510.518 5.636 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000252680031 572281385 /nfs/dbraw/zinc/28/13/85/572281385.db2.gz UUSRSOMFQHDJAD-GMRBNHCBSA-N -1 0 535.681 5.022 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(/C=N/N5CCN(C)CC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)C[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000253388496 572282936 /nfs/dbraw/zinc/28/29/36/572282936.db2.gz YZTXXSCFLBMQBH-SUQJOJFXSA-N -1 0 806.954 5.365 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H](CCC(C)C)c3ccco3)C1=O)O2 ZINC000253409678 572287177 /nfs/dbraw/zinc/28/71/77/572287177.db2.gz MFGREMZEBVDNAO-BTPLGSOOSA-N -1 0 521.610 5.361 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000253501577 572294751 /nfs/dbraw/zinc/29/47/51/572294751.db2.gz IMNYBTVHQUPUHM-ANWSAOQRSA-N -1 0 534.524 6.555 50 30 KKEARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000253502077 572295287 /nfs/dbraw/zinc/29/52/87/572295287.db2.gz ZXUPZKALWACUFH-OHKUGLODSA-N -1 0 720.904 5.193 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCc5c6cc(OC)ccc6[nH]c5C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505322 572297002 /nfs/dbraw/zinc/29/70/02/572297002.db2.gz JRUNXVYFOIYFBW-YXHPQNSMSA-N -1 0 601.744 5.233 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533380 572299422 /nfs/dbraw/zinc/29/94/22/572299422.db2.gz JFBCPEYXJIIHIY-WNSMPJNWSA-N -1 0 558.760 5.238 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533364 572299463 /nfs/dbraw/zinc/29/94/63/572299463.db2.gz IOHDWTBLCTZIIO-ZAZQGYAOSA-N -1 0 561.723 5.366 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533731 572299548 /nfs/dbraw/zinc/29/95/48/572299548.db2.gz QLSKKZPCPDCUDT-RYNPTTKRSA-N -1 0 573.734 5.820 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H]1CC(=O)N(c2ccc(Cl)c(Nc3[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3N=Nc3ccc(O)cc3Cl)c2)C1=O ZINC000254764566 572303478 /nfs/dbraw/zinc/30/34/78/572303478.db2.gz MBZDNWOFYBFREC-IMSFFZSHSA-N -1 0 893.184 14.115 50 30 KKEARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000257356099 572321947 /nfs/dbraw/zinc/32/19/47/572321947.db2.gz FTQDJVZNPJRVPG-LHIRDNCMSA-N -1 0 512.731 6.983 50 30 KKEARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-] ZINC000014089770 574410894 /nfs/dbraw/zinc/41/08/94/574410894.db2.gz HMMGKOVEOFBCAU-KUURSGIVSA-N -1 0 512.731 6.839 50 30 endogenous,in-man KKEARM O=C([O-])c1ccc2nc(-c3ccc(C#Cc4ccccc4)cc3)c(-c3ccc(C#Cc4ccccc4)cc3)nc2c1 ZINC000002839596 1069823949 /nfs/dbraw/zinc/82/39/49/1069823949.db2.gz CGXDXHMIURNBJX-UHFFFAOYSA-N -1 0 526.595 7.462 50 30 KKEARM COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(-c4ccc(C(=O)[O-])cc4)o2)CC(=O)O3)C1=O ZINC000524730304 1069832573 /nfs/dbraw/zinc/83/25/73/1069832573.db2.gz DWOMQHOSLLZCBB-PLNVPOSRSA-N -1 0 568.534 5.728 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731134 1069832758 /nfs/dbraw/zinc/83/27/58/1069832758.db2.gz LETQSQZIEJHVCB-JIFYINTFSA-N -1 0 610.999 5.397 50 30 KKEARM Oc1ccc(Br)cc1C=NN=c1nc(NN=Cc2cc(Br)ccc2O)nc(N(c2ccccc2)c2ccccc2)[n-]1 ZINC000095100414 1069858679 /nfs/dbraw/zinc/85/86/79/1069858679.db2.gz FHMLFDZRUOUBJV-NIRJMVPRSA-N -1 0 674.357 7.170 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089277 1071058589 /nfs/dbraw/zinc/05/85/89/1071058589.db2.gz SDLLZQLFPYRLFM-SCQMTQESSA-N -1 0 610.999 5.397 50 30 KKEARM Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1/N=C/c1c([O-])c(C(=O)Nc2ccccc2C)cc2ccccc21 ZINC000106814782 1071074796 /nfs/dbraw/zinc/07/47/96/1071074796.db2.gz BHEUBBJANOVSOH-DPNNOFEESA-N -1 0 575.581 7.725 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c(OC)c1 ZINC000604404247 1071269316 /nfs/dbraw/zinc/26/93/16/1071269316.db2.gz MDUQNXLUSFUXAB-VHLXNKDGSA-N -1 0 538.508 5.719 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)[nH]n1C(C)C)[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000824567283 1071282152 /nfs/dbraw/zinc/28/21/52/1071282152.db2.gz PVDVRLSYSLDBAN-DEVWWYPJSA-N -1 0 694.524 6.886 50 30 KKEARM COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000097980988 1072838906 /nfs/dbraw/zinc/83/89/06/1072838906.db2.gz CIFOATLTLCTFQL-PGGUJSHWSA-N -1 0 553.640 5.927 50 30 KKEARM COc1cc(/C=C\C(=O)c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000098053736 1072842512 /nfs/dbraw/zinc/84/25/12/1072842512.db2.gz ZYGHDBTZLOWLHE-ZRHBHEHHSA-N -1 0 501.362 6.329 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c2ccccc2n(C)c1-c1ccccc1 ZINC000254571099 1072864778 /nfs/dbraw/zinc/86/47/78/1072864778.db2.gz QEEYVNPATKFXMB-UHFFFAOYSA-N -1 0 555.616 6.009 50 30 KKEARM CCN(Cc1ccccc1)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000254721208 1072872734 /nfs/dbraw/zinc/87/27/34/1072872734.db2.gz CPCNFWDGRXBVBZ-UHFFFAOYSA-N -1 0 559.648 5.877 50 30 KKEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC(C)c2ccc(OC(F)F)cc2OC(F)F)c([N+](=O)[O-])c1 ZINC000254817126 1072880956 /nfs/dbraw/zinc/88/09/56/1072880956.db2.gz QASYGLKIOGTULW-UHFFFAOYSA-N -1 0 572.493 5.443 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1[C@H](c1ccc(Br)cc1)[C@H](C#N)C(N)=O ZINC000001203790 1072890059 /nfs/dbraw/zinc/89/00/59/1072890059.db2.gz STVKGXUKYGKAFO-FXAWDEMLSA-N -1 0 587.297 5.292 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253533210 195477217 /nfs/dbraw/zinc/47/72/17/195477217.db2.gz CYWWELYHCZFKIG-HUJGNDGSSA-N -1 0 534.697 5.339 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533357 195477570 /nfs/dbraw/zinc/47/75/70/195477570.db2.gz IOHDWTBLCTZIIO-DDHAMGGJSA-N -1 0 561.723 5.366 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NOCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000253533438 195477769 /nfs/dbraw/zinc/47/77/69/195477769.db2.gz KQGBJEZYOYEOPW-RSMJNFLCSA-N -1 0 522.686 5.057 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000000631194 551505044 /nfs/dbraw/zinc/50/50/44/551505044.db2.gz OZHSRUUCOUHZSO-IBGZPJMESA-N -1 0 541.423 5.482 50 30 KKEARM CCCc1sc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)c2C)c(C#N)c1C ZINC000000638250 551506715 /nfs/dbraw/zinc/50/67/15/551506715.db2.gz XHFDFJYQVYGPDE-FYJGNVAPSA-N -1 0 502.665 5.428 50 30 KKEARM N#Cc1c(/N=C/c2cc(Br)cc(Br)c2[O-])oc(-c2ccoc2)c1-c1ccco1 ZINC000000704985 551531275 /nfs/dbraw/zinc/53/12/75/551531275.db2.gz FISVMLTULDTDAP-PGGKNCGUSA-N -1 0 502.118 6.652 50 30 KKEARM CN(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000718110 551535087 /nfs/dbraw/zinc/53/50/87/551535087.db2.gz UGZFCRYLVXODPS-BGOLNKOXSA-N -1 0 544.051 6.171 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1 ZINC000001011414 551596724 /nfs/dbraw/zinc/59/67/24/551596724.db2.gz UZPKEGBVBCSLOR-UHFFFAOYSA-N -1 0 536.024 5.816 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccc(C)cc2)[C@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000001070913 551602914 /nfs/dbraw/zinc/60/29/14/551602914.db2.gz OMDDYQPXXBPWPU-PRAQEBQASA-N -1 0 599.640 5.635 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1OC ZINC000001097626 551607953 /nfs/dbraw/zinc/60/79/53/551607953.db2.gz SKXIFIORZWGYRB-YRVHBCJASA-N -1 0 532.618 5.531 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243790 551631242 /nfs/dbraw/zinc/63/12/42/551631242.db2.gz SEZWZILQHINOLR-DFXYEROKSA-N -1 0 542.563 5.378 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1 ZINC000001259067 551633575 /nfs/dbraw/zinc/63/35/75/551633575.db2.gz KGEXVVPEHJTOJQ-WRHNGFHOSA-N -1 0 502.592 5.522 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccs3)C2)cc1 ZINC000001259069 551633593 /nfs/dbraw/zinc/63/35/93/551633593.db2.gz KGEXVVPEHJTOJQ-JMQGSBJISA-N -1 0 502.592 5.522 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000001449853 551674892 /nfs/dbraw/zinc/67/48/92/551674892.db2.gz JNSHSSVTYXAXQS-NRFANRHFSA-N -1 0 539.407 6.142 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000001463458 551679623 /nfs/dbraw/zinc/67/96/23/551679623.db2.gz JXOZWJOKZSUEJT-DEOSSOPVSA-N -1 0 558.587 6.343 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001479912 551681234 /nfs/dbraw/zinc/68/12/34/551681234.db2.gz YKGMWRSITJVVCZ-XMMPIXPASA-N -1 0 581.046 6.157 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001480814 551681966 /nfs/dbraw/zinc/68/19/66/551681966.db2.gz XXEQBXABASDEGK-QHCPKHFHSA-N -1 0 550.564 5.253 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000001813264 551706768 /nfs/dbraw/zinc/70/67/68/551706768.db2.gz LZRYSKVQLKYAJP-QYBDOPJKSA-N -1 0 585.707 6.254 50 30 KKEARM O=C(Oc1cccc(Br)c1)c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000001885102 551725287 /nfs/dbraw/zinc/72/52/87/551725287.db2.gz KZRNVSMDUUMETD-MUFRIFMGSA-N -1 0 513.347 6.933 50 30 biogenic KKEARM Cc1cc2nc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3)oc2c(C)c1 ZINC000001952083 551735400 /nfs/dbraw/zinc/73/54/00/551735400.db2.gz BWSPLKKNEAUVBZ-OPEKNORGSA-N -1 0 500.190 7.093 50 30 KKEARM O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1)c1ccc(Cl)cc1Cl ZINC000001957215 551736021 /nfs/dbraw/zinc/73/60/21/551736021.db2.gz VVMUZEDUXLSYRW-OKCVXOCRSA-N -1 0 520.372 7.201 50 30 KKEARM CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000002051921 551738789 /nfs/dbraw/zinc/73/87/89/551738789.db2.gz DZFDATRPOVMIQB-BRJLIKDPSA-N -1 0 515.205 6.542 50 30 KKEARM CCc1ccc2oc(-c3cc(/N=C/c4c(O)c(OC)cc(Br)c4Br)ccc3[O-])nc2c1 ZINC000002071738 551747532 /nfs/dbraw/zinc/74/75/32/551747532.db2.gz ORYXRYJLWMUVRW-KBKYJPHKSA-N -1 0 546.215 6.753 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4[O-])ccc3o2)cc1 ZINC000002186532 551787558 /nfs/dbraw/zinc/78/75/58/551787558.db2.gz DROSIZKFBBXGGE-BHGWPJFGSA-N -1 0 504.711 6.218 50 30 KKEARM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)cc(Br)c1[O-] ZINC000002192936 551791313 /nfs/dbraw/zinc/79/13/13/551791313.db2.gz ZIFBUANJTJPCQJ-QHCPKHFHSA-N -1 0 527.256 7.380 50 30 KKEARM N#Cc1ccccc1COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000002262693 552085039 /nfs/dbraw/zinc/08/50/39/552085039.db2.gz UKFRXDSFYRYLDF-DJKKODMXSA-N -1 0 510.308 5.454 50 30 KKEARM O=S(=O)(Oc1ccc(Cl)cc1)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Oc3ccc(Cl)cc3)ccc1-2 ZINC000002605629 552135977 /nfs/dbraw/zinc/13/59/77/552135977.db2.gz CQYRFVGAHAQTPV-UHFFFAOYSA-N -1 0 576.435 5.736 50 30 KKEARM CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5ccc(Cl)cc5Cl)c(OC)c4)ccc3[O-])nc2c1 ZINC000003032405 552268166 /nfs/dbraw/zinc/26/81/66/552268166.db2.gz OBJIXSWXKWMBBF-MHDJOFBISA-N -1 0 561.421 8.048 50 30 KKEARM CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3s2)cc1 ZINC000003094839 552287224 /nfs/dbraw/zinc/28/72/24/552287224.db2.gz GVVIUWLDQCVUHD-XODNFHPESA-N -1 0 590.406 8.867 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1 ZINC000003102963 552288143 /nfs/dbraw/zinc/28/81/43/552288143.db2.gz KUOMUTNBWMCPRI-YSURURNPSA-N -1 0 551.032 7.239 50 30 KKEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003113188 552289893 /nfs/dbraw/zinc/28/98/93/552289893.db2.gz CSSPKXIKMZXLGY-YCPBAFNGSA-N -1 0 541.026 7.783 50 30 KKEARM Cc1cccc2oc(-c3cc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)ccc3[O-])nc21 ZINC000003114209 552290068 /nfs/dbraw/zinc/29/00/68/552290068.db2.gz QIXPDMCFIKHHLX-RWPZCVJISA-N -1 0 510.462 6.868 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)ccc3[O-])nc2c1 ZINC000003143699 552296188 /nfs/dbraw/zinc/29/61/88/552296188.db2.gz OLYCLQICMJHKPD-RWPZCVJISA-N -1 0 510.462 6.868 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4[O-])ccc3o2)cc1 ZINC000003162717 552297715 /nfs/dbraw/zinc/29/77/15/552297715.db2.gz JQHDXWSGBXSDCY-UVHMKAGCSA-N -1 0 575.244 7.616 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1[O-] ZINC000003191528 552302391 /nfs/dbraw/zinc/30/23/91/552302391.db2.gz PHKRASKEDAYRND-PGGKNCGUSA-N -1 0 507.127 6.929 50 30 KKEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000003423507 552384175 /nfs/dbraw/zinc/38/41/75/552384175.db2.gz ZRZXNZZWPMTHMC-UHFFFAOYSA-N -1 0 589.120 5.231 50 30 KKEARM CC1(C)CC2=C(C(=O)C1)[C@]([N-]c1nc3ccccc3s1)(C(F)(F)F)C(=O)N2c1cccc(C(F)(F)F)c1 ZINC000003626853 552395814 /nfs/dbraw/zinc/39/58/14/552395814.db2.gz IKIDTPOWUIGNMW-HSZRJFAPSA-N -1 0 539.501 6.718 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(CCc2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000003626888 552395819 /nfs/dbraw/zinc/39/58/19/552395819.db2.gz VNWRZIFECDBPJV-MUUNZHRXSA-N -1 0 523.555 5.002 50 30 KKEARM COC(=O)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3s2)cc1 ZINC000003664346 552408283 /nfs/dbraw/zinc/40/82/83/552408283.db2.gz NARSMOWVCWMCNK-LUOAPIJWSA-N -1 0 546.457 6.577 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000005355317 552498494 /nfs/dbraw/zinc/49/84/94/552498494.db2.gz FCROLXKIGZLPOW-XMMPIXPASA-N -1 0 580.659 5.526 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000005355607 552498906 /nfs/dbraw/zinc/49/89/06/552498906.db2.gz FRGGTRBJECFARK-VWLOTQADSA-N -1 0 578.687 6.297 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005355549 552499005 /nfs/dbraw/zinc/49/90/05/552499005.db2.gz IBBMIUGRZZIXNW-OAQYLSRUSA-N -1 0 524.570 5.257 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000005357006 552499397 /nfs/dbraw/zinc/49/93/97/552499397.db2.gz SZCRBHAESOYHCM-QHCPKHFHSA-N -1 0 561.015 6.467 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000005919765 552512625 /nfs/dbraw/zinc/51/26/25/552512625.db2.gz BHPGRFBIUKQASP-JOCHJYFZSA-N -1 0 536.581 5.423 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006016179 552519474 /nfs/dbraw/zinc/51/94/74/552519474.db2.gz JVUNLHHAMWYDSD-HSZRJFAPSA-N -1 0 579.612 5.383 50 30 KKEARM O=C(C=CNc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 ZINC000006101717 552534565 /nfs/dbraw/zinc/53/45/65/552534565.db2.gz LPUIOETWUZRZRA-BUHFOSPRSA-N -1 0 509.385 5.002 50 30 KKEARM CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1 ZINC000006136010 552540942 /nfs/dbraw/zinc/54/09/42/552540942.db2.gz BMBHVFKKTBMVAM-BRJLIKDPSA-N -1 0 609.205 6.226 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000006445364 552587660 /nfs/dbraw/zinc/58/76/60/552587660.db2.gz MDGKUTLYHFQUEX-HXUWFJFHSA-N -1 0 536.731 6.904 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nc(C)c(C(C)=O)s4)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000006459120 552590070 /nfs/dbraw/zinc/59/00/70/552590070.db2.gz NDBWIIPSZXYDBE-QFIPXVFZSA-N -1 0 578.599 5.218 50 30 KKEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000008383354 552986161 /nfs/dbraw/zinc/98/61/61/552986161.db2.gz PWMUGMSHUYONLH-AREMUKBSSA-N -1 0 585.682 7.622 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383374 552986551 /nfs/dbraw/zinc/98/65/51/552986551.db2.gz UPNAIHXJKPBLJG-HSZRJFAPSA-N -1 0 559.600 6.204 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc(OC)c1OC ZINC000008383992 552988252 /nfs/dbraw/zinc/98/82/52/552988252.db2.gz GTPPIILSVJYRCM-SANMLTNESA-N -1 0 629.716 6.694 50 30 KKEARM CCc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000008383984 552988258 /nfs/dbraw/zinc/98/82/58/552988258.db2.gz FEEMLBZFVLLGMN-AREMUKBSSA-N -1 0 567.692 7.230 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008384047 552988699 /nfs/dbraw/zinc/98/86/99/552988699.db2.gz NKWDMLCBLDGQAE-HSZRJFAPSA-N -1 0 594.501 7.666 50 30 KKEARM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccco4)C3=O)cc2I)cc1 ZINC000008384065 552988795 /nfs/dbraw/zinc/98/87/95/552988795.db2.gz RQVUYXLEBNHQJB-QWUVVKRYSA-N -1 0 762.363 7.570 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000008396479 552995327 /nfs/dbraw/zinc/99/53/27/552995327.db2.gz UIQYQBXYKFMUEU-ULJHMMPZSA-N -1 0 519.222 5.526 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1 ZINC000008396567 552995510 /nfs/dbraw/zinc/99/55/10/552995510.db2.gz STLUUCMUYVDUGI-NUDFZHEQSA-N -1 0 562.054 6.914 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1 ZINC000008396553 552995545 /nfs/dbraw/zinc/99/55/45/552995545.db2.gz BUXHDBBQPMJWSH-ZXPTYKNPSA-N -1 0 540.605 5.871 50 30 KKEARM Cc1ccccc1/N=C1\S/C(=C\c2c(Br)cc(Br)c([O-])c2Br)C(=O)N1c1ccccc1C ZINC000008396824 552995912 /nfs/dbraw/zinc/99/59/12/552995912.db2.gz WGEUBCWNDCNCGH-IVIHXUNYSA-N -1 0 637.191 8.105 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000008397573 552997027 /nfs/dbraw/zinc/99/70/27/552997027.db2.gz ZZWZYHZJFBZWLB-UQRQXUALSA-N -1 0 735.212 7.233 50 30 KKEARM CCCCN(CCCC)c1nc(N=NCc2cc(Br)cc(Br)c2[O-])nc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008402461 553006487 /nfs/dbraw/zinc/00/64/87/553006487.db2.gz KBQOVAPEXBWKTR-JFLMPSFJSA-N -1 0 636.349 6.607 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000008433269 553028543 /nfs/dbraw/zinc/02/85/43/553028543.db2.gz HXSACJMVJZYFNY-HSZRJFAPSA-N -1 0 550.633 5.517 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccc(Br)cc1 ZINC000008439946 553036305 /nfs/dbraw/zinc/03/63/05/553036305.db2.gz WGMCTADMNJJVJO-HXUWFJFHSA-N -1 0 536.731 6.904 50 30 KKEARM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008439948 553036312 /nfs/dbraw/zinc/03/63/12/553036312.db2.gz KZILOVKZHBEZGJ-OAQYLSRUSA-N -1 0 532.312 6.259 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000008441137 553039483 /nfs/dbraw/zinc/03/94/83/553039483.db2.gz IJVASGSORHPDMI-SANMLTNESA-N -1 0 574.655 6.761 50 30 KKEARM CN(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000008441258 553039978 /nfs/dbraw/zinc/03/99/78/553039978.db2.gz ARVSIJGXLAEKBO-RUZDIDTESA-N -1 0 568.680 6.426 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccc(OCc3ccccc3)cc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441248 553039996 /nfs/dbraw/zinc/03/99/96/553039996.db2.gz SEPHFPFVQVPFNV-SSEXGKCCSA-N -1 0 631.735 7.939 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008441692 553041522 /nfs/dbraw/zinc/04/15/22/553041522.db2.gz BGCIMKDXSUHNQJ-DEOSSOPVSA-N -1 0 549.435 7.749 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000008441769 553042133 /nfs/dbraw/zinc/04/21/33/553042133.db2.gz GCZRIENQFRUBEI-NDEPHWFRSA-N -1 0 589.698 7.821 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000008441815 553042401 /nfs/dbraw/zinc/04/24/01/553042401.db2.gz PKKBJFNAWUWTRH-SANMLTNESA-N -1 0 553.596 5.963 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2ccccc2F)C1=C([O-])c1cc2ccccc2o1 ZINC000008441799 553042450 /nfs/dbraw/zinc/04/24/50/553042450.db2.gz MZYFPCDFQCTVLS-HHHXNRCGSA-N -1 0 593.661 7.652 50 30 KKEARM CC[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000008454794 553069852 /nfs/dbraw/zinc/06/98/52/553069852.db2.gz GPWOOYKQSMIJBE-SECBINFHSA-N -1 0 563.276 6.966 50 30 KKEARM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000008695607 553122445 /nfs/dbraw/zinc/12/24/45/553122445.db2.gz YMRQHZCVMINGGF-IIMAJNMQSA-N -1 0 515.009 6.414 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008817907 553153125 /nfs/dbraw/zinc/15/31/25/553153125.db2.gz SWENYVAHDMAUDZ-JOCHJYFZSA-N -1 0 518.522 5.014 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008817906 553153168 /nfs/dbraw/zinc/15/31/68/553153168.db2.gz SWENYVAHDMAUDZ-QFIPXVFZSA-N -1 0 518.522 5.014 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000008818024 553153349 /nfs/dbraw/zinc/15/33/49/553153349.db2.gz CEXRSWUHIXTHEW-JOCHJYFZSA-N -1 0 520.538 5.244 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008837622 553164038 /nfs/dbraw/zinc/16/40/38/553164038.db2.gz QKHXDBCNFADIJH-QHCPKHFHSA-N -1 0 504.539 5.626 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000008838074 553164671 /nfs/dbraw/zinc/16/46/71/553164671.db2.gz IWDIHSWTLBPWGB-QFIPXVFZSA-N -1 0 520.538 5.244 50 30 KKEARM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1Br ZINC000008846446 553166251 /nfs/dbraw/zinc/16/62/51/553166251.db2.gz FLCRMGKKLKMMAE-OAQYLSRUSA-N -1 0 500.751 6.333 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008901716 553182266 /nfs/dbraw/zinc/18/22/66/553182266.db2.gz HBXMZNASBQWDKM-JOCHJYFZSA-N -1 0 506.967 5.750 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008903776 553183279 /nfs/dbraw/zinc/18/32/79/553183279.db2.gz OZZDPERDLHETCN-NRFANRHFSA-N -1 0 522.554 5.115 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008905334 553183732 /nfs/dbraw/zinc/18/37/32/553183732.db2.gz LAGAEHJIWSIZLF-QFIPXVFZSA-N -1 0 506.536 5.088 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2C(=O)C=C2[C@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000008952318 553193989 /nfs/dbraw/zinc/19/39/89/553193989.db2.gz FTQDJVZNPJRVPG-QFXXZKNZSA-N -1 0 512.731 6.983 50 30 biogenic KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973901 553195489 /nfs/dbraw/zinc/19/54/89/553195489.db2.gz HILLUZFCIUFNFG-QHCPKHFHSA-N -1 0 520.994 6.140 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000008987994 553196784 /nfs/dbraw/zinc/19/67/84/553196784.db2.gz LCIQDRTVGIVKGQ-FQEVSTJZSA-N -1 0 515.443 7.064 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008173 553198555 /nfs/dbraw/zinc/19/85/55/553198555.db2.gz OSSVOAFQNRIODD-OAQYLSRUSA-N -1 0 506.536 5.088 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000009042329 553202674 /nfs/dbraw/zinc/20/26/74/553202674.db2.gz RGGHHWSGGXDHQG-QFIPXVFZSA-N -1 0 502.523 5.313 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009065073 553205751 /nfs/dbraw/zinc/20/57/51/553205751.db2.gz UHLQQBASEQOHMF-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000009067167 553206446 /nfs/dbraw/zinc/20/64/46/553206446.db2.gz ZFTKLQRTMYAROC-FYJGNVAPSA-N -1 0 514.676 6.195 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000009068248 553206624 /nfs/dbraw/zinc/20/66/24/553206624.db2.gz RQYFQOORJHTBID-OAQYLSRUSA-N -1 0 508.577 5.167 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009160755 553215537 /nfs/dbraw/zinc/21/55/37/553215537.db2.gz UUOHTRFLHDMZFW-HHHXNRCGSA-N -1 0 510.546 6.347 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000009186808 553217870 /nfs/dbraw/zinc/21/78/70/553217870.db2.gz YLSVJLTYAQARPM-XMMPIXPASA-N -1 0 518.591 6.168 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(OC)c3)sc2c1 ZINC000009236872 553225828 /nfs/dbraw/zinc/22/58/28/553225828.db2.gz NTKGWCQYRFSESJ-QFIPXVFZSA-N -1 0 506.967 5.750 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009241431 553226392 /nfs/dbraw/zinc/22/63/92/553226392.db2.gz AQDSNEKBBIFEGK-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)c1 ZINC000009243099 553226855 /nfs/dbraw/zinc/22/68/55/553226855.db2.gz FVTAQPZBPDHCHS-HSZRJFAPSA-N -1 0 506.580 5.122 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C ZINC000009302113 553236127 /nfs/dbraw/zinc/23/61/27/553236127.db2.gz FKWFYUWAFAVQOD-GOSISDBHSA-N -1 0 500.935 5.204 50 30 KKEARM COc1cccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)c1 ZINC000009311186 553239298 /nfs/dbraw/zinc/23/92/98/553239298.db2.gz SAVRJAXDQDNWBI-PRAQEBQASA-N -1 0 514.553 5.600 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000009312823 553240741 /nfs/dbraw/zinc/24/07/41/553240741.db2.gz JNMQBTWWPBFIEI-FQEVSTJZSA-N -1 0 509.356 5.981 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccco1 ZINC000009329387 553242306 /nfs/dbraw/zinc/24/23/06/553242306.db2.gz OCVSHOGNUFZFGR-IBGZPJMESA-N -1 0 509.540 5.051 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccco1 ZINC000009360629 553248589 /nfs/dbraw/zinc/24/85/89/553248589.db2.gz KBNISJHISPYFMC-IBGZPJMESA-N -1 0 509.540 5.051 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000009370593 553250145 /nfs/dbraw/zinc/25/01/45/553250145.db2.gz VUUPIFWUJVYFIC-HXUWFJFHSA-N -1 0 509.356 5.981 50 30 KKEARM [O-]c1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1-c1nc2ccccc2s1 ZINC000009553718 553278525 /nfs/dbraw/zinc/27/85/25/553278525.db2.gz UXWBKIUTUMJRSN-MUFRIFMGSA-N -1 0 515.432 7.478 50 30 KKEARM N#CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 ZINC000009601658 553286796 /nfs/dbraw/zinc/28/67/96/553286796.db2.gz OYVPQDPIRCAHDF-VULFUBBASA-N -1 0 504.590 5.299 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C ZINC000009994091 553324394 /nfs/dbraw/zinc/32/43/94/553324394.db2.gz OGVJAERZKWTLJA-OAQYLSRUSA-N -1 0 522.554 5.033 50 30 KKEARM C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000012559528 553393899 /nfs/dbraw/zinc/39/38/99/553393899.db2.gz VDUIMSYELFBSAE-ZZIIXHQDSA-N -1 0 512.060 5.496 50 30 KKEARM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000013307001 553458423 /nfs/dbraw/zinc/45/84/23/553458423.db2.gz SNYPRNDQJAQRRU-YSURURNPSA-N -1 0 506.581 7.129 50 30 KKEARM C=CCc1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000013748871 553487567 /nfs/dbraw/zinc/48/75/67/553487567.db2.gz DMKOGJQUBGATRT-CJLVFECKSA-N -1 0 519.985 5.137 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)c(C)c1 ZINC000016701029 553574729 /nfs/dbraw/zinc/57/47/29/553574729.db2.gz WUIUQXBVCZQHKB-NRFANRHFSA-N -1 0 522.554 5.033 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000016730283 553576472 /nfs/dbraw/zinc/57/64/72/553576472.db2.gz IWQLOBGCBOXKES-IBGZPJMESA-N -1 0 514.962 5.512 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000016805385 553582804 /nfs/dbraw/zinc/58/28/04/553582804.db2.gz LBZQONRAOMYBRJ-HXUWFJFHSA-N -1 0 510.518 5.164 50 30 KKEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016923203 553583945 /nfs/dbraw/zinc/58/39/45/553583945.db2.gz FLDBNMYJUMAXDQ-TURZUDJPSA-N -1 0 519.648 5.656 50 30 KKEARM N#Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000018115370 553604726 /nfs/dbraw/zinc/60/47/26/553604726.db2.gz VUORRXOQXFTQMI-IIMAJNMQSA-N -1 0 509.537 5.463 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1ccccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018198652 553609681 /nfs/dbraw/zinc/60/96/81/553609681.db2.gz OHSQMYCYKVKTOF-LMKMVOKYSA-N -1 0 516.022 6.552 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccccc1Cl)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198657 553609707 /nfs/dbraw/zinc/60/97/07/553609707.db2.gz OHSQMYCYKVKTOF-PUAOIOHZSA-N -1 0 516.022 6.552 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(=O)[O-])cc1)C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000018198631 553609710 /nfs/dbraw/zinc/60/97/10/553609710.db2.gz XRRATVUXOKDZQE-PPHZAIPVSA-N -1 0 515.562 5.377 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C\c6ccccc6OC)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070697406 553612792 /nfs/dbraw/zinc/61/27/92/553612792.db2.gz QWQHLLFAUQXEKW-MLOJWVHKSA-N -1 0 572.830 9.000 50 30 biogenic KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019938758 553637783 /nfs/dbraw/zinc/63/77/83/553637783.db2.gz CSSITDPKQNXPQD-CBZJRKILSA-N -1 0 501.539 5.687 50 30 KKEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)c1 ZINC000020357566 553642674 /nfs/dbraw/zinc/64/26/74/553642674.db2.gz KARUIJNHIKDQSY-HXUWFJFHSA-N -1 0 512.743 5.584 50 30 KKEARM COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000020035998 553667692 /nfs/dbraw/zinc/66/76/92/553667692.db2.gz HTJGFXUFUKDFDD-UKTHLTGXSA-N -1 0 501.022 8.114 50 30 KKEARM COc1ccc(N2C(=O)[C@]([N-]c3nc4ccccc4s3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000020069751 553676070 /nfs/dbraw/zinc/67/60/70/553676070.db2.gz FMVXFNJHEVGANV-DEOSSOPVSA-N -1 0 501.530 5.708 50 30 KKEARM O=C([O-])C(F)(F)[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095681854 553707967 /nfs/dbraw/zinc/70/79/67/553707967.db2.gz KZUSAXRVIONPJU-GSVOUGTGSA-N -1 0 514.078 5.716 50 30 KKEARM C=C(C)COc1cccc([C@@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)c1 ZINC000096221023 553730174 /nfs/dbraw/zinc/73/01/74/553730174.db2.gz FDFJCJXRVCZZGY-HXUWFJFHSA-N -1 0 502.519 5.227 50 30 biogenic KKEARM CCOc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097940010 553763328 /nfs/dbraw/zinc/76/33/28/553763328.db2.gz NDCFZRYTJPPKGU-GDJIYFAZSA-N -1 0 590.654 5.744 50 30 KKEARM CCOc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccc(OC)cc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000097940265 553764092 /nfs/dbraw/zinc/76/40/92/553764092.db2.gz FYDHCJGJHUGYQN-JVCXMKTPSA-N -1 0 542.577 5.345 50 30 KKEARM C=CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2)cc1OC ZINC000097944954 553770344 /nfs/dbraw/zinc/77/03/44/553770344.db2.gz YUERMIPTWKEQBE-KGENOOAVSA-N -1 0 580.378 5.397 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1C ZINC000097947162 553784094 /nfs/dbraw/zinc/78/40/94/553784094.db2.gz WPFZACQUOSRWRP-WMMMYUQOSA-N -1 0 617.837 8.209 50 30 KKEARM O=C(/C=C1/SC(=S)N(c2cc(Br)c([O-])c(Br)c2)C1=O)c1c[nH]c2ccccc21 ZINC000097947789 553788825 /nfs/dbraw/zinc/78/88/25/553788825.db2.gz ADOMJBQDFDDWES-FRKPEAEDSA-N -1 0 538.242 5.530 50 30 KKEARM CCCCCCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000097951366 553808534 /nfs/dbraw/zinc/80/85/34/553808534.db2.gz XJDSMUXVWBVKCR-UHFFFAOYSA-N -1 0 529.697 6.208 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000097951802 553811402 /nfs/dbraw/zinc/81/14/02/553811402.db2.gz JJVBZKLWXFZYSF-NRFANRHFSA-N -1 0 521.938 5.649 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952169 553813413 /nfs/dbraw/zinc/81/34/13/553813413.db2.gz MYLQSHIWHGURCM-JOCHJYFZSA-N -1 0 519.966 6.203 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097952317 553814729 /nfs/dbraw/zinc/81/47/29/553814729.db2.gz PDENFBWSBBKVTQ-JOCHJYFZSA-N -1 0 537.410 6.543 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000097952572 553816668 /nfs/dbraw/zinc/81/66/68/553816668.db2.gz CBLPFCZBWJSPQG-RUZDIDTESA-N -1 0 539.613 5.719 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097955011 553827513 /nfs/dbraw/zinc/82/75/13/553827513.db2.gz JPMUENKNBUIAFD-JBEBIEQOSA-N -1 0 543.557 5.319 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097955078 553828397 /nfs/dbraw/zinc/82/83/97/553828397.db2.gz JPMNYKVBWSIGRX-SANMLTNESA-N -1 0 622.696 5.760 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCC=C)c(OCC)c2)nc1C ZINC000097955208 553829864 /nfs/dbraw/zinc/82/98/64/553829864.db2.gz GHQMOSNRYCYSES-SANMLTNESA-N -1 0 618.664 5.312 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955283 553830561 /nfs/dbraw/zinc/83/05/61/553830561.db2.gz CLJYVZNARKAVQD-BSEYFRJRSA-N -1 0 533.005 6.065 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955281 553830611 /nfs/dbraw/zinc/83/06/11/553830611.db2.gz CLJYVZNARKAVQD-JBEBIEQOSA-N -1 0 533.005 6.065 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000097955638 553832550 /nfs/dbraw/zinc/83/25/50/553832550.db2.gz MFISSRQSOXHHDR-ZAMGYDSWSA-N -1 0 520.969 6.195 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955641 553832580 /nfs/dbraw/zinc/83/25/80/553832580.db2.gz XLCWGWZAAIEWAZ-JBEBIEQOSA-N -1 0 533.005 6.065 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C ZINC000097955740 553833533 /nfs/dbraw/zinc/83/35/33/553833533.db2.gz UPOYRDYLGPRMFH-JLCFBVMHSA-N -1 0 534.565 5.040 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955742 553833552 /nfs/dbraw/zinc/83/35/52/553833552.db2.gz UVVKOCZHHIHNEV-JCQPUDPBSA-N -1 0 520.969 6.195 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)nc1C ZINC000097955741 553833594 /nfs/dbraw/zinc/83/35/94/553833594.db2.gz UPOYRDYLGPRMFH-PEBXRYMYSA-N -1 0 534.565 5.040 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000097955743 553833644 /nfs/dbraw/zinc/83/36/44/553833644.db2.gz UVVKOCZHHIHNEV-ZAMGYDSWSA-N -1 0 520.969 6.195 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097956783 553841861 /nfs/dbraw/zinc/84/18/61/553841861.db2.gz NTXBNJNJSYHNIM-VWLOTQADSA-N -1 0 570.623 6.130 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC=C)c(C)c3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000097956877 553842965 /nfs/dbraw/zinc/84/29/65/553842965.db2.gz DTELDXNDMWEIEO-HSZRJFAPSA-N -1 0 565.047 6.104 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OCC=C)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000097956886 553842970 /nfs/dbraw/zinc/84/29/70/553842970.db2.gz VAPMJTSSWBEJHV-VWLOTQADSA-N -1 0 574.655 5.849 50 30 KKEARM O=C(Nc1cccc2ccccc21)c1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1 ZINC000097958700 553857051 /nfs/dbraw/zinc/85/70/51/553857051.db2.gz TXSISHNRTZAXPJ-MZJWZYIUSA-N -1 0 618.212 6.758 50 30 KKEARM COc1ccc(-c2oc(/N=C/c3cc(Br)c([O-])cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000097958854 553858402 /nfs/dbraw/zinc/85/84/02/553858402.db2.gz SUAPBAXSENGBOZ-IPPBACCNSA-N -1 0 519.351 6.427 50 30 KKEARM Cc1c(/N=C/c2cc(I)cc(I)c2[O-])cccc1-c1nc2ccccc2o1 ZINC000097958981 553859383 /nfs/dbraw/zinc/85/93/83/553859383.db2.gz BLUZTELMABAKOW-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000097959422 553863653 /nfs/dbraw/zinc/86/36/53/553863653.db2.gz JSORKRCJZPYFBN-UQRQXUALSA-N -1 0 690.215 7.325 50 30 KKEARM Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000097960138 553868600 /nfs/dbraw/zinc/86/86/00/553868600.db2.gz BDAURYUVJOWYCI-JQDPYBPBSA-N -1 0 586.511 7.359 50 30 KKEARM C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000097960426 553871709 /nfs/dbraw/zinc/87/17/09/553871709.db2.gz NWKIJCIMXJJVHV-NIWUFKNHSA-N -1 0 608.691 7.644 50 30 KKEARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000097960617 553873030 /nfs/dbraw/zinc/87/30/30/553873030.db2.gz OFGRZAQYCQPCLB-CIAFOILYSA-N -1 0 532.350 5.415 50 30 KKEARM C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000097960620 553873037 /nfs/dbraw/zinc/87/30/37/553873037.db2.gz YXXPGFCECXMYMO-OQLLNIDSSA-N -1 0 538.725 5.025 50 30 KKEARM COc1ccccc1/N=C1\S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N1c1ccccc1OC ZINC000097960800 553873383 /nfs/dbraw/zinc/87/33/83/553873383.db2.gz FZXACPMPMZLUFD-QNQJOHRQSA-N -1 0 526.570 6.471 50 30 KKEARM CCC(C)(C)c1ccc(CC(=O)Nc2ccc(C(=O)NC3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)/C3=N\[O-])cc2)c(C(C)(C)CC)c1 ZINC000097962958 553886083 /nfs/dbraw/zinc/88/60/83/553886083.db2.gz LYVXHGNKCWCHAJ-DUJXHPOHSA-N -1 0 685.052 8.124 50 30 KKEARM CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000097966171 553907406 /nfs/dbraw/zinc/90/74/06/553907406.db2.gz BJEVIXDRCUQESE-PZYRRFEBSA-N -1 0 538.787 5.847 50 30 KKEARM CN1CCc2c(sc(/N=C/c3cc(I)cc(I)c3[O-])c2C(=O)OC(C)(C)C)C1 ZINC000097966340 553908445 /nfs/dbraw/zinc/90/84/45/553908445.db2.gz KEBVSQSXNANUBB-NUGSKGIGSA-N -1 0 624.282 5.357 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967002 553912675 /nfs/dbraw/zinc/91/26/75/553912675.db2.gz RFLZQIAGGXAJIO-HHHXNRCGSA-N -1 0 614.676 6.013 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000097967176 553914793 /nfs/dbraw/zinc/91/47/93/553914793.db2.gz MRGHJOHWWRPMKP-MGBGTMOVSA-N -1 0 672.759 8.257 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967242 553915754 /nfs/dbraw/zinc/91/57/54/553915754.db2.gz OWCZTBZZPCETNO-PMERELPUSA-N -1 0 606.656 7.041 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)ccc1O ZINC000097967255 553915890 /nfs/dbraw/zinc/91/58/90/553915890.db2.gz NVOBFLMRNJRDTH-HHHXNRCGSA-N -1 0 614.676 6.013 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OCC ZINC000097967269 553916371 /nfs/dbraw/zinc/91/63/71/553916371.db2.gz JFIHGISKMZVRQQ-GDLZYMKVSA-N -1 0 635.138 7.472 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967266 553916391 /nfs/dbraw/zinc/91/63/91/553916391.db2.gz UCUBHESGQFBZIC-QUGAMOGWSA-N -1 0 620.152 6.989 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000097967310 553916680 /nfs/dbraw/zinc/91/66/80/553916680.db2.gz DZENTNQWFCVRFB-HEIROHQZSA-N -1 0 661.805 7.824 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097967344 553917154 /nfs/dbraw/zinc/91/71/54/553917154.db2.gz DFEOEXJTMFPHGM-KCWXNJEJSA-N -1 0 627.788 7.424 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000097967341 553917244 /nfs/dbraw/zinc/91/72/44/553917244.db2.gz QFFHWUHQLOITMN-PMERELPUSA-N -1 0 654.741 6.872 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967363 553917683 /nfs/dbraw/zinc/91/76/83/553917683.db2.gz RXSXRMPGJGOMKV-WRHNGFHOSA-N -1 0 664.205 7.388 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967504 553919375 /nfs/dbraw/zinc/91/93/75/553919375.db2.gz NBCMWMRHEFYBPT-HUBRWUETSA-N -1 0 707.874 8.668 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967521 553919760 /nfs/dbraw/zinc/91/97/60/553919760.db2.gz UPIFVRZCAYIMPN-AOXBRHMESA-N -1 0 721.901 8.914 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000097967522 553919794 /nfs/dbraw/zinc/91/97/94/553919794.db2.gz UPIFVRZCAYIMPN-CGDLVVIGSA-N -1 0 721.901 8.914 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967606 553920489 /nfs/dbraw/zinc/92/04/89/553920489.db2.gz YFLJRCRWEHLJFX-ACSYHNTCSA-N -1 0 645.778 7.501 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097967602 553920585 /nfs/dbraw/zinc/92/05/85/553920585.db2.gz UBDJPFNAJVDIDI-ACSYHNTCSA-N -1 0 662.233 8.015 50 30 KKEARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000033293964 553920732 /nfs/dbraw/zinc/92/07/32/553920732.db2.gz GACPBRFYLUPENN-PDGQHHTCSA-N -1 0 504.612 5.717 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967618 553920940 /nfs/dbraw/zinc/92/09/40/553920940.db2.gz MSGYGRNGFPCIAK-GTJPDFRWSA-N -1 0 629.485 5.211 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097967655 553921397 /nfs/dbraw/zinc/92/13/97/553921397.db2.gz LZRYSKVQLKYAJP-DWXRJYCRSA-N -1 0 585.707 6.254 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000097967686 553921848 /nfs/dbraw/zinc/92/18/48/553921848.db2.gz WSXWKYRSCBLMHF-JIYROHSKSA-N -1 0 685.868 8.069 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccnc2)nc1C ZINC000097967769 553923040 /nfs/dbraw/zinc/92/30/40/553923040.db2.gz FTASXGOZOJOBOQ-XMMPIXPASA-N -1 0 555.612 5.303 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCCC(C)C ZINC000097967823 553923645 /nfs/dbraw/zinc/92/36/45/553923645.db2.gz TYNPTQDHOILHJX-SSEXGKCCSA-N -1 0 691.803 7.347 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097967849 553924117 /nfs/dbraw/zinc/92/41/17/553924117.db2.gz VUOHDBJGJHSMNN-RBSBEOHCSA-N -1 0 712.677 8.431 50 30 KKEARM O=C([N-]C1CCCCC1)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000033353315 553924422 /nfs/dbraw/zinc/92/44/22/553924422.db2.gz ISCZNBWWHGRPCR-WCBMZHEXSA-N -1 0 577.231 6.308 50 30 KKEARM C[C@@H]1CCC[C@H](C)N1c1nc(N=NCc2cccc([N+](=O)[O-])c2[O-])nc(N(c2ccccc2)c2ccccc2)n1 ZINC000033353335 553924519 /nfs/dbraw/zinc/92/45/19/553924519.db2.gz WKCAIEXFIOELPP-IMCXOGCVSA-N -1 0 538.612 6.169 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097967895 553924938 /nfs/dbraw/zinc/92/49/38/553924938.db2.gz GWXTVVNYTLHPRU-SANMLTNESA-N -1 0 668.580 7.256 50 30 KKEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097967914 553924985 /nfs/dbraw/zinc/92/49/85/553924985.db2.gz MJACMWCNKSALDP-SANMLTNESA-N -1 0 654.597 7.815 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967939 553925461 /nfs/dbraw/zinc/92/54/61/553925461.db2.gz AOBHFDSGMBLJGL-NDEPHWFRSA-N -1 0 647.750 6.949 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968021 553926675 /nfs/dbraw/zinc/92/66/75/553926675.db2.gz LZIYXHLXQALPHM-SSEXGKCCSA-N -1 0 649.750 6.964 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097968047 553927143 /nfs/dbraw/zinc/92/71/43/553927143.db2.gz AQAXVAHUTIQKJC-LJAQVGFWSA-N -1 0 694.231 7.616 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097968075 553927425 /nfs/dbraw/zinc/92/74/25/553927425.db2.gz SFGQTMNXTYLUAO-SANMLTNESA-N -1 0 592.670 5.786 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968110 553927989 /nfs/dbraw/zinc/92/79/89/553927989.db2.gz WHKFJHXJUSXTKU-PMERELPUSA-N -1 0 651.766 7.327 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968133 553927995 /nfs/dbraw/zinc/92/79/95/553927995.db2.gz PEUOMTJWLVRVPL-SANMLTNESA-N -1 0 599.690 5.949 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097968188 553928624 /nfs/dbraw/zinc/92/86/24/553928624.db2.gz YCVIAAHSRVAXCP-SSEXGKCCSA-N -1 0 649.750 7.103 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc(Cl)c3)s2)cc1 ZINC000097968193 553928673 /nfs/dbraw/zinc/92/86/73/553928673.db2.gz KDUXCQLNFPCQDX-DEOSSOPVSA-N -1 0 592.098 6.346 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968217 553929168 /nfs/dbraw/zinc/92/91/68/553929168.db2.gz RPTUOCPKZWPEEX-NDEPHWFRSA-N -1 0 698.650 8.260 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968248 553929638 /nfs/dbraw/zinc/92/96/38/553929638.db2.gz AFARTXWHXQXXBD-RUZDIDTESA-N -1 0 605.669 5.922 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097968255 553929659 /nfs/dbraw/zinc/92/96/59/553929659.db2.gz BUYXYRYKBAOYBW-MHZLTWQESA-N -1 0 633.723 6.703 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097968322 553930286 /nfs/dbraw/zinc/93/02/86/553930286.db2.gz STUACRWXCGLULW-VKGTZQKMSA-N -1 0 634.751 6.702 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000097968334 553930722 /nfs/dbraw/zinc/93/07/22/553930722.db2.gz XFPJLLJNVZNYBO-MHZLTWQESA-N -1 0 606.697 6.032 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000097968376 553931168 /nfs/dbraw/zinc/93/11/68/553931168.db2.gz WJOFJUSIWLHHAV-QTEAWJPNSA-N -1 0 726.704 8.821 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000097968377 553931191 /nfs/dbraw/zinc/93/11/91/553931191.db2.gz NMRUTGQHEPNSQZ-RUZDIDTESA-N -1 0 562.644 5.777 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968385 553931892 /nfs/dbraw/zinc/93/18/92/553931892.db2.gz KICWYYPJCWGRMX-HSZRJFAPSA-N -1 0 612.516 6.691 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097968392 553932016 /nfs/dbraw/zinc/93/20/16/553932016.db2.gz ZFDHVNXXVPOGMI-JMQGSBJISA-N -1 0 609.704 7.229 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969164 553937548 /nfs/dbraw/zinc/93/75/48/553937548.db2.gz VILAKKIEPVUFTC-NDEPHWFRSA-N -1 0 658.729 6.324 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097969194 553937813 /nfs/dbraw/zinc/93/78/13/553937813.db2.gz NUSWFWKZBZNRLE-OLILMLBXSA-N -1 0 662.233 8.159 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969244 553938193 /nfs/dbraw/zinc/93/81/93/553938193.db2.gz SBZJIAGMQCPIMT-HMILPKGGSA-N -1 0 631.751 7.255 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969226 553938267 /nfs/dbraw/zinc/93/82/67/553938267.db2.gz MBVPNRQPYLXGBK-HHHXNRCGSA-N -1 0 644.702 5.934 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000097969332 553939574 /nfs/dbraw/zinc/93/95/74/553939574.db2.gz DURRCBRGTBIONN-JBEBIEQOSA-N -1 0 577.456 6.174 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000097969331 553939647 /nfs/dbraw/zinc/93/96/47/553939647.db2.gz DURRCBRGTBIONN-BSEYFRJRSA-N -1 0 577.456 6.174 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969357 553940065 /nfs/dbraw/zinc/94/00/65/553940065.db2.gz QUSXHHOYRTUXTC-ACSYHNTCSA-N -1 0 662.233 8.015 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000097969576 553942636 /nfs/dbraw/zinc/94/26/36/553942636.db2.gz VSJXUWWXBUDXBC-FYSMJZIKSA-N -1 0 559.644 6.076 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2ccc(OCCCC)c(OCC)c2)nc1C ZINC000097969610 553942901 /nfs/dbraw/zinc/94/29/01/553942901.db2.gz GHLYONRGFSKFJU-HHHXNRCGSA-N -1 0 634.707 5.926 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC)c2)nc1C ZINC000097969639 553943407 /nfs/dbraw/zinc/94/34/07/553943407.db2.gz BSCVITUIORJHOX-XMMPIXPASA-N -1 0 576.627 5.137 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969711 553943747 /nfs/dbraw/zinc/94/37/47/553943747.db2.gz OIBTWMBFKZFNCJ-WJOKGBTCSA-N -1 0 636.682 6.447 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097969773 553944504 /nfs/dbraw/zinc/94/45/04/553944504.db2.gz DISQCVSQOMEVOF-WRONEBCDSA-N -1 0 641.771 6.900 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969776 553944629 /nfs/dbraw/zinc/94/46/29/553944629.db2.gz DTZRQOHKMWMERM-MRDQGFSESA-N -1 0 603.697 6.475 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097969797 553944917 /nfs/dbraw/zinc/94/49/17/553944917.db2.gz YHCBRCGWUKOMAX-ACSYHNTCSA-N -1 0 645.778 7.645 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969826 553945621 /nfs/dbraw/zinc/94/56/21/553945621.db2.gz OWHLHBIBEKTIQW-QUGAMOGWSA-N -1 0 620.152 6.989 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969929 553946921 /nfs/dbraw/zinc/94/69/21/553946921.db2.gz RNNWUVCNSWVOAV-SHACYNPGSA-N -1 0 561.015 5.843 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000097969931 553947393 /nfs/dbraw/zinc/94/73/93/553947393.db2.gz RNNWUVCNSWVOAV-LFPIHBKWSA-N -1 0 561.015 5.843 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000097969949 553947440 /nfs/dbraw/zinc/94/74/40/553947440.db2.gz JAGFUGMDQSLALB-YTTGMZPUSA-N -1 0 650.709 6.837 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000097970017 553948157 /nfs/dbraw/zinc/94/81/57/553948157.db2.gz WVGIFWNHSUAYPB-LJAQVGFWSA-N -1 0 640.714 6.482 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000097970009 553948250 /nfs/dbraw/zinc/94/82/50/553948250.db2.gz XCXVNGFHBWUOPR-URAOTHONSA-N -1 0 655.798 7.209 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970085 553948930 /nfs/dbraw/zinc/94/89/30/553948930.db2.gz NTIWBJYMIOKGIL-CLYVBNDRSA-N -1 0 634.179 7.379 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097970059 553948972 /nfs/dbraw/zinc/94/89/72/553948972.db2.gz NNCXIDOEKGINQL-QYBDOPJKSA-N -1 0 613.717 6.032 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097970083 553949091 /nfs/dbraw/zinc/94/90/91/553949091.db2.gz NTIWBJYMIOKGIL-MYUZEXMDSA-N -1 0 634.179 7.379 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970249 553951589 /nfs/dbraw/zinc/95/15/89/553951589.db2.gz MHLZOTAOWYRUMM-VKGTZQKMSA-N -1 0 631.751 7.255 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970288 553951954 /nfs/dbraw/zinc/95/19/54/553951954.db2.gz QKPOOZSRHXJWID-SGANQWHYSA-N -1 0 668.580 7.030 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970302 553951966 /nfs/dbraw/zinc/95/19/66/553951966.db2.gz SLPZXFOCVZWNEF-AFJIDDCJSA-N -1 0 645.778 7.501 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000097970289 553952130 /nfs/dbraw/zinc/95/21/30/553952130.db2.gz QKPOOZSRHXJWID-ODCWNRFASA-N -1 0 668.580 7.030 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000097970423 553953818 /nfs/dbraw/zinc/95/38/18/553953818.db2.gz FBPLCFWUZIQWGS-DLUDVSRJSA-N -1 0 593.057 6.082 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097970419 553953828 /nfs/dbraw/zinc/95/38/28/553953828.db2.gz XUDSBENVHAIAHX-XMHCIUCPSA-N -1 0 641.496 5.377 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970453 553954203 /nfs/dbraw/zinc/95/42/03/553954203.db2.gz ZBRAWKBUSFEZJG-ICACTRECSA-N -1 0 663.821 8.269 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970476 553954533 /nfs/dbraw/zinc/95/45/33/553954533.db2.gz BZLPTEFJJCHWLY-WHLCRQNOSA-N -1 0 648.206 7.769 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970484 553954577 /nfs/dbraw/zinc/95/45/77/553954577.db2.gz VVDLXOGUDOGWEI-ROTAYESASA-N -1 0 647.778 7.655 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097970482 553954666 /nfs/dbraw/zinc/95/46/66/553954666.db2.gz VVDLXOGUDOGWEI-UKPGIYTDSA-N -1 0 647.778 7.655 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000097970615 553956658 /nfs/dbraw/zinc/95/66/58/553956658.db2.gz QOUZDBZMIDPHES-DNOBIOAJSA-N -1 0 620.724 6.312 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970646 553957105 /nfs/dbraw/zinc/95/71/05/553957105.db2.gz FPQWFEQPZUUKFO-AFJIDDCJSA-N -1 0 645.778 7.645 50 30 KKEARM Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)cc(Br)c4[O-])c23)cc1 ZINC000033358644 553957427 /nfs/dbraw/zinc/95/74/27/553957427.db2.gz ACFRRCXROGWADM-ZNLRHDTNSA-N -1 0 518.234 6.343 50 30 KKEARM CCCCCCCCOc1ccc([C@H](CC(=O)OC)c2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc32)cc1 ZINC000097972095 553966063 /nfs/dbraw/zinc/96/60/63/553966063.db2.gz ZUXBPVNAONRSCD-MHZLTWQESA-N -1 0 544.644 7.306 50 30 biogenic KKEARM CCCCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)c1ccccc21 ZINC000097985247 554022129 /nfs/dbraw/zinc/02/21/29/554022129.db2.gz HCYGROVMEQPMFG-UHFFFAOYSA-N -1 0 570.667 7.541 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])cc(Br)c3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000098001380 554052518 /nfs/dbraw/zinc/05/25/18/554052518.db2.gz FUYJWFHUKKRSIP-DHRITJCHSA-N -1 0 551.361 5.190 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCC)c(C)c3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000098046331 554137919 /nfs/dbraw/zinc/13/79/19/554137919.db2.gz CMVJBPCETGTBFN-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@H]2c2ccccc2F)nc1C ZINC000098046326 554138037 /nfs/dbraw/zinc/13/80/37/554138037.db2.gz WKRRQPASHAIKMB-HSZRJFAPSA-N -1 0 550.608 5.814 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000098046426 554138924 /nfs/dbraw/zinc/13/89/24/554138924.db2.gz VQZFPVPHVPKXRV-RUZDIDTESA-N -1 0 654.583 7.694 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000098046482 554139345 /nfs/dbraw/zinc/13/93/45/554139345.db2.gz IHWKUBJZFXGOBQ-RUZDIDTESA-N -1 0 654.583 7.694 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098046466 554139484 /nfs/dbraw/zinc/13/94/84/554139484.db2.gz IZBHNXDZMVVQEM-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046462 554139490 /nfs/dbraw/zinc/13/94/90/554139490.db2.gz AEMDFLKQVKZIHP-RUZDIDTESA-N -1 0 626.587 8.099 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000098046527 554140267 /nfs/dbraw/zinc/14/02/67/554140267.db2.gz BVWZVJZTHHOMGK-RUZDIDTESA-N -1 0 569.664 6.677 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1F ZINC000098046514 554140367 /nfs/dbraw/zinc/14/03/67/554140367.db2.gz MUWOEAFZDYTSRQ-MGBGTMOVSA-N -1 0 689.790 8.493 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000098046612 554141656 /nfs/dbraw/zinc/14/16/56/554141656.db2.gz DYQYLAWTNSIDDT-RUZDIDTESA-N -1 0 563.031 6.293 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046661 554141994 /nfs/dbraw/zinc/14/19/94/554141994.db2.gz OMQBYGWVLXTHBT-OAQYLSRUSA-N -1 0 551.577 5.108 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4cccc(OC)c4o3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098046642 554142051 /nfs/dbraw/zinc/14/20/51/554142051.db2.gz AVNKWCGFJKKTJX-IBGZPJMESA-N -1 0 538.965 5.429 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccs2)nc1C ZINC000098046690 554142346 /nfs/dbraw/zinc/14/23/46/554142346.db2.gz RCOGPTVTOVZDRR-QHCPKHFHSA-N -1 0 560.653 5.970 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@@H]3c3cccs3)cc2)c1 ZINC000098046693 554142374 /nfs/dbraw/zinc/14/23/74/554142374.db2.gz BNOGQYXQNXVPLQ-WJOKGBTCSA-N -1 0 661.830 8.715 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3cccs3)cc2)c1 ZINC000098046692 554142450 /nfs/dbraw/zinc/14/24/50/554142450.db2.gz DJYYNCKXJGUTJD-MHZLTWQESA-N -1 0 629.760 7.701 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccc(Br)c2)s1 ZINC000098046678 554142468 /nfs/dbraw/zinc/14/24/68/554142468.db2.gz XRRNHWWTPCOJSK-DEOSSOPVSA-N -1 0 576.472 6.279 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000098046710 554142810 /nfs/dbraw/zinc/14/28/10/554142810.db2.gz WWKZJINWBZLDOU-QHCPKHFHSA-N -1 0 577.615 5.664 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccc(O)cc2)nc1C ZINC000098046696 554142842 /nfs/dbraw/zinc/14/28/42/554142842.db2.gz OYZOXOGNEPPRDN-VWLOTQADSA-N -1 0 570.623 5.614 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2cccnc2)C1=C([O-])c1ccccc1 ZINC000098046840 554144034 /nfs/dbraw/zinc/14/40/34/554144034.db2.gz MLMHKXOYPYJJHZ-HXUWFJFHSA-N -1 0 521.023 5.662 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccnc3)s2)cc1 ZINC000098046838 554144208 /nfs/dbraw/zinc/14/42/08/554144208.db2.gz OYVCLBXXSYSBLJ-OAQYLSRUSA-N -1 0 535.050 5.970 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1F ZINC000098047253 554148429 /nfs/dbraw/zinc/14/84/29/554148429.db2.gz IMLLLAVAQCDYJE-GDLZYMKVSA-N -1 0 639.730 7.862 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OC ZINC000098047289 554148874 /nfs/dbraw/zinc/14/88/74/554148874.db2.gz WRAWZMZYHBOSSO-XMMPIXPASA-N -1 0 550.633 5.633 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047297 554148902 /nfs/dbraw/zinc/14/89/02/554148902.db2.gz BYOCFQJZYXEORY-AREMUKBSSA-N -1 0 613.648 6.207 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047348 554149546 /nfs/dbraw/zinc/14/95/46/554149546.db2.gz IWYXEXXMJVOLMG-HHHXNRCGSA-N -1 0 635.739 6.949 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccccc2)cc1 ZINC000098047358 554149583 /nfs/dbraw/zinc/14/95/83/554149583.db2.gz UNYOAPIRAMTDHG-RUZDIDTESA-N -1 0 592.142 7.446 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000098047343 554149624 /nfs/dbraw/zinc/14/96/24/554149624.db2.gz HHMGKYGEMDCBEW-VWLOTQADSA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000098047335 554149640 /nfs/dbraw/zinc/14/96/40/554149640.db2.gz LPPNHSXCTDHGLS-MHZLTWQESA-N -1 0 619.740 7.330 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000098047370 554150130 /nfs/dbraw/zinc/15/01/30/554150130.db2.gz OGRGTXCZMUMUGJ-XMMPIXPASA-N -1 0 558.685 6.187 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccc(OCCCC)cc2)cc1 ZINC000098047413 554150324 /nfs/dbraw/zinc/15/03/24/554150324.db2.gz DUGGPUPFOLCMKR-LJAQVGFWSA-N -1 0 629.804 7.971 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047465 554151359 /nfs/dbraw/zinc/15/13/59/554151359.db2.gz MVBFEUCFTAAZFD-SANMLTNESA-N -1 0 650.178 7.232 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047505 554151722 /nfs/dbraw/zinc/15/17/22/554151722.db2.gz LALRWFWYSDVUDO-AREMUKBSSA-N -1 0 633.723 6.718 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047495 554151783 /nfs/dbraw/zinc/15/17/83/554151783.db2.gz RJVHVTHLZURKSH-JGCGQSQUSA-N -1 0 681.811 8.510 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047492 554151846 /nfs/dbraw/zinc/15/18/46/554151846.db2.gz QLOYZZBRQPVIPV-QHCPKHFHSA-N -1 0 578.643 5.377 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000098047532 554152217 /nfs/dbraw/zinc/15/22/17/554152217.db2.gz WFEWIGAQXGEMOE-JGCGQSQUSA-N -1 0 722.329 9.413 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000098047574 554152942 /nfs/dbraw/zinc/15/29/42/554152942.db2.gz SCKZASBDWDHFBZ-YTTGMZPUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000098047618 554153427 /nfs/dbraw/zinc/15/34/27/554153427.db2.gz CWWPAMMHLNCKLT-YTTGMZPUSA-N -1 0 687.884 8.534 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047612 554153468 /nfs/dbraw/zinc/15/34/68/554153468.db2.gz AUKANFMTPMIJNM-SANMLTNESA-N -1 0 589.714 7.240 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047621 554153644 /nfs/dbraw/zinc/15/36/44/554153644.db2.gz XGXXOSMWJBCIPP-MUUNZHRXSA-N -1 0 631.776 7.118 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000098047649 554153868 /nfs/dbraw/zinc/15/38/68/554153868.db2.gz ADCVKBMEEPUXPY-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098047630 554153936 /nfs/dbraw/zinc/15/39/36/554153936.db2.gz DREFRSCOSXTRFW-VWLOTQADSA-N -1 0 593.677 7.070 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000098047639 554153944 /nfs/dbraw/zinc/15/39/44/554153944.db2.gz IFZVUVWXDGRIHF-HHHXNRCGSA-N -1 0 665.765 6.957 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047748 554155400 /nfs/dbraw/zinc/15/54/00/554155400.db2.gz XXRCWPLVGDLVSB-MHZLTWQESA-N -1 0 581.694 7.522 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000098047763 554155777 /nfs/dbraw/zinc/15/57/77/554155777.db2.gz XHZOAYXLHNQCDF-HHHXNRCGSA-N -1 0 640.699 6.692 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000098047765 554155786 /nfs/dbraw/zinc/15/57/86/554155786.db2.gz YJCFYJJCCXHLKF-HHHXNRCGSA-N -1 0 674.598 7.546 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccccc2F)cc1OC ZINC000098047782 554155889 /nfs/dbraw/zinc/15/58/89/554155889.db2.gz NRXNXFCGBHZYBH-MHZLTWQESA-N -1 0 613.692 6.923 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047800 554156181 /nfs/dbraw/zinc/15/61/81/554156181.db2.gz IZHKRGDXJZWTMQ-PMERELPUSA-N -1 0 669.781 7.191 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047790 554156199 /nfs/dbraw/zinc/15/61/99/554156199.db2.gz HTICTZBGZVGKJP-PMERELPUSA-N -1 0 651.766 7.349 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047805 554156409 /nfs/dbraw/zinc/15/64/09/554156409.db2.gz KDZNUHCWUKDEBP-MUUNZHRXSA-N -1 0 625.728 6.792 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCCC(C)C ZINC000098047822 554156689 /nfs/dbraw/zinc/15/66/89/554156689.db2.gz JXYNKOWAFQDIDE-YTTGMZPUSA-N -1 0 683.827 8.648 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(F)cc2)cc1F ZINC000098047847 554156697 /nfs/dbraw/zinc/15/66/97/554156697.db2.gz YUKGOENNJKUOSY-AREMUKBSSA-N -1 0 585.657 7.353 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000098047893 554157230 /nfs/dbraw/zinc/15/72/30/554157230.db2.gz FEZYARZZXQBEKB-RUZDIDTESA-N -1 0 599.621 5.817 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000098048933 554162317 /nfs/dbraw/zinc/16/23/17/554162317.db2.gz DEDPFPCMEVYSII-NDEPHWFRSA-N -1 0 662.818 8.207 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4c(Cl)cccc4Cl)c3=O)n2)cc1 ZINC000100005868 554178006 /nfs/dbraw/zinc/17/80/06/554178006.db2.gz SIUJXQGXOJUZKV-WMMMYUQOSA-N -1 0 567.414 6.253 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4c(Cl)cc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000100005927 554178010 /nfs/dbraw/zinc/17/80/10/554178010.db2.gz RMWOKNCIRDSKIY-UQRQXUALSA-N -1 0 556.862 6.998 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000100006024 554178311 /nfs/dbraw/zinc/17/83/11/554178311.db2.gz ALVQXIDGWIDTDJ-FAJYDZGRSA-N -1 0 532.969 5.599 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4cccc(Cl)c4C)c3=O)n2)cc1 ZINC000100006056 554178324 /nfs/dbraw/zinc/17/83/24/554178324.db2.gz YKQHAXNONXHKBR-KRUMMXJUSA-N -1 0 501.999 6.000 50 30 KKEARM Cc1cccc2oc(-c3cccc(/N=C/c4cc(I)cc(I)c4[O-])c3)nc21 ZINC000100033584 554187343 /nfs/dbraw/zinc/18/73/43/554187343.db2.gz WHCLUPSOIMYKGW-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM CCCCCCCC[N-]C(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100045911 554193507 /nfs/dbraw/zinc/19/35/07/554193507.db2.gz GVNXTSFNUSLHNK-CMPLNLGQSA-N -1 0 607.301 7.336 50 30 KKEARM CCCCCCCC[N-]C(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000100045913 554193583 /nfs/dbraw/zinc/19/35/83/554193583.db2.gz GVNXTSFNUSLHNK-ZYHUDNBSSA-N -1 0 607.301 7.336 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N/c3ccc(Cl)c(C(=O)[O-])c3)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000100083786 554207830 /nfs/dbraw/zinc/20/78/30/554207830.db2.gz BAPFJNJFLHTFAF-JFLMPSFJSA-N -1 0 559.043 7.061 50 30 KKEARM CN=C(Nc1cc(Cl)c([O-])c(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000100092320 554212694 /nfs/dbraw/zinc/21/26/94/554212694.db2.gz BHIBTDBQSBPKCI-CQSZACIVSA-N -1 0 524.760 5.330 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100149464 554231245 /nfs/dbraw/zinc/23/12/45/554231245.db2.gz SGOKKMGXJRNIFT-QFMPWRQOSA-N -1 0 514.010 6.194 50 30 KKEARM CC(C)CC(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100230039 554255590 /nfs/dbraw/zinc/25/55/90/554255590.db2.gz XSDVRBYPXOEYHM-AREMUKBSSA-N -1 0 560.691 5.607 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)S/C2=N/c2ccccc2)cc1 ZINC000100236202 554258346 /nfs/dbraw/zinc/25/83/46/554258346.db2.gz AJHQVFISCRIBFO-KSQBUFKRSA-N -1 0 545.016 7.111 50 30 KKEARM COc1ccc(CCN2C(=O)C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1OC ZINC000100307830 554296354 /nfs/dbraw/zinc/29/63/54/554296354.db2.gz MCXVRROGDUZYPQ-UCSRTCPSSA-N -1 0 568.051 5.258 50 30 KKEARM CCCCCCCCCCCCCCCCCCN(C)c1ccc(S(=O)(=O)[O-])cc1NC(=O)c1ccc2ccccc2c1O ZINC000100308904 554297850 /nfs/dbraw/zinc/29/78/50/554297850.db2.gz UGGBEBIJLHFSIP-UHFFFAOYSA-N -1 0 624.888 9.742 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053290168 554331125 /nfs/dbraw/zinc/33/11/25/554331125.db2.gz UZIDWSNWWMEQIF-JOCHJYFZSA-N -1 0 536.338 5.099 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306049 554333084 /nfs/dbraw/zinc/33/30/84/554333084.db2.gz LBJBLJGVRHKYTR-XMMPIXPASA-N -1 0 559.556 5.157 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306048 554333198 /nfs/dbraw/zinc/33/31/98/554333198.db2.gz LBJBLJGVRHKYTR-DEOSSOPVSA-N -1 0 559.556 5.157 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053306121 554333267 /nfs/dbraw/zinc/33/32/67/554333267.db2.gz JOQZPHZXOWDGNA-QFIPXVFZSA-N -1 0 535.965 6.040 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2cccc(Br)c2)nc1C ZINC000053307807 554335460 /nfs/dbraw/zinc/33/54/60/554335460.db2.gz RISMILBXXPONDH-FQEVSTJZSA-N -1 0 571.449 5.491 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319169 554336266 /nfs/dbraw/zinc/33/62/66/554336266.db2.gz JEEJRBWSDIVTKI-NRFANRHFSA-N -1 0 521.938 5.649 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000053319264 554336741 /nfs/dbraw/zinc/33/67/41/554336741.db2.gz GTMLXPDRDOIMPR-NRFANRHFSA-N -1 0 539.009 5.548 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000053319355 554337435 /nfs/dbraw/zinc/33/74/35/554337435.db2.gz PNNVMCCZCLVCSN-AREMUKBSSA-N -1 0 530.964 6.007 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000053319354 554337608 /nfs/dbraw/zinc/33/76/08/554337608.db2.gz PNNVMCCZCLVCSN-SANMLTNESA-N -1 0 530.964 6.007 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000053319403 554337917 /nfs/dbraw/zinc/33/79/17/554337917.db2.gz LVLWDQYQRYTGAH-MQNRADLISA-N -1 0 557.584 5.710 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000053319468 554338278 /nfs/dbraw/zinc/33/82/78/554338278.db2.gz LSZKZWFLTRCEGO-AREMUKBSSA-N -1 0 598.633 5.371 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053332973 554339440 /nfs/dbraw/zinc/33/94/40/554339440.db2.gz HODWVFUUNOQMTF-RUZDIDTESA-N -1 0 572.595 5.036 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053332940 554339500 /nfs/dbraw/zinc/33/95/00/554339500.db2.gz WECPHTCPZGNQCZ-JOCHJYFZSA-N -1 0 522.941 5.643 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)nc1C ZINC000053332851 554339538 /nfs/dbraw/zinc/33/95/38/554339538.db2.gz CTNKZZABOCLISV-QGZVFWFLSA-N -1 0 547.814 5.437 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000053335309 554341044 /nfs/dbraw/zinc/34/10/44/554341044.db2.gz XEIZTVGACLRNCD-XMMPIXPASA-N -1 0 549.004 5.903 50 30 KKEARM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053335452 554341190 /nfs/dbraw/zinc/34/11/90/554341190.db2.gz FRIAQUHPVYHLTD-JOCHJYFZSA-N -1 0 551.349 5.317 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000053336322 554341775 /nfs/dbraw/zinc/34/17/75/554341775.db2.gz HIBCNFLGJVVLRW-HSZRJFAPSA-N -1 0 549.004 5.918 50 30 KKEARM CCc1ccc(/N=C2\S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(CC)cc2)cc1 ZINC000058993349 554371639 /nfs/dbraw/zinc/37/16/39/554371639.db2.gz XZNBSXNCWDOYKX-ZNFUCCHLSA-N -1 0 565.489 6.846 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)o2)ccc1Cl ZINC000100441802 554393688 /nfs/dbraw/zinc/39/36/88/554393688.db2.gz WDFIXNYZKJRFNL-HVSIYQNKSA-N -1 0 507.011 7.235 50 30 KKEARM CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)cc(Br)c1O ZINC000100486830 554402451 /nfs/dbraw/zinc/40/24/51/554402451.db2.gz CXZXASQSKSMJKL-KRWDZBQOSA-N -1 0 527.253 5.474 50 30 KKEARM CCCCCCCC[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100502481 554406349 /nfs/dbraw/zinc/40/63/49/554406349.db2.gz HFBBZVYAWZNJKL-UHFFFAOYSA-N -1 0 575.303 7.473 50 30 KKEARM O=c1c(N=Nc2ccccc2Br)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100512211 554408718 /nfs/dbraw/zinc/40/87/18/554408718.db2.gz FDFAUWOVHVILMC-XAYXJRQQSA-N -1 0 502.397 5.792 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000100527820 554410126 /nfs/dbraw/zinc/41/01/26/554410126.db2.gz NRKSYVFQMIOKBW-WPWMEQJKSA-N -1 0 508.869 5.581 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100527795 554410176 /nfs/dbraw/zinc/41/01/76/554410176.db2.gz OCBAYUAEAVEEDQ-JJIBRWJFSA-N -1 0 519.768 5.325 50 30 KKEARM CCCCCCCCCCn1c(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c([O-])c2ccccc21 ZINC000100658492 554438186 /nfs/dbraw/zinc/43/81/86/554438186.db2.gz HYWPZMAFGHSUFH-UHFFFAOYSA-N -1 0 512.075 7.363 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@H]2c2ccccc2)cc1 ZINC000100675285 554443349 /nfs/dbraw/zinc/44/33/49/554443349.db2.gz JKRRAKCOZFODSC-DEOSSOPVSA-N -1 0 548.661 6.226 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000100677202 554444205 /nfs/dbraw/zinc/44/42/05/554444205.db2.gz MMHQBFWGURWTBX-IBGZPJMESA-N -1 0 559.413 5.621 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCCC)cc2)cc1 ZINC000100677271 554444264 /nfs/dbraw/zinc/44/42/64/554444264.db2.gz YYHOOJPYSFQXOZ-RUZDIDTESA-N -1 0 578.687 6.379 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000100678328 554444889 /nfs/dbraw/zinc/44/48/89/554444889.db2.gz WNIWCNHPCHFSAU-HHHXNRCGSA-N -1 0 622.740 6.633 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC ZINC000100677754 554444979 /nfs/dbraw/zinc/44/49/79/554444979.db2.gz YRCLGOLPILCAQU-VWLOTQADSA-N -1 0 596.677 6.436 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100679384 554445268 /nfs/dbraw/zinc/44/52/68/554445268.db2.gz RECMOFRKXWMAEW-JOCHJYFZSA-N -1 0 589.497 6.897 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000100680380 554446480 /nfs/dbraw/zinc/44/64/80/554446480.db2.gz APGGWDQYHBHVIS-RUZDIDTESA-N -1 0 622.696 5.782 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000100680408 554446770 /nfs/dbraw/zinc/44/67/70/554446770.db2.gz PLBUWKQJWBYOHP-LJAQVGFWSA-N -1 0 624.715 7.548 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100681073 554447170 /nfs/dbraw/zinc/44/71/70/554447170.db2.gz KCDLQCHQRNMSTG-QHCPKHFHSA-N -1 0 596.658 5.226 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000100681093 554447208 /nfs/dbraw/zinc/44/72/08/554447208.db2.gz JKYHNCRWTDENEE-NRFANRHFSA-N -1 0 575.470 6.507 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(OCCC)c(OCC)c2)nc1C ZINC000100681013 554447248 /nfs/dbraw/zinc/44/72/48/554447248.db2.gz OXDAVLPYEBQXQV-NDEPHWFRSA-N -1 0 634.751 6.944 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000100681133 554447522 /nfs/dbraw/zinc/44/75/22/554447522.db2.gz CIZFQEYZUKVSNA-OAQYLSRUSA-N -1 0 585.476 5.962 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100681128 554447581 /nfs/dbraw/zinc/44/75/81/554447581.db2.gz WIIOGEVQCWZQFF-SANMLTNESA-N -1 0 592.714 6.769 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3cc(Cl)cc(Cl)c3)S2)cc1 ZINC000100749772 554465984 /nfs/dbraw/zinc/46/59/84/554465984.db2.gz XOJJXGHGTVHFFA-SAXPKGLRSA-N -1 0 542.444 5.895 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC ZINC000100856582 554493429 /nfs/dbraw/zinc/49/34/29/554493429.db2.gz FFMOCDDFFXMXNN-UDJLBMROSA-N -1 0 513.681 6.462 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000100953579 554538079 /nfs/dbraw/zinc/53/80/79/554538079.db2.gz ASYFLPQGLFQAJH-XMMPIXPASA-N -1 0 614.661 6.585 50 30 KKEARM COc1cccc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(C)cc5)s4)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000100953582 554538119 /nfs/dbraw/zinc/53/81/19/554538119.db2.gz ASYFLPQGLFQAJH-DEOSSOPVSA-N -1 0 614.661 6.585 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000100994645 554550624 /nfs/dbraw/zinc/55/06/24/554550624.db2.gz PDFKUPQRYXMXBE-SAXPKGLRSA-N -1 0 525.989 5.380 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000101001234 554552249 /nfs/dbraw/zinc/55/22/49/554552249.db2.gz GLUQXHPFFFNLBG-UHFFFAOYSA-N -1 0 504.759 9.468 50 30 KKEARM O=C(Nc1cc([N-]c2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000101000646 554552311 /nfs/dbraw/zinc/55/23/11/554552311.db2.gz MTBSVFHWUPTIOE-JVWAILMASA-N -1 0 526.465 6.158 50 30 KKEARM CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]S(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000101015953 554560161 /nfs/dbraw/zinc/56/01/61/554560161.db2.gz LGDSWFJXECUBEO-PYCFMQQDSA-N -1 0 504.699 5.521 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101069765 554574097 /nfs/dbraw/zinc/57/40/97/554574097.db2.gz VABWKHBTQRJDEN-WOOAAIBNSA-N -1 0 593.069 5.995 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000101069844 554574351 /nfs/dbraw/zinc/57/43/51/554574351.db2.gz FOYREWVESLLDKG-YDJIHCHBSA-N -1 0 558.182 5.746 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101072869 554576448 /nfs/dbraw/zinc/57/64/48/554576448.db2.gz HHBGQWIECMFSEY-NHFXJNLRSA-N -1 0 509.356 5.824 50 30 KKEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100199 554586776 /nfs/dbraw/zinc/58/67/76/554586776.db2.gz FIMYYOISEQLWDA-SELCWUDQSA-N -1 0 503.805 5.802 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Br)c2)o1 ZINC000101100227 554587148 /nfs/dbraw/zinc/58/71/48/554587148.db2.gz KZFIELPOPURQBO-WOOAAIBNSA-N -1 0 513.344 5.726 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1cccs1 ZINC000101101552 554638791 /nfs/dbraw/zinc/63/87/91/554638791.db2.gz LDIZEPZCYOWGRB-GHNGSUTGSA-N -1 0 515.385 5.886 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccc(Cl)cc2Cl)nc1C ZINC000101276739 554702884 /nfs/dbraw/zinc/70/28/84/554702884.db2.gz BJWROTHVTQRQNC-JBCNATCCSA-N -1 0 573.454 6.044 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000101278095 554704486 /nfs/dbraw/zinc/70/44/86/554704486.db2.gz BGFFMNSOLRWJSP-WGGXKBPPSA-N -1 0 624.715 6.707 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(O)cc2)nc1C ZINC000101278041 554704576 /nfs/dbraw/zinc/70/45/76/554704576.db2.gz KCIPDPATWKRDNT-UUALVTFQSA-N -1 0 596.661 6.014 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000101294532 554711283 /nfs/dbraw/zinc/71/12/83/554711283.db2.gz RGNUDEGGICXRNL-HOGKFDNTSA-N -1 0 504.589 5.558 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000101316855 554723806 /nfs/dbraw/zinc/72/38/06/554723806.db2.gz PPUMWZZHRBONIC-FZIYRNTBSA-N -1 0 615.708 6.484 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316899 554724132 /nfs/dbraw/zinc/72/41/32/554724132.db2.gz PXEHBELKMCGSNM-CJJGVWJISA-N -1 0 599.690 5.793 50 30 KKEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000101316888 554724159 /nfs/dbraw/zinc/72/41/59/554724159.db2.gz OXKIEFSDSZCXRX-JLPDLQRYSA-N -1 0 597.718 6.345 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000101338208 554734776 /nfs/dbraw/zinc/73/47/76/554734776.db2.gz AVUWZWUCBUYJMI-XMMPIXPASA-N -1 0 595.121 6.780 50 30 KKEARM O=c1c(N=Nc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101373176 554745092 /nfs/dbraw/zinc/74/50/92/554745092.db2.gz BPTVLWHGFDVDJK-SLMZUGIISA-N -1 0 547.394 5.700 50 30 KKEARM O=[N+]([O-])c1ccc([O-])c(/C=N\c2cccc(Nc3nc(N(c4ccccc4)c4ccccc4)nc(N4CCOCC4)n3)c2)c1 ZINC000101490651 554785778 /nfs/dbraw/zinc/78/57/78/554785778.db2.gz NKXCCLIJXWJVHQ-NVMPUMLXSA-N -1 0 588.628 6.286 50 30 KKEARM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000101632995 554812014 /nfs/dbraw/zinc/81/20/14/554812014.db2.gz WPHNXQHKYUSFKZ-MHKBIEMGSA-N -1 0 541.629 5.875 50 30 KKEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000101677571 554828208 /nfs/dbraw/zinc/82/82/08/554828208.db2.gz IDIQGABVEMSMNO-ONUIUJJFSA-N -1 0 561.034 6.111 50 30 KKEARM CCOC(=O)COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000102052277 554871630 /nfs/dbraw/zinc/87/16/30/554871630.db2.gz HBVMTMZJCUFXAG-AFJIDDCJSA-N -1 0 583.666 5.841 50 30 KKEARM COc1cc(OC)c([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000102052505 554871632 /nfs/dbraw/zinc/87/16/32/554871632.db2.gz UGTTVQPTNRRVAO-HPGBDJQBSA-N -1 0 571.655 5.924 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052885 554871849 /nfs/dbraw/zinc/87/18/49/554871849.db2.gz ACXNGFUTXGJQKW-SLQAJWMNSA-N -1 0 545.588 5.143 50 30 KKEARM COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1 ZINC000102053346 554872069 /nfs/dbraw/zinc/87/20/69/554872069.db2.gz XFGQPLQBQPSOSC-XGCWNURASA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053267 554872081 /nfs/dbraw/zinc/87/20/81/554872081.db2.gz FSQSSNCTLZBQKY-UGDMGKLASA-N -1 0 573.674 7.691 50 30 KKEARM N#C[C@H](C(N)=O)[C@H](c1c(-c2ccccc2)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccc(Br)cc1 ZINC000102071795 554873883 /nfs/dbraw/zinc/87/38/83/554873883.db2.gz PNWGDFJSFHZKND-QPTUXGOLSA-N -1 0 570.472 5.349 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102485419 554938276 /nfs/dbraw/zinc/93/82/76/554938276.db2.gz IDIXHTOWZOPXEH-ZHHPLPSFSA-N -1 0 536.993 5.602 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102492560 554939633 /nfs/dbraw/zinc/93/96/33/554939633.db2.gz XWAUPWVIQLBOMW-HOGKFDNTSA-N -1 0 522.604 5.400 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102495376 554940230 /nfs/dbraw/zinc/94/02/30/554940230.db2.gz GOUSCDLTFYJBLA-MRJHHRETSA-N -1 0 524.957 5.732 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102501948 554943403 /nfs/dbraw/zinc/94/34/03/554943403.db2.gz JDXFZPCPWOBLIZ-MRJHHRETSA-N -1 0 511.386 6.238 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)c(OC)c1 ZINC000102502650 554943710 /nfs/dbraw/zinc/94/37/10/554943710.db2.gz BEMHMNKFXPRXLU-HOGKFDNTSA-N -1 0 541.398 5.378 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102502534 554943745 /nfs/dbraw/zinc/94/37/45/554943745.db2.gz ZQLSIRLKVQIOSF-MRJHHRETSA-N -1 0 539.382 5.833 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000102504105 554943908 /nfs/dbraw/zinc/94/39/08/554943908.db2.gz HPIFJGRKZWVRHI-HVESIFNPSA-N -1 0 547.814 5.280 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102513920 554947265 /nfs/dbraw/zinc/94/72/65/554947265.db2.gz ZBYOHNMGZZENJM-MRJHHRETSA-N -1 0 508.577 5.010 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102516422 554947910 /nfs/dbraw/zinc/94/79/10/554947910.db2.gz WMLMBYQJSGNEJP-JBCNATCCSA-N -1 0 522.604 5.400 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102519277 554949306 /nfs/dbraw/zinc/94/93/06/554949306.db2.gz QVKXDOMMTNDNSU-AYWGPLOBSA-N -1 0 565.445 6.092 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102521416 554949727 /nfs/dbraw/zinc/94/97/27/554949727.db2.gz UGLWKISDPAKAFI-LCPUNJGISA-N -1 0 502.832 5.893 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102524267 554950924 /nfs/dbraw/zinc/95/09/24/554950924.db2.gz WSCNTAAMCPGBGI-NHFXJNLRSA-N -1 0 541.448 6.145 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102528007 554952893 /nfs/dbraw/zinc/95/28/93/554952893.db2.gz OKOYKFXVOSPSIW-HOGKFDNTSA-N -1 0 525.413 6.628 50 30 KKEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102534265 554955028 /nfs/dbraw/zinc/95/50/28/554955028.db2.gz LDWQDPNADRLBIB-NXLSWJSLSA-N -1 0 546.601 5.265 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102539301 554956881 /nfs/dbraw/zinc/95/68/81/554956881.db2.gz JPQKMYXDRMIGMI-SBXHHDGASA-N -1 0 544.585 5.117 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2OC)cc1 ZINC000102541571 554957520 /nfs/dbraw/zinc/95/75/20/554957520.db2.gz QMIGEHRMHWLIFL-ZHHPLPSFSA-N -1 0 504.539 5.469 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102544052 554958508 /nfs/dbraw/zinc/95/85/08/554958508.db2.gz WXXYVJMEFMACKJ-MOBKVPTQSA-N -1 0 520.563 5.240 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102549473 554961125 /nfs/dbraw/zinc/96/11/25/554961125.db2.gz DIWBEPQVJVMZCY-NPJIAGGLSA-N -1 0 540.597 5.443 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102552785 554962888 /nfs/dbraw/zinc/96/28/88/554962888.db2.gz WONYJSPSLHICTQ-IIHDFJPDSA-N -1 0 599.690 5.567 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102562799 554968613 /nfs/dbraw/zinc/96/86/13/554968613.db2.gz KVMCPPUIPLTJSY-NXLSWJSLSA-N -1 0 555.612 5.147 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102567734 554970060 /nfs/dbraw/zinc/97/00/60/554970060.db2.gz HVTOXUZYSRLQCF-AIKCTZLLSA-N -1 0 577.634 6.058 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102574897 554971268 /nfs/dbraw/zinc/97/12/68/554971268.db2.gz NPXZIRYZKYQURH-AYWGPLOBSA-N -1 0 513.468 5.358 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102581650 554972679 /nfs/dbraw/zinc/97/26/79/554972679.db2.gz JATYWBOHUUMXBR-NHFXJNLRSA-N -1 0 513.384 5.148 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000102598576 554977436 /nfs/dbraw/zinc/97/74/36/554977436.db2.gz FDKIWNXGOAIYNU-IUKMQXEJSA-N -1 0 622.124 6.280 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102600264 554977730 /nfs/dbraw/zinc/97/77/30/554977730.db2.gz KIQHEXZFZPIQGH-ZHHPLPSFSA-N -1 0 577.615 5.073 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000102606074 554978792 /nfs/dbraw/zinc/97/87/92/554978792.db2.gz MDOXMGKFDWYYDC-IZHWHUGBSA-N -1 0 535.622 5.140 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000102607078 554979770 /nfs/dbraw/zinc/97/97/70/554979770.db2.gz SZXZGOZNSLRECO-CZNAVJSXSA-N -1 0 542.613 5.674 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000102609075 554980823 /nfs/dbraw/zinc/98/08/23/554980823.db2.gz UGMJKFGGJMRBKC-ONQGDUAMSA-N -1 0 599.734 6.660 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1OCCC(C)C ZINC000102619196 554985784 /nfs/dbraw/zinc/98/57/84/554985784.db2.gz DWEBXNJBKJALQA-ONQGDUAMSA-N -1 0 606.697 5.875 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000102620286 554986601 /nfs/dbraw/zinc/98/66/01/554986601.db2.gz FAZSKDWBEDZTMD-SBXHHDGASA-N -1 0 619.652 5.154 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5cccc6ccccc65)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102624700 554987986 /nfs/dbraw/zinc/98/79/86/554987986.db2.gz JHQYXTFUCUPEGS-XKNZNLGKSA-N -1 0 609.704 7.072 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(Br)c1O ZINC000102626854 554988235 /nfs/dbraw/zinc/98/82/35/554988235.db2.gz KADWAWDAJPMILK-WTPDXTQDSA-N -1 0 611.445 5.862 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102650954 554995656 /nfs/dbraw/zinc/99/56/56/554995656.db2.gz XDVKSIDDZUKSEI-TVXPFAQOSA-N -1 0 620.152 6.832 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102654282 554997621 /nfs/dbraw/zinc/99/76/21/554997621.db2.gz VBLZKRPHIIHGBV-NXLSWJSLSA-N -1 0 595.029 5.373 50 30 KKEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102654781 554997673 /nfs/dbraw/zinc/99/76/73/554997673.db2.gz IFWYFQMLXCWIDV-IUKMQXEJSA-N -1 0 526.570 5.120 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102655889 554998623 /nfs/dbraw/zinc/99/86/23/554998623.db2.gz PJNJRJMWNLPGHS-NYFCFKJUSA-N -1 0 619.139 7.333 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OCC ZINC000102677684 555004257 /nfs/dbraw/zinc/00/42/57/555004257.db2.gz OCIPVPXTHYZOLQ-VMFRQMAUSA-N -1 0 634.751 6.546 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102698458 555012096 /nfs/dbraw/zinc/01/20/96/555012096.db2.gz OKQKFKUAPHXZFY-WOOAAIBNSA-N -1 0 503.736 5.034 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102704816 555013875 /nfs/dbraw/zinc/01/38/75/555013875.db2.gz LXHVODBMABOQCW-HOGKFDNTSA-N -1 0 520.563 5.104 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102723524 555020721 /nfs/dbraw/zinc/02/07/21/555020721.db2.gz ZHTGBSWJMBNESI-JBCNATCCSA-N -1 0 504.589 5.333 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102736936 555026430 /nfs/dbraw/zinc/02/64/30/555026430.db2.gz CSORDWJNGNFVGM-KYWXLPDZSA-N -1 0 531.521 5.293 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102770802 555058302 /nfs/dbraw/zinc/05/83/02/555058302.db2.gz MYNPSRVRPGBLNR-XYGUOAIHSA-N -1 0 555.414 6.692 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771066 555059455 /nfs/dbraw/zinc/05/94/55/555059455.db2.gz PVQYELIFUBRXEV-FECHNCLXSA-N -1 0 520.969 6.039 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771321 555060313 /nfs/dbraw/zinc/06/03/13/555060313.db2.gz SIHLOBQMBVIWPL-RPUIFAKWSA-N -1 0 576.099 6.434 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771322 555060359 /nfs/dbraw/zinc/06/03/59/555060359.db2.gz SIHLOBQMBVIWPL-YMMFOPJESA-N -1 0 576.099 6.434 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102800055 555072389 /nfs/dbraw/zinc/07/23/89/555072389.db2.gz RHBHXQJOKFJAAC-SELCWUDQSA-N -1 0 500.935 5.047 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102862029 555092014 /nfs/dbraw/zinc/09/20/14/555092014.db2.gz QZMXZKSYYRESPX-CJJGVWJISA-N -1 0 617.705 6.116 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102863549 555093633 /nfs/dbraw/zinc/09/36/33/555093633.db2.gz XUQKJTUUZXMKGI-NXLSWJSLSA-N -1 0 510.974 5.840 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)cc2)c1 ZINC000102867704 555096963 /nfs/dbraw/zinc/09/69/63/555096963.db2.gz CYLVDLXPKPSPMI-SBXHHDGASA-N -1 0 500.551 5.796 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000102868217 555097475 /nfs/dbraw/zinc/09/74/75/555097475.db2.gz WGDPEFJPAZPAHW-IUKMQXEJSA-N -1 0 527.602 5.369 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102869525 555099207 /nfs/dbraw/zinc/09/92/07/555099207.db2.gz MGQLZCVKHRLHEQ-DFXXOVSGSA-N -1 0 602.665 5.890 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102870098 555100139 /nfs/dbraw/zinc/10/01/39/555100139.db2.gz STOMUVWZYIMEEC-DFXXOVSGSA-N -1 0 621.111 6.781 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102873703 555104027 /nfs/dbraw/zinc/10/40/27/555104027.db2.gz ZFGUSFBHIWIYAR-JBCNATCCSA-N -1 0 538.603 5.019 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102874345 555104533 /nfs/dbraw/zinc/10/45/33/555104533.db2.gz FCXNQQHEQAQHCC-JBCNATCCSA-N -1 0 508.571 5.517 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000102874348 555104600 /nfs/dbraw/zinc/10/46/00/555104600.db2.gz FCXNQQHEQAQHCC-MRJHHRETSA-N -1 0 508.571 5.517 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102877042 555106552 /nfs/dbraw/zinc/10/65/52/555106552.db2.gz PAMWSYHOTYJTKP-JBCNATCCSA-N -1 0 539.407 5.985 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102878600 555107815 /nfs/dbraw/zinc/10/78/15/555107815.db2.gz GZWKYSXLJNKSGY-GROYHEBESA-N -1 0 503.363 5.171 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(Br)cc2)nc1C ZINC000102878746 555107867 /nfs/dbraw/zinc/10/78/67/555107867.db2.gz JSRXCUDQSHUVJZ-YDJIHCHBSA-N -1 0 571.449 5.334 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887582 555119591 /nfs/dbraw/zinc/11/95/91/555119591.db2.gz MZFYZOQAINNGNC-JDSQIOQSSA-N -1 0 605.112 7.087 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887578 555119635 /nfs/dbraw/zinc/11/96/35/555119635.db2.gz MZFYZOQAINNGNC-LQRKZSIOSA-N -1 0 605.112 7.087 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102889332 555123583 /nfs/dbraw/zinc/12/35/83/555123583.db2.gz ARFBWYBMMUICAY-IUKMQXEJSA-N -1 0 592.670 5.451 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102889310 555123606 /nfs/dbraw/zinc/12/36/06/555123606.db2.gz RCMYYDQKANRILW-ANCNPBKRSA-N -1 0 576.602 5.411 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(OC)c1OC ZINC000102892281 555128489 /nfs/dbraw/zinc/12/84/89/555128489.db2.gz VJEJGLSBEGLNGA-ANCNPBKRSA-N -1 0 593.057 5.925 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000102896279 555135984 /nfs/dbraw/zinc/13/59/84/555135984.db2.gz HECXZJJPZOUAJP-ONQGDUAMSA-N -1 0 534.609 5.832 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000102897501 555137809 /nfs/dbraw/zinc/13/78/09/555137809.db2.gz QXKVWGXGEMNDAN-ZHHPLPSFSA-N -1 0 579.428 5.465 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1O ZINC000102897430 555137923 /nfs/dbraw/zinc/13/79/23/555137923.db2.gz HUHSWABZFOOHEP-HOTYXSFQSA-N -1 0 549.004 5.614 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102898253 555138432 /nfs/dbraw/zinc/13/84/32/555138432.db2.gz HWYPPSNSBGXLNK-GMBUILNLSA-N -1 0 533.005 5.908 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102924851 555148944 /nfs/dbraw/zinc/14/89/44/555148944.db2.gz AEAFWBKWOPEMAN-JBCNATCCSA-N -1 0 505.508 5.131 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102929454 555155329 /nfs/dbraw/zinc/15/53/29/555155329.db2.gz HHSNYPPHAOPFJY-HOGKFDNTSA-N -1 0 506.605 5.782 50 30 KKEARM Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cc(Br)c([O-])c(Br)c1)C1=C(CCCC1=O)N2 ZINC000102935407 555162806 /nfs/dbraw/zinc/16/28/06/555162806.db2.gz BQDMVJHCYMRLPZ-FQEVSTJZSA-N -1 0 586.309 6.586 50 30 KKEARM CCCCCCCCOc1ccc(Nc2cc([N-]c3ccccc3/N=C/c3ccc4c(c3)OCO4)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000103012696 555207477 /nfs/dbraw/zinc/20/74/77/555207477.db2.gz CVSZOUVEUUNIGE-FADJLKOXSA-N -1 0 625.682 9.209 50 30 KKEARM Cc1ccc2oc(-c3ccc(/N=C/c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)cc3[O-])nc2c1 ZINC000103615806 555456137 /nfs/dbraw/zinc/45/61/37/555456137.db2.gz VQQTVVLNWGXWNU-RWPZCVJISA-N -1 0 510.462 6.868 50 30 KKEARM CCOc1cc(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)NC2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000103646771 555460810 /nfs/dbraw/zinc/46/08/10/555460810.db2.gz ZPRVJCIUCLHRMM-ZMOGYAJESA-N -1 0 610.486 5.764 50 30 KKEARM C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(=C([O-])c3ccc(O)c(O)c3)C1=O)C2=O ZINC000004098424 571360367 /nfs/dbraw/zinc/36/03/67/571360367.db2.gz QDKLRKZQSOQWJQ-SMDXAGPFSA-N -1 0 602.812 8.915 50 30 endogenous,in-man KKEARM COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](Oc5ccccc5C(=O)[O-])CC[C@]43C)[C@H]2C1 ZINC000104071943 571372200 /nfs/dbraw/zinc/37/22/00/571372200.db2.gz LNZWDWPFTHLSHQ-FUIQYMESSA-N -1 0 604.828 8.286 50 30 KKEARM CCCCCCCCOc1ccc([C@@H](CC(=O)OC)c2c(=O)c(O)c([O-])c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000108450399 571425155 /nfs/dbraw/zinc/42/51/55/571425155.db2.gz UKCODXSOGCMAQW-XMMPIXPASA-N -1 0 560.643 7.011 50 30 biogenic KKEARM C=C(C)COc1cc([C@H](CC(=O)OC)c2c3oc(-c4ccccc4)cc(O)c-3c([O-])c(O)c2=O)ccc1OC ZINC000108451410 571425596 /nfs/dbraw/zinc/42/55/96/571425596.db2.gz HGQPXDPYODWARJ-IBGZPJMESA-N -1 0 532.545 5.235 50 30 biogenic KKEARM O=C(C1=C(O)C(=O)N(c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000108490853 571425991 /nfs/dbraw/zinc/42/59/91/571425991.db2.gz WRZPTNITMAHYLD-JOCHJYFZSA-N -1 0 552.033 5.380 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150344371 571459255 /nfs/dbraw/zinc/45/92/55/571459255.db2.gz ANKSFLDOVZNXOJ-GWWFNUOLSA-N -1 0 994.129 10.456 50 30 KKEARM O=P1([O-])Oc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3ccccc3c2-c2c3ccccc3cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O1 ZINC000150347594 571460913 /nfs/dbraw/zinc/46/09/13/571460913.db2.gz DQORDVSQWPKAQJ-UHFFFAOYSA-N -1 0 772.478 12.941 50 30 KKEARM O=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000150351869 571462293 /nfs/dbraw/zinc/46/22/93/571462293.db2.gz WDVIRVNGPYOVKZ-WCZMLVOGSA-N -1 0 693.211 7.719 50 30 biogenic KKEARM C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(I)cc(I)c3[O-])cc2s1)c1ccccc1 ZINC000150355595 571463071 /nfs/dbraw/zinc/46/30/71/571463071.db2.gz SVDGBSMTASESAM-YOGAUDJFSA-N -1 0 699.377 6.931 50 30 KKEARM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000150382332 571467168 /nfs/dbraw/zinc/46/71/68/571467168.db2.gz DAKGYNXZJJIWPH-DIENZIEHSA-N -1 0 620.294 6.862 50 30 KKEARM O=c1c(N=Nc2c(Br)cc(Br)cc2Br)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000150399941 571477758 /nfs/dbraw/zinc/47/77/58/571477758.db2.gz XSNSDBBXWVAUMS-LHLOQNFPSA-N -1 0 622.071 6.101 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150417228 571486154 /nfs/dbraw/zinc/48/61/54/571486154.db2.gz HCAHEUHRPNCUGH-QJGFIUGVSA-N -1 0 643.787 6.886 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1OCC ZINC000150417779 571486288 /nfs/dbraw/zinc/48/62/88/571486288.db2.gz GJHYBIOBKMKZGX-ONQGDUAMSA-N -1 0 700.622 7.332 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418219 571486514 /nfs/dbraw/zinc/48/65/14/571486514.db2.gz OLFGLYICHWZGNE-UUALVTFQSA-N -1 0 666.177 6.679 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422202 571488008 /nfs/dbraw/zinc/48/80/08/571488008.db2.gz OFLMJCYBXKLZRE-VEZPTTSMSA-N -1 0 649.750 6.807 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2cccc(OCc3ccccc3)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150422206 571488039 /nfs/dbraw/zinc/48/80/39/571488039.db2.gz OFLMJCYBXKLZRE-QMMFTLRZSA-N -1 0 649.750 6.807 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)ccc1OCCC(C)C ZINC000150422182 571488120 /nfs/dbraw/zinc/48/81/20/571488120.db2.gz PCXGNBGMNYVOGS-VDBNUPDGSA-N -1 0 671.841 7.604 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424234 571489028 /nfs/dbraw/zinc/48/90/28/571489028.db2.gz UINYYWOMOFCRBU-PLQDCEFPSA-N -1 0 685.868 7.912 50 30 KKEARM CCCCCCCCn1c([N-]S(=O)(=O)c2ccc3ccccc3c2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000150424595 571489314 /nfs/dbraw/zinc/48/93/14/571489314.db2.gz OTRWGSGIOTTYGK-UHFFFAOYSA-N -1 0 640.831 8.040 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150428557 571492082 /nfs/dbraw/zinc/49/20/82/571492082.db2.gz NPVIZSMGCMNVCS-SSEXGKCCSA-N -1 0 706.871 8.606 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccc(Cl)cc1 ZINC000150432937 571494209 /nfs/dbraw/zinc/49/42/09/571494209.db2.gz QOFHDDDIGAFIMP-JOCHJYFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150435025 571495077 /nfs/dbraw/zinc/49/50/77/571495077.db2.gz FPVFTTCDKDOMTH-AYWGPLOBSA-N -1 0 630.506 6.674 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 ZINC000150435474 571495472 /nfs/dbraw/zinc/49/54/72/571495472.db2.gz WCLVVDIDEIZFQI-GKYPKFCBSA-N -1 0 705.858 8.066 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435800 571495823 /nfs/dbraw/zinc/49/58/23/571495823.db2.gz QNONWGPLBDCTDJ-JVDDQQDMSA-N -1 0 743.863 8.359 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150445205 571500235 /nfs/dbraw/zinc/50/02/35/571500235.db2.gz FFRKMZWTZWKYLW-NSEAICKMSA-N -1 0 629.485 5.055 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445312 571500397 /nfs/dbraw/zinc/50/03/97/571500397.db2.gz XQWYNSVFGAVIIY-MIOXIQPJSA-N -1 0 656.713 6.003 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445394 571500421 /nfs/dbraw/zinc/50/04/21/571500421.db2.gz YYLBGXYSIQNAHO-TXTDGAROSA-N -1 0 658.729 6.168 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(OCc3ccccc3)c(OCC)c2)nc1C ZINC000150445326 571500439 /nfs/dbraw/zinc/50/04/39/571500439.db2.gz DBTSEWGIPDXBLH-QMMFTLRZSA-N -1 0 668.724 6.170 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000150445614 571500729 /nfs/dbraw/zinc/50/07/29/571500729.db2.gz NOTAMKLKMUQBEA-ONQGDUAMSA-N -1 0 644.702 5.778 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445869 571500996 /nfs/dbraw/zinc/50/09/96/571500996.db2.gz OFGLHEMHLKWAMY-ROBPHKHBSA-N -1 0 632.163 6.998 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 ZINC000150453854 571503767 /nfs/dbraw/zinc/50/37/67/571503767.db2.gz GKIJUJGYQGTAPL-SZYGQJGOSA-N -1 0 650.709 6.680 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150453780 571503818 /nfs/dbraw/zinc/50/38/18/571503818.db2.gz PFKKDRXKPJAABF-JBODOUGHSA-N -1 0 637.508 6.121 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150457455 571504903 /nfs/dbraw/zinc/50/49/03/571504903.db2.gz VNVYFURFWXKENR-WSOTVMCUSA-N -1 0 677.848 8.358 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150457422 571505006 /nfs/dbraw/zinc/50/50/06/571505006.db2.gz GOTFXUMMRMZYHF-DNNDWWBDSA-N -1 0 641.771 6.744 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150457833 571505189 /nfs/dbraw/zinc/50/51/89/571505189.db2.gz NGDBHKLVKGCDLV-HYVCFMKYSA-N -1 0 678.232 7.621 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459201 571505667 /nfs/dbraw/zinc/50/56/67/571505667.db2.gz DKYTYDLUXGBXFD-NNZNMFTDSA-N -1 0 665.768 7.498 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000150459188 571505708 /nfs/dbraw/zinc/50/57/08/571505708.db2.gz HGKKTZNKTYTPJK-ROBPHKHBSA-N -1 0 634.179 7.222 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5F)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150459209 571505751 /nfs/dbraw/zinc/50/57/51/571505751.db2.gz DKYTYDLUXGBXFD-RIEKNRFYSA-N -1 0 665.768 7.498 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000150461448 571506360 /nfs/dbraw/zinc/50/63/60/571506360.db2.gz NWBXBFHSXWCVNY-VMFRQMAUSA-N -1 0 631.751 7.098 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461184 571506418 /nfs/dbraw/zinc/50/64/18/571506418.db2.gz MCJRIDKPEDKFFD-HWTUVFLMSA-N -1 0 696.678 8.656 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463334 571507070 /nfs/dbraw/zinc/50/70/70/571507070.db2.gz JRXFWVPVMBRSDX-WKHTWXOLSA-N -1 0 641.496 5.221 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150463445 571507297 /nfs/dbraw/zinc/50/72/97/571507297.db2.gz GWEAJFAZYLBVED-PYCUTIABSA-N -1 0 663.821 8.112 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150463867 571507488 /nfs/dbraw/zinc/50/74/88/571507488.db2.gz GHIQIZFTIAXKMO-GSYBUTJLSA-N -1 0 657.814 7.358 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150465554 571507819 /nfs/dbraw/zinc/50/78/19/571507819.db2.gz LSQFNIMMUNAZDD-NNZNMFTDSA-N -1 0 706.286 8.401 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150467666 571508238 /nfs/dbraw/zinc/50/82/38/571508238.db2.gz QTWKMCUUIUGIDG-MIOXIQPJSA-N -1 0 637.739 6.780 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000150469578 571508879 /nfs/dbraw/zinc/50/88/79/571508879.db2.gz SSYOSIZMFQTOLQ-DFXXOVSGSA-N -1 0 647.750 6.792 50 30 KKEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150469638 571508886 /nfs/dbraw/zinc/50/88/86/571508886.db2.gz YZGVDIIXQZDQFR-HYVCFMKYSA-N -1 0 676.216 7.397 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150471592 571509616 /nfs/dbraw/zinc/50/96/16/571509616.db2.gz NKLITVLXWCXDHB-HYVCFMKYSA-N -1 0 678.232 7.621 50 30 KKEARM CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000150475042 571510691 /nfs/dbraw/zinc/51/06/91/571510691.db2.gz RZKRRPNSZGSDHP-UHFFFAOYSA-N -1 0 706.946 10.037 50 30 KKEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150477246 571511317 /nfs/dbraw/zinc/51/13/17/571511317.db2.gz QNALETOPSUWILV-VEZPTTSMSA-N -1 0 651.766 7.170 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150480382 571511897 /nfs/dbraw/zinc/51/18/97/571511897.db2.gz WYANABXJEOPBAU-WGGXKBPPSA-N -1 0 677.776 6.945 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150486753 571516576 /nfs/dbraw/zinc/51/65/76/571516576.db2.gz OFJQFMSNVJIRTN-YSJQHINGSA-N -1 0 716.668 8.666 50 30 KKEARM O=P([O-])(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000150596358 571522410 /nfs/dbraw/zinc/52/24/10/571522410.db2.gz HQGVHWVAKIRNOK-UHFFFAOYSA-N -1 0 926.160 10.544 50 30 KKEARM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=c1\cc(-c2ccc(C3CCCCC3)cc2)n(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000150627696 571523812 /nfs/dbraw/zinc/52/38/12/571523812.db2.gz QPVFLHRAFZAKCK-WQBMDMGNSA-N -1 0 700.024 9.356 50 30 KKEARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c1=2)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000150664057 571528484 /nfs/dbraw/zinc/52/84/84/571528484.db2.gz JDRWLVAGSXHNPM-BEPNPQETSA-N -1 0 670.545 5.777 50 30 KKEARM O=[P@@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000158896861 571529964 /nfs/dbraw/zinc/52/99/64/571529964.db2.gz PMWXDQPVJHEZJK-UHFFFAOYSA-N -1 0 628.109 6.834 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](Cc3nc4ccccc4[nH]3)c3ccc(F)cc3)C1=O)O2 ZINC000263585309 572117499 /nfs/dbraw/zinc/11/74/99/572117499.db2.gz HEBGSGPIICTNNX-YRCSAVHKSA-N -1 0 581.600 5.158 50 30 KKEARM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(c([O-])c3C)C(=O)C(=C(N3CCOCC3)C4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H]3OC(C)(C)O[C@@H]([C@@H]3C)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000245240421 572213746 /nfs/dbraw/zinc/21/37/46/572213746.db2.gz RKWNQZAGHWKBAH-FGZUUZCRSA-N -1 0 820.933 5.089 50 30 KKEARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c1=2)N1N=C2C(=Cc3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000245253606 572221572 /nfs/dbraw/zinc/22/15/72/572221572.db2.gz JDRWLVAGSXHNPM-OAKIORGXSA-N -1 0 670.545 5.777 50 30 KKEARM Cc1ccc2oc(-c3cccc(N=Cc4cc(I)cc(I)c4[O-])c3)nc2c1 ZINC000252621932 572269646 /nfs/dbraw/zinc/26/96/46/572269646.db2.gz NKIYHQKLCNTKMQ-UHFFFAOYSA-N -1 0 580.163 6.469 50 30 KKEARM CCCCc1ccc(N=Cc2cc(I)cc(I)c2[O-])c(C)c1 ZINC000252610729 572268199 /nfs/dbraw/zinc/26/81/99/572268199.db2.gz IDCVSUPWAIENNB-UHFFFAOYSA-N -1 0 519.164 6.003 50 30 KKEARM CCc1ccc(N=C2S/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000252611731 572268314 /nfs/dbraw/zinc/26/83/14/572268314.db2.gz IMKSZOXZKGNASH-HUEMJPGFSA-N -1 0 586.349 7.851 50 30 KKEARM COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000252614675 572268642 /nfs/dbraw/zinc/26/86/42/572268642.db2.gz JLTJOIUHMCPCTK-MRYWEKRUSA-N -1 0 536.609 6.781 50 30 KKEARM Cc1ccc2oc(-c3cc(N=Cc4ccc(C(=O)Oc5cc(Cl)ccc5Cl)cc4)ccc3[O-])nc2c1 ZINC000252621592 572269621 /nfs/dbraw/zinc/26/96/21/572269621.db2.gz NCGJROQRFHIGAT-UHFFFAOYSA-N -1 0 517.368 7.785 50 30 KKEARM CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(I)cc(I)c4[O-])cc3s2)cc1 ZINC000252623386 572269995 /nfs/dbraw/zinc/26/99/95/572269995.db2.gz OQAKLGCHLWTNPH-UHFFFAOYSA-N -1 0 713.360 6.895 50 30 KKEARM COc1cc(OC)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000252627109 572270684 /nfs/dbraw/zinc/27/06/84/572270684.db2.gz RMTWIOHNZPXRDG-RELFFPTMSA-N -1 0 553.434 5.969 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)SC2=Nc2ccccc2)cc1 ZINC000252629315 572271126 /nfs/dbraw/zinc/27/11/26/572271126.db2.gz UDLBDHHXNBCAOJ-IHWVEQEDSA-N -1 0 632.330 6.488 50 30 KKEARM C[C@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)c1ccccc1 ZINC000252629617 572271133 /nfs/dbraw/zinc/27/11/33/572271133.db2.gz UKCCSKIIBFQBES-AWEZNQCLSA-N -1 0 605.377 7.247 50 30 KKEARM C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2s1)c1ccccc1 ZINC000252629618 572271194 /nfs/dbraw/zinc/27/11/94/572271194.db2.gz UKCCSKIIBFQBES-CQSZACIVSA-N -1 0 605.377 7.247 50 30 KKEARM COc1cc(/C=C2/SC(=Nc3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000252634621 572271701 /nfs/dbraw/zinc/27/17/01/572271701.db2.gz WPHNXQHKYUSFKZ-VINLVOCISA-N -1 0 541.629 5.875 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=Nc2ccccc2)cc1 ZINC000252635702 572271878 /nfs/dbraw/zinc/27/18/78/572271878.db2.gz WZNBHTWGANPFEI-KBGJLFSOSA-N -1 0 525.542 6.357 50 30 KKEARM COc1ccc(N=C2SC(=NN=Cc3ccccc3O)N(c3ccccc3)C2=Nc2ccc(OC)cc2)cc1 ZINC000252638128 572272107 /nfs/dbraw/zinc/27/21/07/572272107.db2.gz XZOJZFHJDSKDAC-UHFFFAOYSA-N -1 0 535.629 6.813 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000252643822 572272488 /nfs/dbraw/zinc/27/24/88/572272488.db2.gz ZXHSAMQHUPBZGJ-IEXRNCSJSA-N -1 0 532.618 5.995 50 30 KKEARM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@](C)(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]43C)[C@H]21 ZINC000253387665 572282644 /nfs/dbraw/zinc/28/26/44/572282644.db2.gz SEOJRLKLAQEBSW-FOWZFJDZSA-N -1 0 631.898 7.386 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253499697 572293737 /nfs/dbraw/zinc/29/37/37/572293737.db2.gz MISRCEKKHJVMIX-VLNPBSBRSA-N -1 0 574.718 5.504 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NC[C@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501604 572294758 /nfs/dbraw/zinc/29/47/58/572294758.db2.gz MGUKBGMXAHYHQC-ODNDFUPWSA-N -1 0 546.708 5.061 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253502061 572295247 /nfs/dbraw/zinc/29/52/47/572295247.db2.gz ZKLSMMQOZBNCNB-XUGBGFDISA-N -1 0 556.744 5.014 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253503393 572295925 /nfs/dbraw/zinc/29/59/25/572295925.db2.gz LTSNJOBYKAGBLS-LWZBWOGYSA-N -1 0 632.882 9.131 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253504291 572296555 /nfs/dbraw/zinc/29/65/55/572296555.db2.gz BCBXQCAEFQEDQZ-SCWDCIOVSA-N -1 0 584.838 7.984 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCc5c6cc(OC)ccc6[nH]c5C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505317 572296940 /nfs/dbraw/zinc/29/69/40/572296940.db2.gz JRUNXVYFOIYFBW-CIOCTIMCSA-N -1 0 601.744 5.233 50 30 KKEARM C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCCc5c6cc(OC)ccc6[nH]c5C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505326 572297029 /nfs/dbraw/zinc/29/70/29/572297029.db2.gz JRUNXVYFOIYFBW-ZEAXKMNCSA-N -1 0 601.744 5.233 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CO/N=C3\C=C[C@@]4(C)C(=C3)CC[C@H]3[C@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]34)c2c1 ZINC000253505927 572297232 /nfs/dbraw/zinc/29/72/32/572297232.db2.gz OAYWHZMJOWQING-GFGWEICBSA-N -1 0 589.733 5.396 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253522771 572297843 /nfs/dbraw/zinc/29/78/43/572297843.db2.gz QUVDNQFOKKUKAA-NOAJANCGSA-N -1 0 584.838 7.984 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533215 572299317 /nfs/dbraw/zinc/29/93/17/572299317.db2.gz CYWWELYHCZFKIG-YPWQEMQESA-N -1 0 534.697 5.339 50 30 KKEARM COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000524730369 1069829729 /nfs/dbraw/zinc/82/97/29/1069829729.db2.gz GVYSMBORHBGAKH-UHFYDFRHSA-N -1 0 612.418 5.449 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@@H](C)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089278 1071058622 /nfs/dbraw/zinc/05/86/22/1071058622.db2.gz SDLLZQLFPYRLFM-VPQXBJNXSA-N -1 0 610.999 5.397 50 30 KKEARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000888089276 1071059389 /nfs/dbraw/zinc/05/93/89/1071059389.db2.gz SDLLZQLFPYRLFM-JIFYINTFSA-N -1 0 610.999 5.397 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000888090199 1071064236 /nfs/dbraw/zinc/06/42/36/1071064236.db2.gz IABIDMZHVGWLMT-MUBYFRFNSA-N -1 0 527.702 5.218 50 30 KKEARM CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCC)CCCCCCCC(=O)[O-] ZINC000575419535 1071137922 /nfs/dbraw/zinc/13/79/22/1071137922.db2.gz DPFVDUJFYPYAOO-SSEXGKCCSA-N -1 0 510.844 10.555 50 30 in-vitro KKEARM CC/C(C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000010130470 1071207645 /nfs/dbraw/zinc/20/76/45/1071207645.db2.gz BJZWKDAJSWNBLM-AYQSFACRSA-N -1 0 502.483 5.715 50 30 KKEARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1 ZINC000254443794 1072855695 /nfs/dbraw/zinc/85/56/95/1072855695.db2.gz TVGGJECNKVMGLD-UHFFFAOYSA-N -1 0 514.432 5.154 50 30 KKEARM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000034169081 291905781 /nfs/dbraw/zinc/90/57/81/291905781.db2.gz FTQDJVZNPJRVPG-XWEVEMRCSA-N -1 0 512.731 6.983 50 30 biogenic,in-vitro KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CON=C3C=C[C@@]4(C)C(=C3)CC[C@H]3[C@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]34)c2c1 ZINC000253533605 195477919 /nfs/dbraw/zinc/47/79/19/195477919.db2.gz OAYWHZMJOWQING-VLZVQMPQSA-N -1 0 589.733 5.396 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000000631213 551505127 /nfs/dbraw/zinc/50/51/27/551505127.db2.gz JOANBNJPZGGBRV-IBGZPJMESA-N -1 0 541.423 5.482 50 30 KKEARM Cc1ccc([C@@H]2C3C(=O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651843 551512976 /nfs/dbraw/zinc/51/29/76/551512976.db2.gz PMVSCENVRKXHOM-IIMAJNMQSA-N -1 0 515.009 6.414 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000651844 551512985 /nfs/dbraw/zinc/51/29/85/551512985.db2.gz PMVSCENVRKXHOM-JRPXNJEYSA-N -1 0 515.009 6.414 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1 ZINC000000660397 551515987 /nfs/dbraw/zinc/51/59/87/551515987.db2.gz CHDIOSFQCHOYTG-UHFFFAOYSA-N -1 0 594.502 6.233 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 ZINC000000660378 551516051 /nfs/dbraw/zinc/51/60/51/551516051.db2.gz ZLIVKLRSQLXNIZ-UHFFFAOYSA-N -1 0 592.132 7.088 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(Br)cc1OCC(=O)[O-] ZINC000000696073 551528045 /nfs/dbraw/zinc/52/80/45/551528045.db2.gz DPIOIWFOJXCRNS-UHFFFAOYSA-N -1 0 546.458 5.284 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(OCc3ccccc3)cc2)nc1C ZINC000000702939 551529769 /nfs/dbraw/zinc/52/97/69/551529769.db2.gz SYPKFDTXRRYTAT-MHZLTWQESA-N -1 0 564.619 6.762 50 30 KKEARM Cc1ccc([C@H]2C3C(=O)C[C@@H](c4cccc(Br)c4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000717168 551534596 /nfs/dbraw/zinc/53/45/96/551534596.db2.gz WTLQHBFCCMRDFC-JRPXNJEYSA-N -1 0 559.460 6.523 50 30 KKEARM COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719699 551536374 /nfs/dbraw/zinc/53/63/74/551536374.db2.gz OTKLYAOXWMTOHL-WENCNXQZSA-N -1 0 564.560 6.479 50 30 KKEARM COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C(F)(F)F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000000719698 551536387 /nfs/dbraw/zinc/53/63/87/551536387.db2.gz OTKLYAOXWMTOHL-WRGVRERRSA-N -1 0 564.560 6.479 50 30 KKEARM N#Cc1c(OCC(F)(F)F)ccc(S(=O)(=O)[N-]c2ccc(C(=O)c3ccccc3)cc2)c1OCC(F)(F)F ZINC000001040843 551598779 /nfs/dbraw/zinc/59/87/79/551598779.db2.gz CLIDHWNKJUCVRL-UHFFFAOYSA-N -1 0 558.456 5.472 50 30 KKEARM [O-]c1c(Br)cc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1Br ZINC000001101306 551608659 /nfs/dbraw/zinc/60/86/59/551608659.db2.gz LPQZIHPUMOTDIV-UFFVCSGVSA-N -1 0 519.031 5.267 50 30 KKEARM COC(=O)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001243788 551631255 /nfs/dbraw/zinc/63/12/55/551631255.db2.gz SEZWZILQHINOLR-JRPXNJEYSA-N -1 0 542.563 5.378 50 30 KKEARM COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1CCCC1)[C@@H]2c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000001438538 551671927 /nfs/dbraw/zinc/67/19/27/551671927.db2.gz LGVMKRCPRKZIIN-CRYYWNKWSA-N -1 0 548.592 5.165 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000001450200 551675344 /nfs/dbraw/zinc/67/53/44/551675344.db2.gz ZXZFDGRVPMENAU-LJQANCHMSA-N -1 0 517.415 6.456 50 30 KKEARM COc1cc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001453808 551676386 /nfs/dbraw/zinc/67/63/86/551676386.db2.gz MNVGOQCVRBJFQQ-QJWGWKRISA-N -1 0 556.615 5.478 50 30 biogenic KKEARM COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])c1 ZINC000001457513 551677113 /nfs/dbraw/zinc/67/71/13/551677113.db2.gz JPVCAUACVPTXQB-WENCNXQZSA-N -1 0 531.008 6.114 50 30 KKEARM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001457584 551677306 /nfs/dbraw/zinc/67/73/06/551677306.db2.gz VRQJMAFWZJYLJT-ICACTRECSA-N -1 0 567.642 6.658 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000001480875 551682170 /nfs/dbraw/zinc/68/21/70/551682170.db2.gz CCODETKKUHIECG-XMMPIXPASA-N -1 0 534.565 5.634 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000001480889 551682332 /nfs/dbraw/zinc/68/23/32/551682332.db2.gz AGQTUPPSZHSHEG-HXUWFJFHSA-N -1 0 541.448 6.302 50 30 KKEARM CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000001746188 551691884 /nfs/dbraw/zinc/69/18/84/551691884.db2.gz UZIDWSNWWMEQIF-QFIPXVFZSA-N -1 0 536.338 5.099 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4[O-])ccc3o2)cc1Br ZINC000001882932 551724594 /nfs/dbraw/zinc/72/45/94/551724594.db2.gz MRZNZVMTTASTLV-KIBLKLHPSA-N -1 0 520.608 7.438 50 30 KKEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1[O-] ZINC000001947786 551735090 /nfs/dbraw/zinc/73/50/90/551735090.db2.gz HAJVWONICDXKOT-FJEPWZHXSA-N -1 0 518.356 7.757 50 30 KKEARM Cc1ccc2oc(-c3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4O)ccc3[O-])nc2c1 ZINC000001947855 551735173 /nfs/dbraw/zinc/73/51/73/551735173.db2.gz OGIMEFAHGRXNOU-OKCVXOCRSA-N -1 0 513.391 7.318 50 30 KKEARM CCc1ccc2oc(-c3cc(/N=C/c4ccc(OC(=O)c5cccc(Br)c5)cc4)ccc3[O-])nc2c1 ZINC000001955263 551735746 /nfs/dbraw/zinc/73/57/46/551735746.db2.gz VRWSPOLPCQDKDY-KBVAKVRCSA-N -1 0 541.401 7.495 50 30 KKEARM CCc1ccccc1/N=C1\S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1ccccc1CC ZINC000002084060 551753880 /nfs/dbraw/zinc/75/38/80/551753880.db2.gz AHPGMKISSRQKEL-XNLNZBGWSA-N -1 0 541.898 7.742 50 30 KKEARM CCCc1sc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c(C#N)c1C ZINC000002179301 551784621 /nfs/dbraw/zinc/78/46/21/551784621.db2.gz BIOKXSMWQVWHGY-VCHYOVAHSA-N -1 0 557.528 6.426 50 30 KKEARM C[C@@]1(c2cccc([N+](=O)[O-])c2)Nc2ccccc2C(=O)N1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000002188432 551788438 /nfs/dbraw/zinc/78/84/38/551788438.db2.gz RWVAAUQAHSQQJX-XZVVGHKBSA-N -1 0 560.202 5.600 50 30 KKEARM Cc1cc(I)ccc1/N=C/c1c2c(cc(Br)c1[O-])oc1c2CCCC1 ZINC000002288669 551807227 /nfs/dbraw/zinc/80/72/27/551807227.db2.gz UNRQNVYWZGDHNL-AUEPDCJTSA-N -1 0 510.169 6.443 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000001451437 552077945 /nfs/dbraw/zinc/07/79/45/552077945.db2.gz VJHHTPBDBGPSGJ-HSZRJFAPSA-N -1 0 534.590 5.569 50 30 KKEARM COc1ccc(CCn2c([N-]S(=O)(=O)c3ccc4ccccc4c3)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000002376759 552106703 /nfs/dbraw/zinc/10/67/03/552106703.db2.gz LGCMRFQAPISHDO-UHFFFAOYSA-N -1 0 533.613 5.661 50 30 KKEARM O=S(=O)(Oc1ccccc1Cl)c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)Oc3ccccc3Cl)ccc1-2 ZINC000002590073 552132433 /nfs/dbraw/zinc/13/24/33/552132433.db2.gz UQSVNOHUJQKYQX-UHFFFAOYSA-N -1 0 576.435 5.736 50 30 KKEARM C=CCOc1c(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000002916890 552217808 /nfs/dbraw/zinc/21/78/08/552217808.db2.gz HCVCEBCHDSVEJE-NTUHNPAUSA-N -1 0 589.238 5.003 50 30 KKEARM C=CCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC ZINC000002920778 552219643 /nfs/dbraw/zinc/21/96/43/552219643.db2.gz FONBWESDXRGETH-RIYZIHGNSA-N -1 0 556.265 5.551 50 30 KKEARM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4[O-])ccc3o2)cc1 ZINC000003066578 552285043 /nfs/dbraw/zinc/28/50/43/552285043.db2.gz PRQDGGLJIFTENX-UVHMKAGCSA-N -1 0 528.244 7.774 50 30 KKEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c1[O-] ZINC000003102965 552288211 /nfs/dbraw/zinc/28/82/11/552288211.db2.gz JQSXEXIIHRXJCK-AUEPDCJTSA-N -1 0 517.133 6.384 50 30 KKEARM O=C(Oc1cccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003113307 552289829 /nfs/dbraw/zinc/28/98/29/552289829.db2.gz KFZXTULWDVNDAB-RWPZCVJISA-N -1 0 524.445 5.987 50 30 KKEARM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)c1[O-] ZINC000003150217 552297485 /nfs/dbraw/zinc/29/74/85/552297485.db2.gz UATGBPOKFXNAAY-PGGKNCGUSA-N -1 0 554.127 6.771 50 30 KKEARM COc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(I)c4[O-])ccc3o2)cc1 ZINC000003184633 552301123 /nfs/dbraw/zinc/30/11/23/552301123.db2.gz QEQYXULKILRDBI-BHGWPJFGSA-N -1 0 549.162 6.327 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(Cc4ccccc4)C3=O)o2)ccc1Cl ZINC000003666382 552409231 /nfs/dbraw/zinc/40/92/31/552409231.db2.gz LHWCVPUNKLPXFU-ZNFUCCHLSA-N -1 0 514.990 7.102 50 30 KKEARM CCCCOC([O-])=NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000003918293 552422275 /nfs/dbraw/zinc/42/22/75/552422275.db2.gz RINPELQWLUGERM-UHFFFAOYSA-N -1 0 582.792 7.005 50 30 in-vivo KKEARM O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Br)cc(Br)c3[O-])cc2)CC1 ZINC000004109773 552438155 /nfs/dbraw/zinc/43/81/55/552438155.db2.gz JSIRSIIEPLCFLT-AFUMVMLFSA-N -1 0 533.220 5.223 50 30 KKEARM N#Cc1c([N-]C(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 ZINC000004208177 552448889 /nfs/dbraw/zinc/44/88/89/552448889.db2.gz MBQTVXUJNOILKR-UHFFFAOYSA-N -1 0 516.294 6.468 50 30 KKEARM CCOC(=O)c1ccccc1C(c1cc(Br)c([O-])c(Br)c1)=C1C=C(Br)C(=O)C(Br)=C1 ZINC000004261803 552454097 /nfs/dbraw/zinc/45/40/97/552454097.db2.gz SQFXATUXPUCFFO-UHFFFAOYSA-N -1 0 661.966 7.036 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000005355402 552498527 /nfs/dbraw/zinc/49/85/27/552498527.db2.gz ZTTPAHRKSMIUSE-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000005919055 552512377 /nfs/dbraw/zinc/51/23/77/552512377.db2.gz NFYUGKOCLDNTME-JOCHJYFZSA-N -1 0 538.597 5.647 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000005919088 552512487 /nfs/dbraw/zinc/51/24/87/552512487.db2.gz UYHZLQLCXOSFCG-QHCPKHFHSA-N -1 0 567.063 6.328 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000005919776 552512663 /nfs/dbraw/zinc/51/26/63/552512663.db2.gz PULSUVPUEGLVNU-QFIPXVFZSA-N -1 0 553.036 5.938 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@H](c2cccs2)C1=C([O-])c1ccc(Cl)cc1 ZINC000006017175 552519914 /nfs/dbraw/zinc/51/99/14/552519914.db2.gz QBMNYVTUWLMCMH-HXUWFJFHSA-N -1 0 588.044 5.382 50 30 KKEARM Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000006023608 552520185 /nfs/dbraw/zinc/52/01/85/552520185.db2.gz FNULANMWENYDFI-HSZRJFAPSA-N -1 0 596.042 5.629 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000006143494 552545169 /nfs/dbraw/zinc/54/51/69/552545169.db2.gz CLEGOJOLOWANOT-QHCPKHFHSA-N -1 0 536.631 5.947 50 30 KKEARM CCCCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146069 552547721 /nfs/dbraw/zinc/54/77/21/552547721.db2.gz SLSQFIMRYDHBPN-UHFFFAOYSA-N -1 0 531.428 5.843 50 30 KKEARM Cc1ccc(Nc2nc(=NN=Cc3cccc([N+](=O)[O-])c3[O-])nc(N3CCC(Cc4ccccc4)CC3)[nH]2)cc1 ZINC000006245538 552574175 /nfs/dbraw/zinc/57/41/75/552574175.db2.gz SQKWIRYJPNULDZ-NDZAJKAJSA-N -1 0 538.612 5.443 50 30 KKEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000006631305 552606480 /nfs/dbraw/zinc/60/64/80/552606480.db2.gz CTWCTISDLKBKAL-YZSQISJMSA-N -1 0 542.657 5.623 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(Oc3ccccc3)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383334 552986187 /nfs/dbraw/zinc/98/61/87/552986187.db2.gz IPBPZHSEKPYXRD-LJAQVGFWSA-N -1 0 635.698 8.291 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008383403 552986531 /nfs/dbraw/zinc/98/65/31/552986531.db2.gz AHXODZTYNANUHV-HSZRJFAPSA-N -1 0 638.952 7.775 50 30 KKEARM CN(C)c1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1 ZINC000008383482 552986783 /nfs/dbraw/zinc/98/67/83/552986783.db2.gz QBCSYXCOUMFUIC-RUZDIDTESA-N -1 0 586.670 6.565 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000008383952 552988091 /nfs/dbraw/zinc/98/80/91/552988091.db2.gz WHKCTFNTUDPLDT-DEOSSOPVSA-N -1 0 608.528 7.975 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(C(C)C)cc3)s2)cc1 ZINC000008384014 552988732 /nfs/dbraw/zinc/98/87/32/552988732.db2.gz ONBSTHHNWJIZGF-MHZLTWQESA-N -1 0 581.719 7.791 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000008396315 552995101 /nfs/dbraw/zinc/99/51/01/552995101.db2.gz UNWYOYLJJQCVAD-UHFFFAOYSA-N -1 0 579.671 5.050 50 30 KKEARM CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc21 ZINC000008396473 552995351 /nfs/dbraw/zinc/99/53/51/552995351.db2.gz CMDVTBKOVHSHJF-UHFFFAOYSA-N -1 0 621.774 7.978 50 30 KKEARM CCCCCCCCCCCCCCc1sc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)nc1-c1ccccc1 ZINC000008398432 552999171 /nfs/dbraw/zinc/99/91/71/552999171.db2.gz VRKYHRMGOWRCPQ-UHFFFAOYSA-N -1 0 587.830 9.346 50 30 KKEARM O=C([O-])CCCCCCCCC#CC#CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000008398841 552999801 /nfs/dbraw/zinc/99/98/01/552999801.db2.gz NCTYZXKPSROXFE-UHFFFAOYSA-N -1 0 550.380 6.657 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000008427602 553020220 /nfs/dbraw/zinc/02/02/20/553020220.db2.gz CYBMQMILUNXGAS-GZIVZEMBSA-N -1 0 589.558 5.913 50 30 KKEARM N#Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000008432802 553027160 /nfs/dbraw/zinc/02/71/60/553027160.db2.gz VUORRXOQXFTQMI-DFXYEROKSA-N -1 0 509.537 5.463 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Br)cc1 ZINC000008437883 553032196 /nfs/dbraw/zinc/03/21/96/553032196.db2.gz OUCVEPXQUBQKJN-UHFFFAOYSA-N -1 0 622.556 6.807 50 30 KKEARM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008437910 553032461 /nfs/dbraw/zinc/03/24/61/553032461.db2.gz OBURLGYFARTVGX-UHFFFAOYSA-N -1 0 614.920 6.578 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccc(Br)cc1 ZINC000008439947 553036258 /nfs/dbraw/zinc/03/62/58/553036258.db2.gz WGMCTADMNJJVJO-FQEVSTJZSA-N -1 0 536.731 6.904 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)ccc1O ZINC000008441147 553039492 /nfs/dbraw/zinc/03/94/92/553039492.db2.gz ARNGKNAOMGZCSL-QFIPXVFZSA-N -1 0 518.547 5.288 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H](c2ccccc2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441206 553039804 /nfs/dbraw/zinc/03/98/04/553039804.db2.gz GABZBWAMDYUSHL-QHCPKHFHSA-N -1 0 525.611 6.360 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1cc2ccccc2o1 ZINC000008441265 553040072 /nfs/dbraw/zinc/04/00/72/553040072.db2.gz XEOVDIIBNWMQMX-HSZRJFAPSA-N -1 0 543.601 6.499 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000008441654 553041435 /nfs/dbraw/zinc/04/14/35/553041435.db2.gz RIJJXMAWOOXCEI-QHCPKHFHSA-N -1 0 535.408 7.441 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000008441751 553042261 /nfs/dbraw/zinc/04/22/61/553042261.db2.gz GNMSVYBOOIBCOP-PMERELPUSA-N -1 0 612.704 7.802 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1O ZINC000008441785 553042346 /nfs/dbraw/zinc/04/23/46/553042346.db2.gz ZGNHSNGTBBMWSE-LJAQVGFWSA-N -1 0 635.723 7.617 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1cc2ccccc2o1 ZINC000008441819 553042504 /nfs/dbraw/zinc/04/25/04/553042504.db2.gz INSGWHZXEZSEEC-QHCPKHFHSA-N -1 0 622.497 7.261 50 30 KKEARM CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000008444211 553049668 /nfs/dbraw/zinc/04/96/68/553049668.db2.gz MVQZLXCTAUEISM-PMERELPUSA-N -1 0 526.633 7.368 50 30 KKEARM COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000008451637 553061735 /nfs/dbraw/zinc/06/17/35/553061735.db2.gz JLTJOIUHMCPCTK-VFHDLGNDSA-N -1 0 536.609 6.781 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc(Cc2ccncc2)cc1 ZINC000008453824 553066951 /nfs/dbraw/zinc/06/69/51/553066951.db2.gz ZRDDVGOPMPJFRB-FSJBWODESA-N -1 0 540.142 5.338 50 30 KKEARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=NS(=O)(=O)c3ccccc3)c3ccc(F)cc3)ccc2Cl)cc1 ZINC000008686787 553115936 /nfs/dbraw/zinc/11/59/36/553115936.db2.gz GTERTOOLLCXWSZ-UHFFFAOYSA-N -1 0 574.055 5.536 50 30 aggregator KKEARM O=C1C(=O)N(c2nc3ccc(Br)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000008694692 553120390 /nfs/dbraw/zinc/12/03/90/553120390.db2.gz AZMDRZOIKIKHJG-HXUWFJFHSA-N -1 0 570.262 6.604 50 30 KKEARM CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000008695576 553122234 /nfs/dbraw/zinc/12/22/34/553122234.db2.gz DGCKDRKRTDKKPI-NDEPHWFRSA-N -1 0 506.599 5.492 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008817097 553152377 /nfs/dbraw/zinc/15/23/77/553152377.db2.gz CEXRSWUHIXTHEW-QFIPXVFZSA-N -1 0 520.538 5.244 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008836676 553163150 /nfs/dbraw/zinc/16/31/50/553163150.db2.gz SEXSWBQPTIBYIW-FQEVSTJZSA-N -1 0 510.999 5.798 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008901725 553182315 /nfs/dbraw/zinc/18/23/15/553182315.db2.gz HBXMZNASBQWDKM-QFIPXVFZSA-N -1 0 506.967 5.750 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008905332 553183680 /nfs/dbraw/zinc/18/36/80/553183680.db2.gz LAGAEHJIWSIZLF-JOCHJYFZSA-N -1 0 506.536 5.088 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000008919185 553188794 /nfs/dbraw/zinc/18/87/94/553188794.db2.gz PJASOWRYNXOEHB-OAQYLSRUSA-N -1 0 506.580 5.200 50 30 KKEARM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(OC)c(Br)c4)nc3c2)c1[O-] ZINC000008935016 553193219 /nfs/dbraw/zinc/19/32/19/553193219.db2.gz NXJOCFVRFAABQU-BRJLIKDPSA-N -1 0 512.316 6.029 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973900 553195527 /nfs/dbraw/zinc/19/55/27/553195527.db2.gz HILLUZFCIUFNFG-HSZRJFAPSA-N -1 0 520.994 6.140 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009008614 553199057 /nfs/dbraw/zinc/19/90/57/553199057.db2.gz METGUHAPAYEERY-QFIPXVFZSA-N -1 0 520.563 5.397 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009012091 553199889 /nfs/dbraw/zinc/19/98/89/553199889.db2.gz MEZMNOLDGUIJQP-HSZRJFAPSA-N -1 0 513.468 5.514 50 30 KKEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)sc1C ZINC000009041127 553202232 /nfs/dbraw/zinc/20/22/32/553202232.db2.gz SXUHVBXUZOTSBL-GOSISDBHSA-N -1 0 503.805 5.959 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000009043395 553202937 /nfs/dbraw/zinc/20/29/37/553202937.db2.gz JQULZTSBYZYPQM-JOCHJYFZSA-N -1 0 503.511 5.743 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000009070434 553207092 /nfs/dbraw/zinc/20/70/92/553207092.db2.gz QVEBURRQPHXAFU-QFIPXVFZSA-N -1 0 506.536 5.088 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000009110412 553210086 /nfs/dbraw/zinc/21/00/86/553210086.db2.gz KVGYXAFVDDITRO-FQEVSTJZSA-N -1 0 502.286 6.251 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009123745 553212535 /nfs/dbraw/zinc/21/25/35/553212535.db2.gz XKEHJZWZHCCZKQ-JOCHJYFZSA-N -1 0 502.548 5.384 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000009175814 553216207 /nfs/dbraw/zinc/21/62/07/553216207.db2.gz OAFUMWCGVBPAFV-FQEVSTJZSA-N -1 0 514.987 5.222 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009185134 553217015 /nfs/dbraw/zinc/21/70/15/553217015.db2.gz MAWVTPXXPIUPOD-JOCHJYFZSA-N -1 0 502.523 5.313 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2cccnc2)cc1 ZINC000009192933 553218959 /nfs/dbraw/zinc/21/89/59/553218959.db2.gz WPCTYBLOLQIKOC-OAQYLSRUSA-N -1 0 500.605 5.317 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000009234513 553224982 /nfs/dbraw/zinc/22/49/82/553224982.db2.gz BSBGAGJEKSAPKA-HNNXBMFYSA-N -1 0 509.392 5.389 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009240104 553226136 /nfs/dbraw/zinc/22/61/36/553226136.db2.gz JGCZZOKMRGONRC-HSZRJFAPSA-N -1 0 504.539 5.626 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009270364 553230223 /nfs/dbraw/zinc/23/02/23/553230223.db2.gz XQVROPNJVUWEAI-YDJIHCHBSA-N -1 0 506.780 5.169 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009271631 553231350 /nfs/dbraw/zinc/23/13/50/553231350.db2.gz IVSYAGHANLVPPI-FQEVSTJZSA-N -1 0 513.413 5.704 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000009280155 553232866 /nfs/dbraw/zinc/23/28/66/553232866.db2.gz GSKVOQPNQDWYLT-LJQANCHMSA-N -1 0 511.353 5.443 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009280170 553233146 /nfs/dbraw/zinc/23/31/46/553233146.db2.gz ABTBBOOURYHACK-JOCHJYFZSA-N -1 0 508.958 6.270 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000009302124 553236217 /nfs/dbraw/zinc/23/62/17/553236217.db2.gz YBZDPECCCBQMQD-FQEVSTJZSA-N -1 0 508.577 5.167 50 30 KKEARM C=CCc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000009310475 553238942 /nfs/dbraw/zinc/23/89/42/553238942.db2.gz ZFKBWBSQFJDXLR-UDWIEESQSA-N -1 0 504.029 5.332 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009329204 553242246 /nfs/dbraw/zinc/24/22/46/553242246.db2.gz KTHRUTZRWJENTO-AREMUKBSSA-N -1 0 520.582 5.742 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000009329484 553242385 /nfs/dbraw/zinc/24/23/85/553242385.db2.gz HNNJYIFHCVQULG-APBUJDDRSA-N -1 0 502.379 5.260 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009357341 553246913 /nfs/dbraw/zinc/24/69/13/553246913.db2.gz CHDTWOHWBIDZTA-HXUWFJFHSA-N -1 0 513.384 5.305 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009375160 553251181 /nfs/dbraw/zinc/25/11/81/553251181.db2.gz ZUQUDOKARGJMAK-DEOSSOPVSA-N -1 0 510.974 5.997 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2ccccc2F)s1 ZINC000009427380 553259852 /nfs/dbraw/zinc/25/98/52/553259852.db2.gz RRTKXFUWDHQQHU-XMMPIXPASA-N -1 0 515.566 5.656 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)ccc1OCc1ccccc1 ZINC000009451750 553265969 /nfs/dbraw/zinc/26/59/69/553265969.db2.gz GFQCIVYTSJTUPH-VWLOTQADSA-N -1 0 500.507 5.255 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000009460942 553267158 /nfs/dbraw/zinc/26/71/58/553267158.db2.gz YIMUDZTWIAUXQA-FQEVSTJZSA-N -1 0 513.384 5.305 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1 ZINC000009462349 553268272 /nfs/dbraw/zinc/26/82/72/553268272.db2.gz QQPSLLOWFXLNTL-IBGZPJMESA-N -1 0 510.593 5.037 50 30 KKEARM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)cc1 ZINC000009462348 553268356 /nfs/dbraw/zinc/26/83/56/553268356.db2.gz QQPSLLOWFXLNTL-LJQANCHMSA-N -1 0 510.593 5.037 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3cccc(Cl)c3)cc2)c1 ZINC000009507707 553275975 /nfs/dbraw/zinc/27/59/75/553275975.db2.gz RDWMCVFEKJBWMM-XMMPIXPASA-N -1 0 517.006 6.467 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1 ZINC000009601058 553286452 /nfs/dbraw/zinc/28/64/52/553286452.db2.gz YPRBGGORIUNKEU-OAQYLSRUSA-N -1 0 504.951 5.519 50 30 KKEARM CC(C)(C)c1csc(-n2[n-]c(-c3ccccc3)c(N=Nc3ccc(C(=O)c4ccccc4)cc3)c2=O)n1 ZINC000009659641 553292953 /nfs/dbraw/zinc/29/29/53/553292953.db2.gz TZYSXMFNRQCLCY-WGPBWIAQSA-N -1 0 507.619 5.891 50 30 KKEARM CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(OCC)c2)S/C1=N\c1cc(Cl)c([O-])c(Cl)c1 ZINC000009763491 553303401 /nfs/dbraw/zinc/30/34/01/553303401.db2.gz QXVMPKBHVCDYJH-MKNVGELUSA-N -1 0 510.443 5.858 50 30 KKEARM Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000012349727 553359126 /nfs/dbraw/zinc/35/91/26/553359126.db2.gz OZZHVUMZXOICRI-WINIVTDRSA-N -1 0 511.603 5.664 50 30 KKEARM CC(=O)c1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013896656 553494882 /nfs/dbraw/zinc/49/48/82/553494882.db2.gz DZXBQQYIDKDCJB-RMLRFSFXSA-N -1 0 510.535 5.140 50 30 KKEARM COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(C(=O)[O-])c4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000016217198 553556973 /nfs/dbraw/zinc/55/69/73/553556973.db2.gz OKHSTLUYKJNUMC-STBIYBPSSA-N -1 0 521.537 5.772 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)c(F)c3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000016730286 553576500 /nfs/dbraw/zinc/57/65/00/553576500.db2.gz IWQLOBGCBOXKES-LJQANCHMSA-N -1 0 514.962 5.512 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccncc3)s2)cc1 ZINC000016749904 553580604 /nfs/dbraw/zinc/58/06/04/553580604.db2.gz KPCHFQAKDVFUQS-NRFANRHFSA-N -1 0 518.595 5.456 50 30 KKEARM COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(F)cc3)C2)cc1OC ZINC000018046874 553602108 /nfs/dbraw/zinc/60/21/08/553602108.db2.gz GFXKHJZEWASCCL-PKHCJMHPSA-N -1 0 544.579 5.608 50 30 KKEARM CC[C@H](C)Oc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccc(OC)c(OC)c3)CC2=Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000070673742 553604115 /nfs/dbraw/zinc/60/41/15/553604115.db2.gz XCWQBYPGBWDIQW-UNWAGXGRSA-N -1 0 598.696 6.647 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/c6cccc([N+](=O)[O-])c6)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000070680399 553604396 /nfs/dbraw/zinc/60/43/96/553604396.db2.gz FXOJJICNCZRBFI-UHQAMQGMSA-N -1 0 587.801 8.899 50 30 biogenic KKEARM N#Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000018115372 553604695 /nfs/dbraw/zinc/60/46/95/553604695.db2.gz VUORRXOQXFTQMI-URAOTHONSA-N -1 0 509.537 5.463 50 30 KKEARM COc1cc2c(c(OC)c1)[C@H](c1ccc(C(=O)[O-])cc1)C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000018198629 553609698 /nfs/dbraw/zinc/60/96/98/553609698.db2.gz XRRATVUXOKDZQE-UZTOHYMASA-N -1 0 515.562 5.377 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(C)c(C)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018198855 553610084 /nfs/dbraw/zinc/61/00/84/553610084.db2.gz BOAKKWDAJKJNKP-NFQMXDRXSA-N -1 0 509.631 6.515 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C\c6ccccc6OC)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000070697394 553612852 /nfs/dbraw/zinc/61/28/52/553612852.db2.gz QWQHLLFAUQXEKW-OGAWKOPMSA-N -1 0 572.830 9.000 50 30 biogenic KKEARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC(=O)NC[C@H](CC(=O)[O-])c1ccccc1 ZINC000070698709 553614707 /nfs/dbraw/zinc/61/47/07/553614707.db2.gz CATZXTDLBUPYIP-FVHXYHCHSA-N -1 0 549.708 5.585 50 30 biogenic KKEARM COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000019848113 553623649 /nfs/dbraw/zinc/62/36/49/553623649.db2.gz CXADKESHBNYKDP-OYLFLEFRSA-N -1 0 524.595 5.218 50 30 KKEARM COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000019890714 553629894 /nfs/dbraw/zinc/62/98/94/553629894.db2.gz ZWUKEZWJFUVDGY-UHFFFAOYSA-N -1 0 501.579 5.081 50 30 KKEARM CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000020265655 553630035 /nfs/dbraw/zinc/63/00/35/553630035.db2.gz DTMBABSMCKJKFF-KRWDZBQOSA-N -1 0 513.226 5.084 50 30 KKEARM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000072191502 553645968 /nfs/dbraw/zinc/64/59/68/553645968.db2.gz PMRWVYVOWMZPJI-UHFFFAOYSA-N -1 0 513.373 5.069 50 30 KKEARM N#Cc1c(=O)[n-]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1ccc(Cl)cc1 ZINC000073411000 553653936 /nfs/dbraw/zinc/65/39/36/553653936.db2.gz KZNANIOGPVFLQB-UHFFFAOYSA-N -1 0 516.910 7.545 50 30 KKEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000020064400 553675077 /nfs/dbraw/zinc/67/50/77/553675077.db2.gz WXEXHCPMCRXCNI-HXUWFJFHSA-N -1 0 506.780 5.326 50 30 KKEARM C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000085877826 553689378 /nfs/dbraw/zinc/68/93/78/553689378.db2.gz UOATUAIEJUBYBT-UHFFFAOYSA-N -1 0 501.539 5.781 50 30 biogenic KKEARM CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c([O-])c1 ZINC000095619723 553706015 /nfs/dbraw/zinc/70/60/15/553706015.db2.gz ZSSVCEUEVMALRD-UHFFFAOYSA-N -1 0 509.694 8.551 50 30 endogenous,in-man KKEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])ccc3c2occ(-c2ccc(O)cc2)c3=O)cc1OC ZINC000096113772 553724267 /nfs/dbraw/zinc/72/42/67/553724267.db2.gz AYCPDCRNRSLQIC-JOCHJYFZSA-N -1 0 516.546 5.530 50 30 biogenic KKEARM C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 ZINC000096115403 553725795 /nfs/dbraw/zinc/72/57/95/553725795.db2.gz ZRIOLZJUVXEDQV-UHFFFAOYSA-N -1 0 513.594 6.943 50 30 biogenic KKEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1OC ZINC000096115567 553726178 /nfs/dbraw/zinc/72/61/78/553726178.db2.gz SKHKIGGIAUBFPO-HXUWFJFHSA-N -1 0 516.546 5.530 50 30 biogenic KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000096610935 553757279 /nfs/dbraw/zinc/75/72/79/553757279.db2.gz VLIOTLHMVKCZJU-OLFWJLLRSA-N -1 0 512.551 5.254 50 30 KKEARM COc1cc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000097939647 553759958 /nfs/dbraw/zinc/75/99/58/553759958.db2.gz XZRLNDZJAIVZRH-MYUZEXMDSA-N -1 0 576.627 5.354 50 30 KKEARM COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1 ZINC000097939706 553760550 /nfs/dbraw/zinc/76/05/50/553760550.db2.gz NWZXCVXQIKRQCP-CLYVBNDRSA-N -1 0 576.627 5.484 50 30 KKEARM FC(F)(F)C(c1nc([N-]c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F ZINC000097940236 553764034 /nfs/dbraw/zinc/76/40/34/553764034.db2.gz QLOFFHKTIIZBRA-UHFFFAOYSA-N -1 0 781.403 5.323 50 30 KKEARM COc1cc(/C=C2\S/C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000097944443 553769595 /nfs/dbraw/zinc/76/95/95/553769595.db2.gz WPHNXQHKYUSFKZ-HABXASAESA-N -1 0 541.629 5.875 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)S/C2=N\c2ccccc2)cc1 ZINC000097944428 553769664 /nfs/dbraw/zinc/76/96/64/553769664.db2.gz UDLBDHHXNBCAOJ-AVFFQYQTSA-N -1 0 632.330 6.488 50 30 KKEARM O=S(=O)([N-]c1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000024800189 553792534 /nfs/dbraw/zinc/79/25/34/553792534.db2.gz BQSKQGGQDUBLNS-UHFFFAOYSA-N -1 0 535.466 6.578 50 30 in-vitro KKEARM CC(C)(C)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3cc(Cl)ccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000097948668 553795830 /nfs/dbraw/zinc/79/58/30/553795830.db2.gz HTESLVSIKXNDFH-XFSFLGPDSA-N -1 0 591.535 8.056 50 30 KKEARM CCCCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1 ZINC000097951386 553808531 /nfs/dbraw/zinc/80/85/31/553808531.db2.gz ZMHGVMGSLUGEAL-UHFFFAOYSA-N -1 0 501.643 5.428 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000097952441 553815728 /nfs/dbraw/zinc/81/57/28/553815728.db2.gz IKQHRQKCDCTUIZ-HSZRJFAPSA-N -1 0 531.546 5.313 50 30 KKEARM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2sccc2C)cc1 ZINC000026718411 553820635 /nfs/dbraw/zinc/82/06/35/553820635.db2.gz MMDNKTXNUZFVKD-UHFFFAOYSA-N -1 0 654.736 7.174 50 30 in-vitro KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)cc1 ZINC000097954694 553824687 /nfs/dbraw/zinc/82/46/87/553824687.db2.gz BXFNEQMPROENDU-MHZLTWQESA-N -1 0 534.609 5.988 50 30 KKEARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000027522507 553829010 /nfs/dbraw/zinc/82/90/10/553829010.db2.gz NDNNZLMEYJSWPS-RPHWMWBOSA-N -1 0 507.999 5.241 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000097955282 553830712 /nfs/dbraw/zinc/83/07/12/553830712.db2.gz CLJYVZNARKAVQD-SHACYNPGSA-N -1 0 533.005 6.065 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000097955617 553832034 /nfs/dbraw/zinc/83/20/34/553832034.db2.gz WMGDDBWGNABGNP-ODCWNRFASA-N -1 0 547.032 6.455 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C/c3cc(Br)c([O-])c(I)c3)S/C2=N\c2ccccc2)cc1 ZINC000097960083 553868071 /nfs/dbraw/zinc/86/80/71/553868071.db2.gz HLEVVXZKWXKFDO-BXHPTCRHSA-N -1 0 621.294 6.572 50 30 KKEARM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000097960107 553868271 /nfs/dbraw/zinc/86/82/71/553868271.db2.gz WPHNXQHKYUSFKZ-ODPBFQBESA-N -1 0 541.629 5.875 50 30 KKEARM COc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)[O-])cc3)S/C2=N\c2ccc(Cl)cc2)cc1 ZINC000097960225 553869252 /nfs/dbraw/zinc/86/92/52/553869252.db2.gz SWEZLFUWLBASFG-RPHWMWBOSA-N -1 0 523.998 5.207 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000097967241 553915769 /nfs/dbraw/zinc/91/57/69/553915769.db2.gz OWCZTBZZPCETNO-SSEXGKCCSA-N -1 0 606.656 7.041 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097967279 553916223 /nfs/dbraw/zinc/91/62/23/553916223.db2.gz DZQMKVZQHDQYQY-LMKMVOKYSA-N -1 0 589.670 6.084 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967298 553916299 /nfs/dbraw/zinc/91/62/99/553916299.db2.gz PATINVOWOKZNQQ-ADXZGYQBSA-N -1 0 678.232 7.778 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967542 553919644 /nfs/dbraw/zinc/91/96/44/553919644.db2.gz HISILXPXQOTWLV-KEEVHDRGSA-N -1 0 692.259 8.168 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc(Br)c1O ZINC000097967527 553919772 /nfs/dbraw/zinc/91/97/72/553919772.db2.gz ZPMIYTGVFDGHRW-MYODQAERSA-N -1 0 627.900 6.533 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967539 553919815 /nfs/dbraw/zinc/91/98/15/553919815.db2.gz HISILXPXQOTWLV-WENCNXQZSA-N -1 0 692.259 8.168 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097967607 553920697 /nfs/dbraw/zinc/92/06/97/553920697.db2.gz YFLJRCRWEHLJFX-AFJIDDCJSA-N -1 0 645.778 7.501 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000097967617 553921143 /nfs/dbraw/zinc/92/11/43/553921143.db2.gz MSGYGRNGFPCIAK-XUSGNXJCSA-N -1 0 629.485 5.211 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(OCCC(C)C)c(OC)c3)sc2c1 ZINC000097967682 553921746 /nfs/dbraw/zinc/92/17/46/553921746.db2.gz WPEBPSGZKKPAGL-SSEXGKCCSA-N -1 0 630.719 6.683 50 30 KKEARM CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)cc1 ZINC000033337562 553921880 /nfs/dbraw/zinc/92/18/80/553921880.db2.gz PXJHRDFNAZQVMR-BKUYFWCQSA-N -1 0 517.485 5.437 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967819 553923639 /nfs/dbraw/zinc/92/36/39/553923639.db2.gz FWQHMKPIXDIPLQ-HSZRJFAPSA-N -1 0 646.961 7.345 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c(N=Nc4ccc(Cl)cc4C(=O)c4ccccc4)c3=O)n2)cc1 ZINC000033353228 553923866 /nfs/dbraw/zinc/92/38/66/553923866.db2.gz OYIRDJGPKCKKBM-ZONNCAFXSA-N -1 0 592.080 6.922 50 30 KKEARM CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2[O-])sc2c1CCN(Cc1ccccc1)C2 ZINC000033353285 553924150 /nfs/dbraw/zinc/92/41/50/553924150.db2.gz PGVDKVPYESUCEH-KKMKTNMSSA-N -1 0 578.326 6.464 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC ZINC000097967889 553924879 /nfs/dbraw/zinc/92/48/79/553924879.db2.gz RRCSXHKNYCYNCU-VWLOTQADSA-N -1 0 578.643 5.396 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000097967890 553924960 /nfs/dbraw/zinc/92/49/60/553924960.db2.gz RHXPHZLYLMAJNT-MUUNZHRXSA-N -1 0 643.743 6.348 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097967924 553925381 /nfs/dbraw/zinc/92/53/81/553925381.db2.gz NNYRPFRHBMAJDH-PMERELPUSA-N -1 0 708.258 8.006 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000097967945 553925452 /nfs/dbraw/zinc/92/54/52/553925452.db2.gz INNULSKXRJOIHE-SSEXGKCCSA-N -1 0 708.258 8.006 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967968 553925594 /nfs/dbraw/zinc/92/55/94/553925594.db2.gz SRQXLHYNTGSNKG-QHCPKHFHSA-N -1 0 630.506 6.830 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097967965 553925859 /nfs/dbraw/zinc/92/58/59/553925859.db2.gz WODLKXMAWUSWBT-HSZRJFAPSA-N -1 0 596.061 6.177 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000097967985 553926076 /nfs/dbraw/zinc/92/60/76/553926076.db2.gz VGQJLTLQXBEQBN-UUWRZZSWSA-N -1 0 723.873 8.505 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097967995 553926085 /nfs/dbraw/zinc/92/60/85/553926085.db2.gz DBRZIJQTLFVCMZ-SANMLTNESA-N -1 0 619.696 6.312 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968025 553926608 /nfs/dbraw/zinc/92/66/08/553926608.db2.gz IOYMXDUSHLXLET-HSZRJFAPSA-N -1 0 578.071 6.038 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000097968067 553926927 /nfs/dbraw/zinc/92/69/27/553926927.db2.gz GXCYNRVWAYZCIF-DEOSSOPVSA-N -1 0 608.097 6.047 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097968065 553927007 /nfs/dbraw/zinc/92/70/07/553927007.db2.gz WSOFNDMMPXWPNK-NDEPHWFRSA-N -1 0 663.749 6.711 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968057 553927061 /nfs/dbraw/zinc/92/70/61/553927061.db2.gz BZVAKFLIKXDIKU-PMERELPUSA-N -1 0 691.803 7.491 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3cccc4ccccc43)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968094 553927569 /nfs/dbraw/zinc/92/75/69/553927569.db2.gz GEWMAJFXGGTLMA-HHHXNRCGSA-N -1 0 628.131 7.191 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097968129 553927869 /nfs/dbraw/zinc/92/78/69/553927869.db2.gz PBHQDNYFMDEVKP-NDEPHWFRSA-N -1 0 629.760 6.954 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1 ZINC000097968145 553928313 /nfs/dbraw/zinc/92/83/13/553928313.db2.gz MVXYXUFQMWNOSH-VWLOTQADSA-N -1 0 615.689 5.480 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000097968136 553928432 /nfs/dbraw/zinc/92/84/32/553928432.db2.gz WDSYBBCGYMQJDO-MUUNZHRXSA-N -1 0 647.750 7.093 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccccc3Cl)s2)[C@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097968214 553929090 /nfs/dbraw/zinc/92/90/90/553929090.db2.gz WOMQDJRIBDVRQM-HSZRJFAPSA-N -1 0 596.061 6.177 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000097968220 553929108 /nfs/dbraw/zinc/92/91/08/553929108.db2.gz GXTGLEXZEVHBKH-JGCGQSQUSA-N -1 0 711.793 7.501 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097968195 553929144 /nfs/dbraw/zinc/92/91/44/553929144.db2.gz VRPMESVZMZDYCU-NDEPHWFRSA-N -1 0 698.650 8.116 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000097968239 553929644 /nfs/dbraw/zinc/92/96/44/553929644.db2.gz NHTVTTIVFVBWIL-IZHWHUGBSA-N -1 0 594.089 6.729 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000097968265 553929919 /nfs/dbraw/zinc/92/99/19/553929919.db2.gz JGABDXVDFVQRKG-DEOSSOPVSA-N -1 0 573.652 5.393 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@H](CC(=O)Nc1cccc(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1)C(=O)[O-] ZINC000033354589 553930238 /nfs/dbraw/zinc/93/02/38/553930238.db2.gz HBGGZKGRNDVBFB-HHHXNRCGSA-N -1 0 722.198 11.490 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097968330 553930793 /nfs/dbraw/zinc/93/07/93/553930793.db2.gz GFBSCROUDFEXJT-VWLOTQADSA-N -1 0 562.644 5.633 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000097968381 553931396 /nfs/dbraw/zinc/93/13/96/553931396.db2.gz OLDFETPQTWZVCQ-QJWGWKRISA-N -1 0 716.668 8.823 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000097968437 553932443 /nfs/dbraw/zinc/93/24/43/553932443.db2.gz CHDCRFVMAUAFHG-NDEPHWFRSA-N -1 0 663.749 6.711 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1[O-] ZINC000033355646 553935745 /nfs/dbraw/zinc/93/57/45/553935745.db2.gz GMCUHKJVWDYORJ-HFJWLAOPSA-N -1 0 546.601 5.476 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)nc1C ZINC000097969225 553938319 /nfs/dbraw/zinc/93/83/19/553938319.db2.gz MBVPNRQPYLXGBK-MHZLTWQESA-N -1 0 644.702 5.934 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969263 553938718 /nfs/dbraw/zinc/93/87/18/553938718.db2.gz FLXMOMVRKGMXGF-LGGPFLRQSA-N -1 0 627.788 7.506 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000097969296 553939184 /nfs/dbraw/zinc/93/91/84/553939184.db2.gz WUUBQBIYFDFACY-NGOKVRLYSA-N -1 0 613.761 7.116 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3F)s2)cc1 ZINC000097969301 553939233 /nfs/dbraw/zinc/93/92/33/553939233.db2.gz ZBWYUCRNHVOJPS-CRICUBBOSA-N -1 0 573.671 6.384 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000097969297 553939391 /nfs/dbraw/zinc/93/93/91/553939391.db2.gz KRRUGKLDGCKFSV-MUUNZHRXSA-N -1 0 602.665 6.047 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Br)c3)ccc2O1 ZINC000097969361 553940251 /nfs/dbraw/zinc/94/02/51/553940251.db2.gz VUOXJNAFLMSOLU-NPMABZOXSA-N -1 0 581.875 6.819 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000097969781 553944941 /nfs/dbraw/zinc/94/49/41/553944941.db2.gz MURYTZLSDOZNHE-WYOOIXGGSA-N -1 0 677.848 8.515 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000097969824 553945402 /nfs/dbraw/zinc/94/54/02/553945402.db2.gz OWHLHBIBEKTIQW-QLXKLKPCSA-N -1 0 620.152 6.989 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000097969854 553945990 /nfs/dbraw/zinc/94/59/90/553945990.db2.gz VLOZWWNIBNGGET-WENCNXQZSA-N -1 0 692.259 8.168 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000097969936 553947318 /nfs/dbraw/zinc/94/73/18/553947318.db2.gz QPJGNPJEKWYLAM-LMKMVOKYSA-N -1 0 617.680 5.862 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000097970088 553949592 /nfs/dbraw/zinc/94/95/92/553949592.db2.gz ZNGDINUGIZESKQ-SONOPUAISA-N -1 0 649.750 6.877 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000097970122 553949866 /nfs/dbraw/zinc/94/98/66/553949866.db2.gz DEDRDSFMKAOMOW-UZTOHYMASA-N -1 0 599.734 6.644 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000097970179 553950383 /nfs/dbraw/zinc/95/03/83/553950383.db2.gz KVDBZCQTBICYFG-VWLOTQADSA-N -1 0 592.670 5.607 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000097970191 553950874 /nfs/dbraw/zinc/95/08/74/553950874.db2.gz OHNHVGRDRMNJPG-BGOLNKOXSA-N -1 0 689.831 8.044 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000097970218 553951227 /nfs/dbraw/zinc/95/12/27/553951227.db2.gz XDUHDAMLSZHPOU-SONOPUAISA-N -1 0 696.678 8.813 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000097970248 553951556 /nfs/dbraw/zinc/95/15/56/553951556.db2.gz MHLZOTAOWYRUMM-HMILPKGGSA-N -1 0 631.751 7.255 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970308 553952439 /nfs/dbraw/zinc/95/24/39/553952439.db2.gz QRXDUXYNRKKYKY-NDEPHWFRSA-N -1 0 624.671 5.927 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000097970307 553952581 /nfs/dbraw/zinc/95/25/81/553952581.db2.gz QRXDUXYNRKKYKY-MUUNZHRXSA-N -1 0 624.671 5.927 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970346 553952923 /nfs/dbraw/zinc/95/29/23/553952923.db2.gz OSIXMIRGXPJXFD-MYUZEXMDSA-N -1 0 634.179 7.379 50 30 KKEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000097970348 553952928 /nfs/dbraw/zinc/95/29/28/553952928.db2.gz OSIXMIRGXPJXFD-CLYVBNDRSA-N -1 0 634.179 7.379 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970383 553953328 /nfs/dbraw/zinc/95/33/28/553953328.db2.gz BPQRJPOIVLJXGC-PMERELPUSA-N -1 0 630.719 6.827 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000097970382 553953390 /nfs/dbraw/zinc/95/33/90/553953390.db2.gz BPQRJPOIVLJXGC-SSEXGKCCSA-N -1 0 630.719 6.827 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)cc2)nc1C ZINC000097970636 553956674 /nfs/dbraw/zinc/95/66/74/553956674.db2.gz WHAPRQVNYBETND-LJAQVGFWSA-N -1 0 624.715 6.863 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000097970635 553956679 /nfs/dbraw/zinc/95/66/79/553956679.db2.gz WHAPRQVNYBETND-GDLZYMKVSA-N -1 0 624.715 6.863 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000097970650 553957172 /nfs/dbraw/zinc/95/71/72/553957172.db2.gz QAXDMWSCTJDGAS-JOCHJYFZSA-N -1 0 583.847 6.266 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000097970721 553957877 /nfs/dbraw/zinc/95/78/77/553957877.db2.gz IETXFNQHGFZMEB-UKPGIYTDSA-N -1 0 706.286 8.414 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000097971005 553960294 /nfs/dbraw/zinc/96/02/94/553960294.db2.gz CEBSPPRAJLXWHM-SANMLTNESA-N -1 0 647.547 7.061 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000097970981 553960327 /nfs/dbraw/zinc/96/03/27/553960327.db2.gz SWWMGYQBJVKDFO-SANMLTNESA-N -1 0 603.096 6.952 50 30 KKEARM O=[N+]([O-])c1cccc(CN=Nc2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCCC3)n2)c1[O-] ZINC000034098740 553980686 /nfs/dbraw/zinc/98/06/86/553980686.db2.gz PWPQGCPVOBOUJZ-ZTKZIYFRSA-N -1 0 524.585 5.782 50 30 KKEARM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000034169080 553980976 /nfs/dbraw/zinc/98/09/76/553980976.db2.gz FTQDJVZNPJRVPG-UTBRBDPDSA-N -1 0 512.731 6.983 50 30 biogenic,in-vitro KKEARM COc1ccc(NS(=O)(=O)c2cccc(N=NC(C(=O)c3ccccc3)=C([O-])c3ccccc3)c2)cc1Br ZINC000097982659 554004337 /nfs/dbraw/zinc/00/43/37/554004337.db2.gz BZEIFLWOWVENNZ-UHFFFAOYSA-N -1 0 592.471 5.792 50 30 KKEARM CCCCCCCCOc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000097983797 554011919 /nfs/dbraw/zinc/01/19/19/554011919.db2.gz SLCVXBPHSRHKBV-UHFFFAOYSA-N -1 0 540.682 6.253 50 30 KKEARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](CC)Sc1nc(-c3cccc(OC)c3)c(C#N)c(=O)[n-]1)CCCC2 ZINC000097995357 554034020 /nfs/dbraw/zinc/03/40/20/554034020.db2.gz QPKWGPFJCHPUQJ-LJQANCHMSA-N -1 0 552.678 5.356 50 30 KKEARM COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCC(=O)[O-])C3=C2C(=O)CC(C)(C)C3)cc(I)c1OCc1cccc2ccccc21 ZINC000097995603 554036449 /nfs/dbraw/zinc/03/64/49/554036449.db2.gz GJJNVLVJTCOKJH-UHFFFAOYSA-N -1 0 733.643 8.192 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1Br ZINC000097997800 554040622 /nfs/dbraw/zinc/04/06/22/554040622.db2.gz NKWAJFXJQRNFKR-ULJHMMPZSA-N -1 0 519.222 5.526 50 30 KKEARM CN=C(Nc1cc(Cl)c([O-])c(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OC(F)(F)Cl)cc2)C1=O ZINC000098003553 554055074 /nfs/dbraw/zinc/05/50/74/554055074.db2.gz BHIBTDBQSBPKCI-AWEZNQCLSA-N -1 0 524.760 5.330 50 30 KKEARM N#Cc1c([N-]C(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000098042952 554123627 /nfs/dbraw/zinc/12/36/27/554123627.db2.gz JZGCJHHZMSHDCZ-UHFFFAOYSA-N -1 0 530.321 6.858 50 30 KKEARM Cc1ccc(-c2csc(-n3[n-]c(-c4ccccc4)c([C@H](c4ccc(Cl)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000098044802 554129787 /nfs/dbraw/zinc/12/97/87/554129787.db2.gz NYZLFEYXFUWBDQ-FTJBHMTQSA-N -1 0 522.033 6.586 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2cccc(F)c2)cc1 ZINC000098046443 554138957 /nfs/dbraw/zinc/13/89/57/554138957.db2.gz CHSCVLUOOCISRL-VWLOTQADSA-N -1 0 575.687 6.931 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000098046486 554139958 /nfs/dbraw/zinc/13/99/58/554139958.db2.gz BHSWADAYPFUYAB-RUZDIDTESA-N -1 0 610.132 7.585 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000098046490 554140001 /nfs/dbraw/zinc/14/00/01/554140001.db2.gz PYEFWAUTOVLGCH-XMMPIXPASA-N -1 0 612.104 6.813 50 30 KKEARM Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)o1 ZINC000098046538 554140194 /nfs/dbraw/zinc/14/01/94/554140194.db2.gz VIUOAMYZWNSOLV-QFIPXVFZSA-N -1 0 564.044 6.914 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098046662 554141984 /nfs/dbraw/zinc/14/19/84/554141984.db2.gz OMQBYGWVLXTHBT-NRFANRHFSA-N -1 0 551.577 5.108 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3sc(C)nc3C)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000098046638 554142025 /nfs/dbraw/zinc/14/20/25/554142025.db2.gz KSCFUIGABHQALK-FQEVSTJZSA-N -1 0 568.677 5.834 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000098046701 554142817 /nfs/dbraw/zinc/14/28/17/554142817.db2.gz PGPJTLJZIMDHHA-SSEXGKCCSA-N -1 0 589.673 7.309 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000098047051 554146084 /nfs/dbraw/zinc/14/60/84/554146084.db2.gz XOTCKXSCVGPBTK-NRFANRHFSA-N -1 0 541.025 5.772 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000098047237 554147965 /nfs/dbraw/zinc/14/79/65/554147965.db2.gz GDXKHTHUIUZHTR-AREMUKBSSA-N -1 0 583.666 6.920 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccs2)cc1F ZINC000098047239 554148347 /nfs/dbraw/zinc/14/83/47/554148347.db2.gz IICSRHYYLFUVJF-XMMPIXPASA-N -1 0 573.696 7.276 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000098047242 554148461 /nfs/dbraw/zinc/14/84/61/554148461.db2.gz UMQRQJREORCZEH-SANMLTNESA-N -1 0 612.664 7.122 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1F ZINC000098047238 554148479 /nfs/dbraw/zinc/14/84/79/554148479.db2.gz GDXKHTHUIUZHTR-SANMLTNESA-N -1 0 583.666 6.920 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)c(OC)c2)cc1F ZINC000098047272 554148910 /nfs/dbraw/zinc/14/89/10/554148910.db2.gz QXUUWWKNXFRSSJ-MHZLTWQESA-N -1 0 629.691 6.628 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000098047305 554149148 /nfs/dbraw/zinc/14/91/48/554149148.db2.gz PYXXIYCIDUVMRH-HHHXNRCGSA-N -1 0 617.749 6.809 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047340 554149647 /nfs/dbraw/zinc/14/96/47/554149647.db2.gz SQQJPUYUWKIEGA-WJOKGBTCSA-N -1 0 667.784 8.724 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000098047349 554149651 /nfs/dbraw/zinc/14/96/51/554149651.db2.gz IWYXEXXMJVOLMG-MHZLTWQESA-N -1 0 635.739 6.949 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000098047357 554149671 /nfs/dbraw/zinc/14/96/71/554149671.db2.gz PTWBRFSRVYCJLL-HKBQPEDESA-N -1 0 684.239 9.238 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4Cl)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000098047388 554150106 /nfs/dbraw/zinc/15/01/06/554150106.db2.gz FYBVNYSRUDRWQU-JOCHJYFZSA-N -1 0 631.494 7.276 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)c(C)c3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098047443 554150962 /nfs/dbraw/zinc/15/09/62/554150962.db2.gz SCVQCIRACJXZAH-QHCPKHFHSA-N -1 0 567.063 6.328 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000098047421 554150966 /nfs/dbraw/zinc/15/09/66/554150966.db2.gz HHLJAFVNDMXFRF-NDEPHWFRSA-N -1 0 633.767 7.720 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047466 554151455 /nfs/dbraw/zinc/15/14/55/554151455.db2.gz BSGQBJRBKLSKTH-JGCGQSQUSA-N -1 0 698.266 9.025 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccc(Cl)cc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047509 554151692 /nfs/dbraw/zinc/15/16/92/554151692.db2.gz XRZGQHXLAUBECL-AREMUKBSSA-N -1 0 650.178 7.232 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC(C)C)s2)cc1OC ZINC000098047499 554151699 /nfs/dbraw/zinc/15/16/99/554151699.db2.gz XHJKVJKVUISHKB-MUUNZHRXSA-N -1 0 634.751 6.800 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047491 554151795 /nfs/dbraw/zinc/15/17/95/554151795.db2.gz QLOYZZBRQPVIPV-HSZRJFAPSA-N -1 0 578.643 5.377 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OC ZINC000098047503 554151833 /nfs/dbraw/zinc/15/18/33/554151833.db2.gz GTPNYNQOBIBJLD-GDLZYMKVSA-N -1 0 661.777 7.505 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2ccccc2F)cc1 ZINC000098047613 554153596 /nfs/dbraw/zinc/15/35/96/554153596.db2.gz FOCQYMYLNIKFEL-RUZDIDTESA-N -1 0 593.677 7.070 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000098047624 554153666 /nfs/dbraw/zinc/15/36/66/554153666.db2.gz DUIUQBSRWUFXNQ-YTTGMZPUSA-N -1 0 705.874 8.899 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000098047657 554153896 /nfs/dbraw/zinc/15/38/96/554153896.db2.gz WVGLVAZVINLUGC-AREMUKBSSA-N -1 0 615.733 6.579 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCCC)c(OCC)c2)cc1 ZINC000098047634 554153920 /nfs/dbraw/zinc/15/39/20/554153920.db2.gz XQDRIVMCZCZUGG-NDEPHWFRSA-N -1 0 636.767 7.168 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098047647 554153963 /nfs/dbraw/zinc/15/39/63/554153963.db2.gz XJPWRNLEOMYDTM-RUZDIDTESA-N -1 0 620.684 6.840 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047723 554155016 /nfs/dbraw/zinc/15/50/16/554155016.db2.gz IQCIFSBJYXWLFJ-SSEXGKCCSA-N -1 0 655.773 8.093 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047735 554155261 /nfs/dbraw/zinc/15/52/61/554155261.db2.gz XLKVBCMLPBEELP-HHHXNRCGSA-N -1 0 613.692 6.923 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047786 554155798 /nfs/dbraw/zinc/15/57/98/554155798.db2.gz BAULOLQFZLULCL-LJAQVGFWSA-N -1 0 639.755 7.182 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1OC ZINC000098047807 554156157 /nfs/dbraw/zinc/15/61/57/554156157.db2.gz FMPLMMDLHAIDCC-MGBGTMOVSA-N -1 0 687.799 8.576 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2ccc(O)cc2)cc1OC ZINC000098047804 554156286 /nfs/dbraw/zinc/15/62/86/554156286.db2.gz LSGFQAXKPDRSOL-MHZLTWQESA-N -1 0 611.701 6.489 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098047840 554156573 /nfs/dbraw/zinc/15/65/73/554156573.db2.gz YAUOAKWJPBXHIK-HKBQPEDESA-N -1 0 653.801 8.783 50 30 KKEARM CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047829 554156655 /nfs/dbraw/zinc/15/66/55/554156655.db2.gz JSKJPLZOMCIPSO-JGCGQSQUSA-N -1 0 683.827 8.792 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@H]2c2cccnc2)cc1OC ZINC000098047852 554157086 /nfs/dbraw/zinc/15/70/86/554157086.db2.gz XVXJSARXOYTFLH-SANMLTNESA-N -1 0 596.690 6.179 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000098047915 554157709 /nfs/dbraw/zinc/15/77/09/554157709.db2.gz FJPYVJJYGLDPQW-MUUNZHRXSA-N -1 0 627.719 7.231 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000098048935 554162380 /nfs/dbraw/zinc/16/23/80/554162380.db2.gz XQUIVIWJFLGRJN-LJAQVGFWSA-N -1 0 676.845 8.597 50 30 KKEARM CCCCCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2N)[nH]1 ZINC000098050390 554174421 /nfs/dbraw/zinc/17/44/21/554174421.db2.gz PADURSPJUMDAOR-UHFFFAOYSA-N -1 0 535.795 8.040 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C)c(Br)c4)c3=O)n2)cc1 ZINC000100005889 554177957 /nfs/dbraw/zinc/17/79/57/554177957.db2.gz RPMXTRQPFZJBSJ-KRUMMXJUSA-N -1 0 591.447 6.017 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c([C@@H](c4ccc(Br)cc4)C(C#N)C#N)c3=O)n2)cc1 ZINC000100006129 554178297 /nfs/dbraw/zinc/17/82/97/554178297.db2.gz QLCSZHOXWNOXHE-VXKWHMMOSA-N -1 0 520.412 5.367 50 30 KKEARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000100008246 554179580 /nfs/dbraw/zinc/17/95/80/554179580.db2.gz KGXTYHOZQYVNGB-UHFFFAOYSA-N -1 0 516.179 6.306 50 30 KKEARM COc1ccc(/N=C/c2cc(I)cc(I)c2[O-])cc1Cl ZINC000100038476 554191584 /nfs/dbraw/zinc/19/15/84/554191584.db2.gz UDOPCTXNGMYRQI-CNHKJKLMSA-N -1 0 513.500 5.014 50 30 KKEARM Cc1ccccc1-c1nc2cc(/N=C/c3cc(I)cc(I)c3[O-])ccc2o1 ZINC000100046350 554193882 /nfs/dbraw/zinc/19/38/82/554193882.db2.gz KGKLGBGAOLZEOV-BHGWPJFGSA-N -1 0 580.163 6.469 50 30 KKEARM CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000100129983 554225771 /nfs/dbraw/zinc/22/57/71/554225771.db2.gz ZVZSFLKQRWJLFX-KHJLOBSHSA-N -1 0 566.035 5.375 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1Br ZINC000100149408 554231318 /nfs/dbraw/zinc/23/13/18/554231318.db2.gz NKWAJFXJQRNFKR-JJIBRWJFSA-N -1 0 519.222 5.526 50 30 KKEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100150571 554231382 /nfs/dbraw/zinc/23/13/82/554231382.db2.gz DMCGFEMSHKFEBM-JJKYIXSRSA-N -1 0 544.980 5.793 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100149531 554231393 /nfs/dbraw/zinc/23/13/93/554231393.db2.gz WCFPFJPBLIWEDS-LFVJCYFKSA-N -1 0 509.762 5.869 50 30 KKEARM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000100192688 554245077 /nfs/dbraw/zinc/24/50/77/554245077.db2.gz MCGQYBRIEPGSIE-RGVLZGJSSA-N -1 0 536.769 5.220 50 30 KKEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000100229702 554255077 /nfs/dbraw/zinc/25/50/77/554255077.db2.gz PRJQMUUABYZLEP-SANMLTNESA-N -1 0 564.391 6.271 50 30 KKEARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Br)c1OCC#N ZINC000100230261 554256239 /nfs/dbraw/zinc/25/62/39/554256239.db2.gz VHJHWUQVPWFFDC-WYMPLXKRSA-N -1 0 604.501 5.884 50 30 KKEARM C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000100235484 554258306 /nfs/dbraw/zinc/25/83/06/554258306.db2.gz FEGGZOONVLYMSL-OEAKJJBVSA-N -1 0 547.405 5.432 50 30 KKEARM C=CCc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000100235694 554258337 /nfs/dbraw/zinc/25/83/37/554258337.db2.gz CTWCTISDLKBKAL-ONUIUJJFSA-N -1 0 542.657 5.623 50 30 KKEARM COC(=O)c1ccc(COc2ccc(/C=C/C(=O)c3ccc(OC)c(CSCC(=O)[O-])c3)cc2OC)cc1 ZINC000038140425 554263359 /nfs/dbraw/zinc/26/33/59/554263359.db2.gz CZTUKEFZPSLDHS-IZZDOVSWSA-N -1 0 536.602 5.283 50 30 KKEARM COc1ccc(/N=C2\S/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000100276088 554272742 /nfs/dbraw/zinc/27/27/42/554272742.db2.gz WZPMXNLVZLIWBV-VNKJZNQASA-N -1 0 527.602 5.487 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000053253937 554330457 /nfs/dbraw/zinc/33/04/57/554330457.db2.gz YZYKCKKKJRAPFR-QFIPXVFZSA-N -1 0 548.573 5.175 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000053290480 554331323 /nfs/dbraw/zinc/33/13/23/554331323.db2.gz FDVZPINBCPTXSE-OAQYLSRUSA-N -1 0 521.392 5.850 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053290932 554331573 /nfs/dbraw/zinc/33/15/73/554331573.db2.gz ACDYQKKXHCXQBS-OAQYLSRUSA-N -1 0 522.604 5.557 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000053291963 554331850 /nfs/dbraw/zinc/33/18/50/554331850.db2.gz LVMFYRTUNRASPR-NRFANRHFSA-N -1 0 539.382 5.989 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000053291944 554331910 /nfs/dbraw/zinc/33/19/10/554331910.db2.gz UXHQWFYGRDMQAL-JOCHJYFZSA-N -1 0 519.966 6.258 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000053291960 554331953 /nfs/dbraw/zinc/33/19/53/554331953.db2.gz LVMFYRTUNRASPR-OAQYLSRUSA-N -1 0 539.382 5.989 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000053305881 554332786 /nfs/dbraw/zinc/33/27/86/554332786.db2.gz PSTBBKLTXWZSBA-QFIPXVFZSA-N -1 0 541.412 6.403 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053305841 554332884 /nfs/dbraw/zinc/33/28/84/554332884.db2.gz IPPYSMWNSXICDU-QFIPXVFZSA-N -1 0 535.965 6.040 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000053306269 554333571 /nfs/dbraw/zinc/33/35/71/554333571.db2.gz HEQOALRPSGNUFR-HSZRJFAPSA-N -1 0 531.546 5.395 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000053306245 554333614 /nfs/dbraw/zinc/33/36/14/554333614.db2.gz BGYKPFGTLJZUAJ-QHCPKHFHSA-N -1 0 531.546 5.395 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000053306820 554334450 /nfs/dbraw/zinc/33/44/50/554334450.db2.gz JRMICMNWKBFTPR-HSZRJFAPSA-N -1 0 536.993 5.758 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000053306757 554334473 /nfs/dbraw/zinc/33/44/73/554334473.db2.gz UPODBMJPAIOXNH-JCQPUDPBSA-N -1 0 547.976 5.964 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000053307957 554335560 /nfs/dbraw/zinc/33/55/60/554335560.db2.gz VKUYIOYCAAFVHJ-HSZRJFAPSA-N -1 0 551.020 6.149 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000053319171 554336392 /nfs/dbraw/zinc/33/63/92/554336392.db2.gz LBUJHUFWOPVDSR-OAQYLSRUSA-N -1 0 583.460 5.657 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(Br)cc3)nc2c(C)c1 ZINC000053319317 554337268 /nfs/dbraw/zinc/33/72/68/554337268.db2.gz SZOMMJMIHKBFGV-JOCHJYFZSA-N -1 0 553.865 7.112 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)ccc1O ZINC000053319433 554337870 /nfs/dbraw/zinc/33/78/70/554337870.db2.gz VYQOMMAJMRTHAE-RUZDIDTESA-N -1 0 543.601 5.231 50 30 KKEARM COc1cccc([C@H]2C(=C([O-])c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000053319487 554338237 /nfs/dbraw/zinc/33/82/37/554338237.db2.gz UQLBIMUIWPGYPC-VWLOTQADSA-N -1 0 527.602 5.525 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000053319459 554338251 /nfs/dbraw/zinc/33/82/51/554338251.db2.gz FXYQDBRJQREDIP-JCQPUDPBSA-N -1 0 547.976 5.964 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2ccccc2F)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000053332937 554339282 /nfs/dbraw/zinc/33/92/82/554339282.db2.gz WECPHTCPZGNQCZ-QFIPXVFZSA-N -1 0 522.941 5.643 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccc(Cl)c3)s2)cc1 ZINC000053335400 554341057 /nfs/dbraw/zinc/34/10/57/554341057.db2.gz AZYXLUOLMQKORJ-CRICUBBOSA-N -1 0 590.126 6.899 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000053335814 554341374 /nfs/dbraw/zinc/34/13/74/554341374.db2.gz XMKXQFOJCBBJPM-XMMPIXPASA-N -1 0 559.556 5.157 50 30 KKEARM Cc1cccc(COc2ccc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000053338201 554342734 /nfs/dbraw/zinc/34/27/34/554342734.db2.gz QNSTYPFZIKYSGC-DEOSSOPVSA-N -1 0 527.558 5.722 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000053339857 554343862 /nfs/dbraw/zinc/34/38/62/554343862.db2.gz DZQMKVZQHDQYQY-PUAOIOHZSA-N -1 0 589.670 6.084 50 30 KKEARM COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059595969 554408585 /nfs/dbraw/zinc/40/85/85/554408585.db2.gz QTJIQAZNCSNGEQ-WXTAPIANSA-N -1 0 530.533 5.007 50 30 KKEARM O=c1c(N=Nc2ccc(Br)cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000100512215 554408719 /nfs/dbraw/zinc/40/87/19/554408719.db2.gz OBOUFGRHXZHTCO-XAYXJRQQSA-N -1 0 502.397 5.792 50 30 KKEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccccc1I ZINC000100527892 554410360 /nfs/dbraw/zinc/41/03/60/554410360.db2.gz SJWPYGXHUDMFQQ-JJIBRWJFSA-N -1 0 521.771 5.259 50 30 KKEARM O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])c1)c1ccccc1Cl ZINC000100539787 554412807 /nfs/dbraw/zinc/41/28/07/554412807.db2.gz YAVWIUFABYRDPQ-OKCVXOCRSA-N -1 0 520.372 7.201 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc([N+](=O)[O-])c1[O-] ZINC000059626443 554414787 /nfs/dbraw/zinc/41/47/87/554414787.db2.gz CEKMQVFCXGHDIJ-WVDZOPJMSA-N -1 0 531.565 5.696 50 30 KKEARM CC[C@@H](Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[n-]1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000059735669 554427430 /nfs/dbraw/zinc/42/74/30/554427430.db2.gz MTGHGAVCHQLNDR-JOCHJYFZSA-N -1 0 526.643 6.430 50 30 KKEARM CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059835544 554437283 /nfs/dbraw/zinc/43/72/83/554437283.db2.gz WDINUCGUCYAZPN-JYRCXFKTSA-N -1 0 531.565 5.696 50 30 KKEARM CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-] ZINC000059835540 554437314 /nfs/dbraw/zinc/43/73/14/554437314.db2.gz WDINUCGUCYAZPN-HPGBDJQBSA-N -1 0 531.565 5.696 50 30 KKEARM CCCCCCCCCCCCCCCCCC1=[NH+]n2c3ccc(S(=O)(=O)[O-])cc3nc2[C@H]1S(=O)(=O)[O-] ZINC000100664379 554439678 /nfs/dbraw/zinc/43/96/78/554439678.db2.gz ODSWOIJCXMWVDD-VWLOTQADSA-N -1 0 555.763 6.691 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000100675452 554443616 /nfs/dbraw/zinc/44/36/16/554443616.db2.gz GFZWVJCYVXVZES-XMMPIXPASA-N -1 0 562.644 5.765 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC(C)C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000100678335 554444915 /nfs/dbraw/zinc/44/49/15/554444915.db2.gz HWYCZCRKQABHDR-AREMUKBSSA-N -1 0 608.713 6.243 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100679417 554445286 /nfs/dbraw/zinc/44/52/86/554445286.db2.gz ABPVTEHGLUEXTL-JOCHJYFZSA-N -1 0 555.052 6.243 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1 ZINC000100679975 554446173 /nfs/dbraw/zinc/44/61/73/554446173.db2.gz DHNKAEZRYGWPMW-MHZLTWQESA-N -1 0 622.740 6.778 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2ccc(OCC)cc2)nc1C ZINC000100680325 554446291 /nfs/dbraw/zinc/44/62/91/554446291.db2.gz TZECJJGUMJKJPK-RUZDIDTESA-N -1 0 576.671 6.155 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000100680321 554446300 /nfs/dbraw/zinc/44/63/00/554446300.db2.gz VKUNHJRFUUZICL-QHCPKHFHSA-N -1 0 550.608 5.895 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100680281 554446529 /nfs/dbraw/zinc/44/65/29/554446529.db2.gz JFXWOLRYZGRNCK-QFIPXVFZSA-N -1 0 599.503 6.353 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000100680978 554446741 /nfs/dbraw/zinc/44/67/41/554446741.db2.gz CPFBUAZHAKTDQY-HSZRJFAPSA-N -1 0 550.633 5.599 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2cccc(Br)c2)nc1C ZINC000100681040 554447152 /nfs/dbraw/zinc/44/71/52/554447152.db2.gz UHKWSULGAOLKKC-QHCPKHFHSA-N -1 0 611.514 6.519 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000100681036 554447220 /nfs/dbraw/zinc/44/72/20/554447220.db2.gz UHKWSULGAOLKKC-HSZRJFAPSA-N -1 0 611.514 6.519 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCCC)cc3)[C@@H]2c2ccc(Br)cc2)nc1C ZINC000100681032 554447258 /nfs/dbraw/zinc/44/72/58/554447258.db2.gz HSBPHUYXEVTIDZ-QHCPKHFHSA-N -1 0 611.514 6.519 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000100681137 554447626 /nfs/dbraw/zinc/44/76/26/554447626.db2.gz CIZFQEYZUKVSNA-NRFANRHFSA-N -1 0 585.476 5.962 50 30 KKEARM CCCCCCCCCCCCCCCCn1c2ccccc2nc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000100700867 554451664 /nfs/dbraw/zinc/45/16/64/554451664.db2.gz TXBSKHAJHWQOAB-QFMPWRQOSA-N -1 0 506.691 8.882 50 30 KKEARM CCCCCCCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100701604 554452033 /nfs/dbraw/zinc/45/20/33/554452033.db2.gz HAXLNHFDDUSKKV-QFIPXVFZSA-N -1 0 552.996 7.185 50 30 KKEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OCCC)cc3C)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1 ZINC000100736825 554461359 /nfs/dbraw/zinc/46/13/59/554461359.db2.gz MKHAWVDDJLUVMG-RUZDIDTESA-N -1 0 576.671 6.073 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000100891160 554511936 /nfs/dbraw/zinc/51/19/36/554511936.db2.gz FBANEWQEXNESHV-SSOJOUAXSA-N -1 0 526.574 5.807 50 30 KKEARM O=C([N-]Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068575240 554540278 /nfs/dbraw/zinc/54/02/78/554540278.db2.gz UDSIXJZIFWZOFY-UHFFFAOYSA-N -1 0 553.212 7.153 50 30 KKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc(I)cc(I)c4[O-])ccc3o2)cc1C ZINC000100976154 554546980 /nfs/dbraw/zinc/54/69/80/554546980.db2.gz KBUYEFIEPMRVGK-OPEKNORGSA-N -1 0 594.190 6.777 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(F)cc3s2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000101069843 554574311 /nfs/dbraw/zinc/57/43/11/554574311.db2.gz IDSJQPIFTYDBNX-NHFXJNLRSA-N -1 0 527.346 5.963 50 30 KKEARM O=C1C(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101072618 554576300 /nfs/dbraw/zinc/57/63/00/554576300.db2.gz CYDMLNFRBCLYPJ-YDJIHCHBSA-N -1 0 592.081 6.600 50 30 KKEARM Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cccc(Br)c3)nc2c(C)c1 ZINC000101100195 554586835 /nfs/dbraw/zinc/58/68/35/554586835.db2.gz BWYIXYJQEJJSKB-HFEWCJDKSA-N -1 0 553.865 6.955 50 30 KKEARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)C1=O ZINC000101129612 554648645 /nfs/dbraw/zinc/64/86/45/554648645.db2.gz ISXZVUFNYIPLHT-CQSZACIVSA-N -1 0 527.439 5.692 50 30 KKEARM C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C ZINC000101130073 554649176 /nfs/dbraw/zinc/64/91/76/554649176.db2.gz FBKCYIOAPCIHJF-XIEYBQDHSA-N -1 0 547.702 6.259 50 30 KKEARM CCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)N(c2ccc(NS(C)(=O)=O)c(O)c2)C1=O ZINC000101209929 554678494 /nfs/dbraw/zinc/67/84/94/554678494.db2.gz OONNEMVXTHLOPR-XMMPIXPASA-N -1 0 536.779 7.295 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000101277933 554704294 /nfs/dbraw/zinc/70/42/94/554704294.db2.gz LKRNPROCICLMLG-ONQGDUAMSA-N -1 0 598.652 6.447 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)c1 ZINC000101316805 554723819 /nfs/dbraw/zinc/72/38/19/554723819.db2.gz MAIZFVSGDGCONO-YREDKMEYSA-N -1 0 611.745 6.653 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000101347435 554737548 /nfs/dbraw/zinc/73/75/48/554737548.db2.gz LVLWDQYQRYTGAH-ODCWNRFASA-N -1 0 557.584 5.710 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000101353995 554739009 /nfs/dbraw/zinc/73/90/09/554739009.db2.gz OGHXRBKLOUSPDW-BZQUYTCOSA-N -1 0 557.584 5.710 50 30 KKEARM O=[N+]([O-])c1ccccc1[N-]c1nc(N=NCc2ccc(Cl)cc2Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000101398794 554759502 /nfs/dbraw/zinc/75/95/02/554759502.db2.gz LVEJNYZSNGGGJW-YLKCYHHESA-N -1 0 570.237 6.148 50 30 KKEARM O=c1c(N=Nc2ccc(Oc3ccccc3)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1nc(-c2ccccc2)cs1 ZINC000101416269 554765379 /nfs/dbraw/zinc/76/53/79/554765379.db2.gz PZZLTOWZXGNIDE-MDVFONAFSA-N -1 0 560.595 6.730 50 30 KKEARM CC1(C)Cc2nc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccccc4Cl)c3=O)sc2C(=O)C1 ZINC000101457905 554777914 /nfs/dbraw/zinc/77/79/14/554777914.db2.gz VRPRVBVATAIWAO-VFCFBJKWSA-N -1 0 522.974 5.079 50 30 KKEARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S/C2=N\c2ccccc2)cc1 ZINC000101644446 554814869 /nfs/dbraw/zinc/81/48/69/554814869.db2.gz PDRUHKDUGKYPES-MVOPBTOLSA-N -1 0 588.645 7.100 50 30 KKEARM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000102051211 554871228 /nfs/dbraw/zinc/87/12/28/554871228.db2.gz XFFURAPCAIKUNR-KPURRNSFSA-N -1 0 535.600 5.854 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000102052394 554871616 /nfs/dbraw/zinc/87/16/16/554871616.db2.gz NDHSEQCYZFUFDA-QNLPTKCRSA-N -1 0 587.701 7.478 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OCc1ccccc1 ZINC000102052766 554871932 /nfs/dbraw/zinc/87/19/32/554871932.db2.gz JXOFRPYAQSGCHU-RBBQXQBVSA-N -1 0 617.727 7.486 50 30 KKEARM COc1cc2c(c(OC)c1)[C@@H](c1ccccc1OCC(=O)[O-])C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2 ZINC000102052900 554872075 /nfs/dbraw/zinc/87/20/75/554872075.db2.gz YCQOWELUPWCKTH-YRVHBCJASA-N -1 0 545.588 5.143 50 30 KKEARM COc1ccc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000102052928 554872105 /nfs/dbraw/zinc/87/21/05/554872105.db2.gz GFMFWUBMRFOKIA-CBZJRKILSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053192 554872117 /nfs/dbraw/zinc/87/21/17/554872117.db2.gz ZUGWXNOQJHYNCI-QXNWPYRLSA-N -1 0 557.675 7.566 50 30 KKEARM COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C(=O)[O-])c3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC ZINC000102053144 554872119 /nfs/dbraw/zinc/87/21/19/554872119.db2.gz HIWWXBLNAYZBLA-CLYVBNDRSA-N -1 0 541.629 5.916 50 30 KKEARM Cc1nn(-c2ccccc2C(=O)[O-])c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000102053262 554872130 /nfs/dbraw/zinc/87/21/30/554872130.db2.gz FSQSSNCTLZBQKY-WKRVVKTRSA-N -1 0 573.674 7.691 50 30 KKEARM CC(C)CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078894 554875533 /nfs/dbraw/zinc/87/55/33/554875533.db2.gz IQDFFUDBVHJKCP-VTVSLZSGSA-N -1 0 627.788 7.205 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102078909 554875813 /nfs/dbraw/zinc/87/58/13/554875813.db2.gz UYIOENBYOWBUCM-TXTDGAROSA-N -1 0 629.760 6.653 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102482417 554937483 /nfs/dbraw/zinc/93/74/83/554937483.db2.gz GHNJWVNOUPYKCC-NHFXJNLRSA-N -1 0 526.567 5.149 50 30 KKEARM O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000102483280 554937613 /nfs/dbraw/zinc/93/76/13/554937613.db2.gz NQPQSYRUCWQEEP-YDJIHCHBSA-N -1 0 502.832 5.893 50 30 KKEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1 ZINC000102487379 554938438 /nfs/dbraw/zinc/93/84/38/554938438.db2.gz KKPWPNRCCUCTKS-NPJIAGGLSA-N -1 0 500.938 5.842 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102491246 554939439 /nfs/dbraw/zinc/93/94/39/554939439.db2.gz LZMDRPOVRVWVMT-SELCWUDQSA-N -1 0 500.935 5.047 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102492803 554939693 /nfs/dbraw/zinc/93/96/93/554939693.db2.gz BKSLHSVAYYHRQY-WOOAAIBNSA-N -1 0 511.353 5.287 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)nc1C ZINC000102493861 554940016 /nfs/dbraw/zinc/94/00/16/554940016.db2.gz IYRGMKOPHHUHKH-HOGKFDNTSA-N -1 0 530.558 5.640 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)nc1C ZINC000102504097 554943947 /nfs/dbraw/zinc/94/39/47/554943947.db2.gz HPIFJGRKZWVRHI-GROYHEBESA-N -1 0 547.814 5.280 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102506338 554944534 /nfs/dbraw/zinc/94/45/34/554944534.db2.gz QYHLOJQWZMACMS-MOBKVPTQSA-N -1 0 506.605 5.782 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102510447 554945968 /nfs/dbraw/zinc/94/59/68/554945968.db2.gz RXDZYEUNFQQHQW-AYWGPLOBSA-N -1 0 534.565 5.478 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102520396 554949336 /nfs/dbraw/zinc/94/93/36/554949336.db2.gz GRMNGARPKSKEOI-ZHHPLPSFSA-N -1 0 549.004 5.761 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102524825 554951557 /nfs/dbraw/zinc/95/15/57/554951557.db2.gz MOPRJWJMDVMZTA-ZHHPLPSFSA-N -1 0 565.445 6.092 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102524819 554951652 /nfs/dbraw/zinc/95/16/52/554951652.db2.gz MOPRJWJMDVMZTA-AYWGPLOBSA-N -1 0 565.445 6.092 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102527384 554952548 /nfs/dbraw/zinc/95/25/48/554952548.db2.gz MZPLAZHIBFBRPL-SBXHHDGASA-N -1 0 518.566 5.859 50 30 KKEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102529160 554953059 /nfs/dbraw/zinc/95/30/59/554953059.db2.gz KEKQIGSBYJVRSF-NXLSWJSLSA-N -1 0 518.591 6.012 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1 ZINC000102529150 554953137 /nfs/dbraw/zinc/95/31/37/554953137.db2.gz KEKQIGSBYJVRSF-SBXHHDGASA-N -1 0 518.591 6.012 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102533150 554954834 /nfs/dbraw/zinc/95/48/34/554954834.db2.gz NNWPCUQWMMHAPY-NXLSWJSLSA-N -1 0 581.046 6.001 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102537296 554956304 /nfs/dbraw/zinc/95/63/04/554956304.db2.gz NEZJZKSWDLJSFR-AYWGPLOBSA-N -1 0 520.994 5.983 50 30 KKEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000102545821 554959017 /nfs/dbraw/zinc/95/90/17/554959017.db2.gz XDVKSIDDZUKSEI-WNQPQFFOSA-N -1 0 620.152 6.832 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102549004 554960799 /nfs/dbraw/zinc/96/07/99/554960799.db2.gz IHLGVABHKNTKTQ-WRPQUVRJSA-N -1 0 577.634 6.058 50 30 KKEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102549586 554961050 /nfs/dbraw/zinc/96/10/50/554961050.db2.gz CCORQXNYEIIRKI-ZHHPLPSFSA-N -1 0 553.423 6.309 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102549464 554961068 /nfs/dbraw/zinc/96/10/68/554961068.db2.gz DIWBEPQVJVMZCY-IUKMQXEJSA-N -1 0 540.597 5.443 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1 ZINC000102561375 554968302 /nfs/dbraw/zinc/96/83/02/554968302.db2.gz OETAVJMTLHDUOL-ZHHPLPSFSA-N -1 0 562.987 5.134 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563400 554968733 /nfs/dbraw/zinc/96/87/33/554968733.db2.gz SWUDXHAVYUNRGR-MOBKVPTQSA-N -1 0 553.865 6.901 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000102563420 554968765 /nfs/dbraw/zinc/96/87/65/554968765.db2.gz BLYHBIIIFSMMKQ-GMBUILNLSA-N -1 0 577.456 6.017 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102563939 554969147 /nfs/dbraw/zinc/96/91/47/554969147.db2.gz RSCQKEAXOBTMHN-FECHNCLXSA-N -1 0 504.514 5.524 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5Cl)s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102575845 554971518 /nfs/dbraw/zinc/97/15/18/554971518.db2.gz RKHMZLNNNWTEFP-WRPQUVRJSA-N -1 0 594.089 6.573 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000102581509 554972531 /nfs/dbraw/zinc/97/25/31/554972531.db2.gz KZFVDRUJXYUOAJ-KYWXLPDZSA-N -1 0 531.521 5.293 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCc1ccccc1 ZINC000102586678 554973234 /nfs/dbraw/zinc/97/32/34/554973234.db2.gz ATMHPCNGIXYPLZ-UUALVTFQSA-N -1 0 585.638 5.222 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000102586929 554973496 /nfs/dbraw/zinc/97/34/96/554973496.db2.gz UWEMSYGHMCMYAO-NXLSWJSLSA-N -1 0 548.617 5.231 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C ZINC000102606116 554978820 /nfs/dbraw/zinc/97/88/20/554978820.db2.gz VQCABXWELQQNRA-LMKMVOKYSA-N -1 0 549.649 5.386 50 30 KKEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)c1 ZINC000102611954 554981760 /nfs/dbraw/zinc/98/17/60/554981760.db2.gz WZZCXJPVAZUMLG-IUKMQXEJSA-N -1 0 605.669 5.766 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000102618794 554985477 /nfs/dbraw/zinc/98/54/77/554985477.db2.gz OPFKIJOFEDPWME-MOBKVPTQSA-N -1 0 517.887 6.002 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1 ZINC000102619625 554986018 /nfs/dbraw/zinc/98/60/18/554986018.db2.gz JLVZFHXBCIKDAN-NXLSWJSLSA-N -1 0 601.662 5.015 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102619778 554986259 /nfs/dbraw/zinc/98/62/59/554986259.db2.gz PYOSDEBBSLPIEU-ONQGDUAMSA-N -1 0 615.733 6.407 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCCC)cc3C)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102622254 554987433 /nfs/dbraw/zinc/98/74/33/554987433.db2.gz LOZVACGLHSPDTE-QHCPKHFHSA-N -1 0 567.063 6.328 50 30 KKEARM N#Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(F)cc4)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000102644213 554991413 /nfs/dbraw/zinc/99/14/13/554991413.db2.gz TVLIYEYNSIXSEB-IIMAJNMQSA-N -1 0 509.537 6.112 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102652351 554996494 /nfs/dbraw/zinc/99/64/94/554996494.db2.gz IHLGVABHKNTKTQ-HALAOQOWSA-N -1 0 577.634 6.058 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102654385 554997642 /nfs/dbraw/zinc/99/76/42/554997642.db2.gz WBYWHIBBVMKTGF-NSUOQXISSA-N -1 0 571.869 7.206 50 30 KKEARM CC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102678546 555004745 /nfs/dbraw/zinc/00/47/45/555004745.db2.gz VJLBQZQUJWCPMJ-HEWWQJFPSA-N -1 0 508.983 5.257 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102698454 555012103 /nfs/dbraw/zinc/01/21/03/555012103.db2.gz OKQKFKUAPHXZFY-LFVOPCPISA-N -1 0 503.736 5.034 50 30 KKEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)[C@@H]2c2ccccc2F)s1 ZINC000102712705 555017363 /nfs/dbraw/zinc/01/73/63/555017363.db2.gz SRUOQGBCAGLKBB-NXLSWJSLSA-N -1 0 515.566 5.499 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715022 555018209 /nfs/dbraw/zinc/01/82/09/555018209.db2.gz KITBKJYAKQXECP-MOBKVPTQSA-N -1 0 519.966 6.047 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102715283 555018237 /nfs/dbraw/zinc/01/82/37/555018237.db2.gz SGTQDRHZGXPABL-SBXHHDGASA-N -1 0 500.576 5.502 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102715020 555018242 /nfs/dbraw/zinc/01/82/42/555018242.db2.gz KITBKJYAKQXECP-HOGKFDNTSA-N -1 0 519.966 6.047 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102715253 555018258 /nfs/dbraw/zinc/01/82/58/555018258.db2.gz QRKDZDIQXVURDW-SBXHHDGASA-N -1 0 528.586 5.280 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102715286 555018306 /nfs/dbraw/zinc/01/83/06/555018306.db2.gz SGTQDRHZGXPABL-NXLSWJSLSA-N -1 0 500.576 5.502 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102719871 555019947 /nfs/dbraw/zinc/01/99/47/555019947.db2.gz RXTFSBGPLYOTFJ-MOBKVPTQSA-N -1 0 503.511 5.532 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1OC ZINC000102721517 555020254 /nfs/dbraw/zinc/02/02/54/555020254.db2.gz PNJAREUPJAZCSA-NXLSWJSLSA-N -1 0 518.591 5.794 50 30 KKEARM CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102726465 555021853 /nfs/dbraw/zinc/02/18/53/555021853.db2.gz UWFSWKFZGSEZNA-HOGKFDNTSA-N -1 0 503.511 5.532 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102735611 555025812 /nfs/dbraw/zinc/02/58/12/555025812.db2.gz AQEXSDXEEVLINK-FECHNCLXSA-N -1 0 504.514 5.524 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771308 555060024 /nfs/dbraw/zinc/06/00/24/555060024.db2.gz GGOZJWHURATZQL-BBHOXHGRSA-N -1 0 610.544 7.087 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771269 555060051 /nfs/dbraw/zinc/06/00/51/555060051.db2.gz LMIYFPDDGYERDB-FECHNCLXSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102771265 555060055 /nfs/dbraw/zinc/06/00/55/555060055.db2.gz LMIYFPDDGYERDB-KYWXLPDZSA-N -1 0 537.424 6.553 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccccc5)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102771464 555060292 /nfs/dbraw/zinc/06/02/92/555060292.db2.gz OMHTWCZUVRDPNT-YMMFOPJESA-N -1 0 559.644 5.919 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3F)s2)cc1 ZINC000102771445 555060323 /nfs/dbraw/zinc/06/03/23/555060323.db2.gz NNQBECOHYBXCFG-MWCANZRFSA-N -1 0 573.671 6.228 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102771485 555060527 /nfs/dbraw/zinc/06/05/27/555060527.db2.gz CCBGHMPPSNXIIF-JDDIYYEHSA-N -1 0 503.967 5.294 50 30 KKEARM C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(Cl)cc5s4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102771483 555060699 /nfs/dbraw/zinc/06/06/99/555060699.db2.gz CCBGHMPPSNXIIF-WKHTWXOLSA-N -1 0 503.967 5.294 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102801089 555072403 /nfs/dbraw/zinc/07/24/03/555072403.db2.gz ZAXSJXAWILUMTH-AYWGPLOBSA-N -1 0 513.468 5.358 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102801091 555072448 /nfs/dbraw/zinc/07/24/48/555072448.db2.gz ZAXSJXAWILUMTH-ZHHPLPSFSA-N -1 0 513.468 5.358 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102800058 555072454 /nfs/dbraw/zinc/07/24/54/555072454.db2.gz RHBHXQJOKFJAAC-GHNGSUTGSA-N -1 0 500.935 5.047 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102858548 555089345 /nfs/dbraw/zinc/08/93/45/555089345.db2.gz NZKNQAABLQTMOG-MRJHHRETSA-N -1 0 524.570 5.182 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000102859635 555089952 /nfs/dbraw/zinc/08/99/52/555089952.db2.gz VIVBKUWHYJSYJJ-ZHHPLPSFSA-N -1 0 551.020 5.992 50 30 KKEARM COc1cc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc(OC)c1OC ZINC000102860732 555090843 /nfs/dbraw/zinc/09/08/43/555090843.db2.gz HIXFWJHGZHTPQD-HOGKFDNTSA-N -1 0 538.528 5.227 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102861546 555091471 /nfs/dbraw/zinc/09/14/71/555091471.db2.gz ILLKLCBEFJWBTQ-JBCNATCCSA-N -1 0 522.941 5.502 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102864516 555094252 /nfs/dbraw/zinc/09/42/52/555094252.db2.gz KQVDUKJYFPTZOW-MOBKVPTQSA-N -1 0 508.958 6.114 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000102864750 555094639 /nfs/dbraw/zinc/09/46/39/555094639.db2.gz UNLDCJSWLSDBCW-SBXHHDGASA-N -1 0 551.020 5.992 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102866324 555095468 /nfs/dbraw/zinc/09/54/68/555095468.db2.gz VJBHRFFRUDFFDB-HVESIFNPSA-N -1 0 503.363 5.171 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102866617 555096038 /nfs/dbraw/zinc/09/60/38/555096038.db2.gz MXNQFRHJFVTNSA-SBXHHDGASA-N -1 0 532.549 5.232 50 30 KKEARM CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000102868205 555097646 /nfs/dbraw/zinc/09/76/46/555097646.db2.gz YFIDOCGIUBQSPN-HOGKFDNTSA-N -1 0 555.052 6.005 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc(OCCC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102868457 555097912 /nfs/dbraw/zinc/09/79/12/555097912.db2.gz FGHHOLOFXRGPMS-CZNAVJSXSA-N -1 0 520.582 5.586 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)ccc1OCCC(C)C ZINC000102870100 555100145 /nfs/dbraw/zinc/10/01/45/555100145.db2.gz STOMUVWZYIMEEC-TXTDGAROSA-N -1 0 621.111 6.781 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)c1 ZINC000102870511 555100702 /nfs/dbraw/zinc/10/07/02/555100702.db2.gz UHVXCIDVHLRYIN-VTVSLZSGSA-N -1 0 627.788 7.349 50 30 KKEARM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccccc2)cc1 ZINC000102873506 555103988 /nfs/dbraw/zinc/10/39/88/555103988.db2.gz IOBKHKVNVHBHKK-JBCNATCCSA-N -1 0 506.580 5.043 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000102877045 555106643 /nfs/dbraw/zinc/10/66/43/555106643.db2.gz PAMWSYHOTYJTKP-MRJHHRETSA-N -1 0 539.407 5.985 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102877846 555107179 /nfs/dbraw/zinc/10/71/79/555107179.db2.gz TUGYUFLYUXBPDZ-MOBKVPTQSA-N -1 0 525.399 5.760 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2cc(C(C)(C)C)on2)cc1 ZINC000102877843 555107214 /nfs/dbraw/zinc/10/72/14/555107214.db2.gz TUGYUFLYUXBPDZ-HOGKFDNTSA-N -1 0 525.399 5.760 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000102878166 555107571 /nfs/dbraw/zinc/10/75/71/555107571.db2.gz KEBKWBAVNMRFPH-YDJIHCHBSA-N -1 0 525.380 5.677 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000102879533 555108796 /nfs/dbraw/zinc/10/87/96/555108796.db2.gz XDJMBOGDZDFYSN-WOOAAIBNSA-N -1 0 547.416 5.488 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102881576 555110034 /nfs/dbraw/zinc/11/00/34/555110034.db2.gz KOGSMSYPLVBQQU-NXLSWJSLSA-N -1 0 534.565 5.478 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3cc(OC)c(OC)c(OC)c3)sc2c1 ZINC000102882723 555111145 /nfs/dbraw/zinc/11/11/45/555111145.db2.gz FORCWUGRJKHRFH-ZHHPLPSFSA-N -1 0 550.589 5.249 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102882747 555111155 /nfs/dbraw/zinc/11/11/55/555111155.db2.gz WCEUNLIJGMGECK-MOBKVPTQSA-N -1 0 508.958 6.114 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102883608 555112040 /nfs/dbraw/zinc/11/20/40/555112040.db2.gz XQEZSZIYNQWNBL-MRJHHRETSA-N -1 0 529.376 6.377 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccc(Cl)c2)nc1C ZINC000102884528 555113411 /nfs/dbraw/zinc/11/34/11/555113411.db2.gz WZDSJZYFPBNZRD-HJFSGKHBSA-N -1 0 539.009 5.231 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102884591 555113740 /nfs/dbraw/zinc/11/37/40/555113740.db2.gz OTYQBVWJKGCCTI-JRPVAJNPSA-N -1 0 530.577 5.784 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1 ZINC000102885690 555115762 /nfs/dbraw/zinc/11/57/62/555115762.db2.gz BVGXZVBTJOCNIF-NXLSWJSLSA-N -1 0 578.643 5.205 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(Cl)cc3s2)cc1OC ZINC000102887572 555119595 /nfs/dbraw/zinc/11/95/95/555119595.db2.gz MZFYZOQAINNGNC-JOMJOIQHSA-N -1 0 605.112 7.087 50 30 KKEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Br)cn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102887954 555120489 /nfs/dbraw/zinc/12/04/89/555120489.db2.gz SDMGYVAKCMSBID-MRJHHRETSA-N -1 0 558.226 5.632 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCc3ccccc3)c2)nc1C ZINC000102888147 555120716 /nfs/dbraw/zinc/12/07/16/555120716.db2.gz OWWCEHCYCLULOR-CJJGVWJISA-N -1 0 598.633 5.215 50 30 KKEARM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000102888412 555121473 /nfs/dbraw/zinc/12/14/73/555121473.db2.gz XRNRSNMWIIYLNP-LHKMDIPOSA-N -1 0 621.740 6.942 50 30 KKEARM CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC ZINC000102888340 555121499 /nfs/dbraw/zinc/12/14/99/555121499.db2.gz NBSOEEJUHDOXQV-QMDVFYPZSA-N -1 0 584.694 6.742 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(OCC)c(OCC)c2)nc1C ZINC000102889562 555123708 /nfs/dbraw/zinc/12/37/08/555123708.db2.gz MOEWHYVMYSZBCK-WBMUNJTESA-N -1 0 592.670 5.375 50 30 KKEARM O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2ccccc2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000102890005 555124853 /nfs/dbraw/zinc/12/48/53/555124853.db2.gz OPNFMGPPXFAOOP-HOGKFDNTSA-N -1 0 504.951 5.347 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000102892824 555129342 /nfs/dbraw/zinc/12/93/42/555129342.db2.gz OSVYJVDUWANVJZ-HOTYXSFQSA-N -1 0 567.450 6.561 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OCC)cc3s2)cc1OC ZINC000102893411 555130730 /nfs/dbraw/zinc/13/07/30/555130730.db2.gz CZCLGMGOHAQFNX-QMMFTLRZSA-N -1 0 630.719 6.670 50 30 KKEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1OC ZINC000102894827 555133250 /nfs/dbraw/zinc/13/32/50/555133250.db2.gz RSJILABPAUJYFP-CJJGVWJISA-N -1 0 574.611 5.110 50 30 KKEARM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)OCCO4)[C@H]2c2cccc(OCCC(C)C)c2)nc1C ZINC000102897273 555137455 /nfs/dbraw/zinc/13/74/55/555137455.db2.gz JOTNUOQTBSJQTD-SBXHHDGASA-N -1 0 578.643 5.061 50 30 KKEARM COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000102910082 555142430 /nfs/dbraw/zinc/14/24/30/555142430.db2.gz CIFOATLTLCTFQL-JPFXZVHCSA-N -1 0 553.640 5.927 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000102927907 555152619 /nfs/dbraw/zinc/15/26/19/555152619.db2.gz BVNPYQFXPORLCJ-MOBKVPTQSA-N -1 0 518.547 5.009 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102928070 555153184 /nfs/dbraw/zinc/15/31/84/555153184.db2.gz RALBTBBYGJFSEQ-MRJHHRETSA-N -1 0 508.577 5.010 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102928247 555153399 /nfs/dbraw/zinc/15/33/99/555153399.db2.gz VNTQTRXAAIXOAQ-ZHHPLPSFSA-N -1 0 520.538 5.088 50 30 KKEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102931068 555158302 /nfs/dbraw/zinc/15/83/02/555158302.db2.gz HBZDRMVNWJGSGK-ZHHPLPSFSA-N -1 0 520.538 5.088 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102931694 555159255 /nfs/dbraw/zinc/15/92/55/555159255.db2.gz DHGCQJIOEGMDGS-AYWGPLOBSA-N -1 0 520.563 5.240 50 30 KKEARM CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(OC)c(OC)c3)sc2c1 ZINC000102931693 555159258 /nfs/dbraw/zinc/15/92/58/555159258.db2.gz DHGCQJIOEGMDGS-ZHHPLPSFSA-N -1 0 520.563 5.240 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2cccc(Br)c2)nc1C ZINC000102934994 555162330 /nfs/dbraw/zinc/16/23/30/555162330.db2.gz UCJDOAPWAOPEQM-YDJIHCHBSA-N -1 0 571.449 5.334 50 30 KKEARM COc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4C#N)c3)C2=O)cc1 ZINC000103439452 555419511 /nfs/dbraw/zinc/41/95/11/555419511.db2.gz MPNLVXLPJLHGLM-UHFFFAOYSA-N -1 0 610.717 5.974 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049771432 562678138 /nfs/dbraw/zinc/67/81/38/562678138.db2.gz JDXWHKNZMBXZGO-WVRTZRCQSA-N -1 0 550.784 7.979 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2cccc(Br)c2)nc1C ZINC000103929021 571370156 /nfs/dbraw/zinc/37/01/56/571370156.db2.gz GCMOQPFZYQVVGK-YDJIHCHBSA-N -1 0 571.449 5.334 50 30 KKEARM O=C(NC(Cc1ccccc1)Cc1ccccc1)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/[O-] ZINC000104168855 571375935 /nfs/dbraw/zinc/37/59/35/571375935.db2.gz NOLMQFZJDOWUDN-CCFHIKDMSA-N -1 0 567.514 5.202 50 30 KKEARM CC(C)CC(Nc1ccc(COC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000150339210 571457329 /nfs/dbraw/zinc/45/73/29/571457329.db2.gz YJZSSXBJRHSYIF-YTTGMZPUSA-N -1 0 680.798 7.172 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(I)cc4)c3=O)n2)cc1 ZINC000150341248 571458052 /nfs/dbraw/zinc/45/80/52/571458052.db2.gz MVZSSVVORODSHL-FAJYDZGRSA-N -1 0 624.420 5.551 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(Br)cc(Br)cc4Br)c3=O)n2)cc1 ZINC000150341096 571458061 /nfs/dbraw/zinc/45/80/61/571458061.db2.gz WSBPCWCMAGZWNH-KOEQRZSOSA-N -1 0 628.144 6.297 50 30 KKEARM CCN(CC)c1ccc2c(C=CC=CC=C3N(CCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4[C@]3(C)CCCC(=O)ON3C(=O)CCC3=O)cc(C(C)(C)C)[o+]c2c1 ZINC000150351541 571462231 /nfs/dbraw/zinc/46/22/31/571462231.db2.gz IVRJBOUZBBVMCD-WBCKFURZSA-O -1 0 839.022 6.710 50 30 KKEARM [O-]c1c(I)cc(I)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000150351473 571462266 /nfs/dbraw/zinc/46/22/66/571462266.db2.gz DUEOPEMBTWJRMN-YSURURNPSA-N -1 0 692.032 6.765 50 30 KKEARM COc1ccc(/C=N/n2c(/N=C/c3cc(Br)cc(Br)c3[O-])nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000150387398 571470025 /nfs/dbraw/zinc/47/00/25/571470025.db2.gz NHZLFLGIPSQYLK-GSZRYCNHSA-N -1 0 630.340 8.089 50 30 KKEARM CCCCCCCCCCCCNC(=O)c1cc(Sc2nnc(CCCCCCCCC)n2-c2ccccc2)c2ccccc2c1[O-] ZINC000150390470 571472881 /nfs/dbraw/zinc/47/28/81/571472881.db2.gz OTVFKFRGHVZGSY-UHFFFAOYSA-N -1 0 656.981 11.221 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@H]2c2ccc(O)c(OCC)c2)nc1C ZINC000150391811 571474067 /nfs/dbraw/zinc/47/40/67/571474067.db2.gz JSTOTQSGCXBOQK-WGGXKBPPSA-N -1 0 640.714 6.412 50 30 KKEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1OCC ZINC000150418228 571486484 /nfs/dbraw/zinc/48/64/84/571486484.db2.gz OLFGLYICHWZGNE-ONQGDUAMSA-N -1 0 666.177 6.679 50 30 KKEARM CCCCCCCCCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCCCCCCCCCC)cc1[N+](=O)[O-])C2=N[O-] ZINC000150419744 571487215 /nfs/dbraw/zinc/48/72/15/571487215.db2.gz MDPVCWFODXKZHN-UHFFFAOYSA-N -1 0 723.915 7.548 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)ccc1OCCC(C)C ZINC000150422200 571488128 /nfs/dbraw/zinc/48/81/28/571488128.db2.gz VESWORFXTAHDFI-RIEKNRFYSA-N -1 0 706.286 8.257 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)ccc1OCCC(C)C ZINC000150424239 571488981 /nfs/dbraw/zinc/48/89/81/571488981.db2.gz UINYYWOMOFCRBU-ZAOVDLIJSA-N -1 0 685.868 7.912 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000150426565 571490887 /nfs/dbraw/zinc/49/08/87/571490887.db2.gz FACPDLLUUXPGRE-NXLSWJSLSA-N -1 0 670.552 6.321 50 30 KKEARM COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1 ZINC000150426637 571490943 /nfs/dbraw/zinc/49/09/43/571490943.db2.gz MWQIIKDOJYSFOA-HYVCFMKYSA-N -1 0 649.750 6.720 50 30 KKEARM COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)cc1 ZINC000150426799 571491209 /nfs/dbraw/zinc/49/12/09/571491209.db2.gz GOCQOEBYHGTZJY-WBMUNJTESA-N -1 0 634.135 6.220 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000150432499 571494170 /nfs/dbraw/zinc/49/41/70/571494170.db2.gz ZTZSSSUTXDYSIY-DEOSSOPVSA-N -1 0 642.067 5.425 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccc(Cl)cc1 ZINC000150432944 571494228 /nfs/dbraw/zinc/49/42/28/571494228.db2.gz QOFHDDDIGAFIMP-QFIPXVFZSA-N -1 0 616.460 5.974 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccco1 ZINC000150432985 571494569 /nfs/dbraw/zinc/49/45/69/571494569.db2.gz IAJQWDXUZBIWKP-FQEVSTJZSA-N -1 0 616.427 5.023 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1OCc1ccccc1 ZINC000150435503 571495415 /nfs/dbraw/zinc/49/54/15/571495415.db2.gz DAGLJGLTWUUADW-DNPZSINUSA-N -1 0 726.276 8.411 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)ccc1OCc1ccccc1 ZINC000150435589 571495437 /nfs/dbraw/zinc/49/54/37/571495437.db2.gz PMSLSEYZZZLOFU-CCZMWYOPSA-N -1 0 741.891 8.911 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)ccc1OCc1ccccc1 ZINC000150435790 571495734 /nfs/dbraw/zinc/49/57/34/571495734.db2.gz ZSBDCRHJZKDDML-SZYGQJGOSA-N -1 0 711.793 7.345 50 30 KKEARM CCOc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)ccc1OCc1ccccc1 ZINC000150435794 571495767 /nfs/dbraw/zinc/49/57/67/571495767.db2.gz APLJYLUXTBNVOF-SZYGQJGOSA-N -1 0 762.693 8.512 50 30 KKEARM COc1ccc([C@H]2C(=C([O-])c3sc(-c4ccccc4)nc3C)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OC ZINC000150438535 571497025 /nfs/dbraw/zinc/49/70/25/571497025.db2.gz JMDYYXMNXJJJTR-LJAQVGFWSA-N -1 0 692.844 8.216 50 30 KKEARM CCOc1cc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)ccc1OCc1ccccc1 ZINC000150440064 571497846 /nfs/dbraw/zinc/49/78/46/571497846.db2.gz IXWKXDUJSMOLAL-HTDBSKDNSA-N -1 0 709.821 7.897 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150442529 571498986 /nfs/dbraw/zinc/49/89/86/571498986.db2.gz MNQKQHMEYBXAKP-MOBKVPTQSA-N -1 0 616.460 5.817 50 30 KKEARM CCCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150445562 571500672 /nfs/dbraw/zinc/50/06/72/571500672.db2.gz LAAMMYNYDCEMFW-QBCYBHDASA-N -1 0 662.233 8.003 50 30 KKEARM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)cc3C)[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C ZINC000150445924 571500965 /nfs/dbraw/zinc/50/09/65/571500965.db2.gz OPUWBSBBCHVGPY-CZNAVJSXSA-N -1 0 637.541 7.449 50 30 KKEARM O=C1C(=O)N(c2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H](c2cccc(Br)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000150447155 571501127 /nfs/dbraw/zinc/50/11/27/571501127.db2.gz DXCCCYBYGDXQKC-QFIPXVFZSA-N -1 0 660.911 6.083 50 30 KKEARM COc1cc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc(Br)c1O ZINC000150456103 571504553 /nfs/dbraw/zinc/50/45/53/571504553.db2.gz QPSUHMLPVOAMRW-UVDRRRQGSA-N -1 0 623.481 5.787 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(F)cc5)s4)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000150457922 571505181 /nfs/dbraw/zinc/50/51/81/571505181.db2.gz OYVLFCJSEYMCOG-RIEKNRFYSA-N -1 0 665.768 7.498 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OCc4ccccc4)c(C)c3)[C@@H]2c2ccc(OCC)c(OC)c2)nc1C ZINC000150458634 571505402 /nfs/dbraw/zinc/50/54/02/571505402.db2.gz TVJYVSLHHKCCKS-QMMFTLRZSA-N -1 0 654.741 6.715 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458127 571505545 /nfs/dbraw/zinc/50/55/45/571505545.db2.gz HXNLTSRGMGIPIT-VIDUVWHZSA-N -1 0 661.805 7.668 50 30 KKEARM Cc1ccc(CSc2nnc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccc(OCc4ccccc4)c3)s2)cc1 ZINC000150458116 571505549 /nfs/dbraw/zinc/50/55/49/571505549.db2.gz HXNLTSRGMGIPIT-ZAOVDLIJSA-N -1 0 661.805 7.668 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC ZINC000150460306 571505904 /nfs/dbraw/zinc/50/59/04/571505904.db2.gz PSQUSMYICFTOTI-VGZNNGDKSA-N -1 0 692.259 8.011 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150460458 571506056 /nfs/dbraw/zinc/50/60/56/571506056.db2.gz ALQKXVGNBJDBLA-HWTUVFLMSA-N -1 0 661.777 7.107 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)cc1OCC ZINC000150460641 571506136 /nfs/dbraw/zinc/50/61/36/571506136.db2.gz LXHVFFQYHQIHKY-IBGUXELQSA-N -1 0 707.874 8.511 50 30 KKEARM CCCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 ZINC000150461178 571506400 /nfs/dbraw/zinc/50/64/00/571506400.db2.gz MCJRIDKPEDKFFD-QMDVFYPZSA-N -1 0 696.678 8.656 50 30 KKEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(F)cc3)s2)cc1OCC ZINC000150462868 571506750 /nfs/dbraw/zinc/50/67/50/571506750.db2.gz ZVYZBUBZZSZXNM-VGZNNGDKSA-N -1 0 675.804 7.497 50 30 KKEARM C=CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cc(Br)c(O)c(OC)c2)nc1C ZINC000150463327 571506938 /nfs/dbraw/zinc/50/69/38/571506938.db2.gz JRXFWVPVMBRSDX-JDDIYYEHSA-N -1 0 641.496 5.221 50 30 KKEARM CC(C)CCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463164 571506963 /nfs/dbraw/zinc/50/69/63/571506963.db2.gz IDKBOMZMDYJKGY-DNNDWWBDSA-N -1 0 662.233 7.858 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150462984 571507062 /nfs/dbraw/zinc/50/70/62/571507062.db2.gz PYLDXMLOKZKIHF-ZHHPLPSFSA-N -1 0 646.961 7.188 50 30 KKEARM O=C1C(=O)N(c2nnc(SCc3ccc(Cl)cc3Cl)s2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc2c(c1)OCCO2 ZINC000150462986 571507065 /nfs/dbraw/zinc/50/70/65/571507065.db2.gz PYLDXMLOKZKIHF-AYWGPLOBSA-N -1 0 646.961 7.188 50 30 KKEARM CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150463398 571507316 /nfs/dbraw/zinc/50/73/16/571507316.db2.gz NAZIKHTWASDAMV-ZAOVDLIJSA-N -1 0 685.868 8.056 50 30 KKEARM CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463696 571507336 /nfs/dbraw/zinc/50/73/36/571507336.db2.gz HZMUETVAUGBJME-WYNCGZBVSA-N -1 0 648.206 7.612 50 30 KKEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cc(Br)c(O)c(OC)c3)sc2c1 ZINC000150464007 571507512 /nfs/dbraw/zinc/50/75/12/571507512.db2.gz DXVHJJDRGKOWGR-KGDZIIOTSA-N -1 0 623.481 5.731 50 30 KKEARM CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nnc(SCc3ccccc3Cl)s2)c1 ZINC000150463698 571507541 /nfs/dbraw/zinc/50/75/41/571507541.db2.gz HZMUETVAUGBJME-DZTJFIFISA-N -1 0 648.206 7.612 50 30 KKEARM C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5Cl)s4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000150472716 571510217 /nfs/dbraw/zinc/51/02/17/571510217.db2.gz JVGWSARPEKHLOS-KNZGKXHUSA-N -1 0 628.534 7.226 50 30 KKEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc43)s2)c1 ZINC000150480419 571511978 /nfs/dbraw/zinc/51/19/78/571511978.db2.gz RMHLKELEGUMZCP-VEZPTTSMSA-N -1 0 649.750 6.946 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1OCC ZINC000150480962 571512262 /nfs/dbraw/zinc/51/22/62/571512262.db2.gz DEPFJGMSBRVXGD-WGGXKBPPSA-N -1 0 659.786 6.806 50 30 KKEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC ZINC000150481977 571512931 /nfs/dbraw/zinc/51/29/31/571512931.db2.gz ILPNVUKTFGLKBO-WGGXKBPPSA-N -1 0 677.776 6.945 50 30 KKEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(SCc4cccc5ccccc54)s3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000150483261 571514037 /nfs/dbraw/zinc/51/40/37/571514037.db2.gz ZJOPOESRAQECML-AREMUKBSSA-N -1 0 646.563 7.977 50 30 KKEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nnc(SCc3ccc(C)cc3)s2)cc1OCC ZINC000150484755 571515260 /nfs/dbraw/zinc/51/52/60/571515260.db2.gz PDEIGHZULVIIMG-WGGXKBPPSA-N -1 0 659.786 6.724 50 30 KKEARM CCCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1S(=O)(=O)[O-] ZINC000150546552 571520783 /nfs/dbraw/zinc/52/07/83/571520783.db2.gz UEQBBRDAXXHZEH-UHFFFAOYSA-N -1 0 722.970 10.000 50 30 KKEARM O=C([O-])[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000164720251 571550961 /nfs/dbraw/zinc/55/09/61/571550961.db2.gz HPNULWLLEOKCID-RMXLIXJLSA-N -1 0 662.089 6.781 50 30 KKEARM Cc1c2c(c(C)c(C)c1S(=O)(=O)N=C(NCC[C@@H](CC(=O)[O-])NC(=O)OCC1c3ccccc3-c3ccccc31)N1CCCC1)OC(C)(C)C2 ZINC000169725170 571559705 /nfs/dbraw/zinc/55/97/05/571559705.db2.gz IFTXXKQDJOBYSD-SANMLTNESA-N -1 0 702.874 5.828 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)cc1 ZINC000217763554 571602473 /nfs/dbraw/zinc/60/24/73/571602473.db2.gz GZWAUUISOQIERK-LPGPRXSPSA-N -1 0 508.482 5.711 50 30 biogenic KKEARM CCCCCCCCOC(=O)/C=C/c1c(C)nc([O-])n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c1=O ZINC000227136527 572150400 /nfs/dbraw/zinc/15/04/00/572150400.db2.gz GPSDMFFPRIIGBF-FZLXKMEWSA-N -1 0 752.817 6.380 50 30 KKEARM CCCCCCCCOC(=O)/C=C/c1c(C)nc([O-])n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O ZINC000245255263 572222105 /nfs/dbraw/zinc/22/21/05/572222105.db2.gz GPSDMFFPRIIGBF-KVWZJWLBSA-N -1 0 752.817 6.380 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000252441255 572260915 /nfs/dbraw/zinc/26/09/15/572260915.db2.gz MISRCEKKHJVMIX-BDGXUSMVSA-N -1 0 574.718 5.504 50 30 KKEARM COc1ccc(-c2csc(-n3[n-]c(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1 ZINC000252459965 572261232 /nfs/dbraw/zinc/26/12/32/572261232.db2.gz ALVQXIDGWIDTDJ-UHFFFAOYSA-N -1 0 532.969 5.599 50 30 KKEARM COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=Nc2ccccc2)cc1 ZINC000252589350 572266502 /nfs/dbraw/zinc/26/65/02/572266502.db2.gz AJHQVFISCRIBFO-FDHMRPASSA-N -1 0 545.016 7.111 50 30 KKEARM [O-]c1c(I)cc(I)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000252592726 572266795 /nfs/dbraw/zinc/26/67/95/572266795.db2.gz BFURCHACHZIBGR-UHFFFAOYSA-N -1 0 565.152 5.895 50 30 KKEARM O=[N+]([O-])c1ccc(Nc2ccc(N=Cc3cc(Br)cc(Br)c3[O-])cc2)c([N+](=O)[O-])c1 ZINC000252597966 572267182 /nfs/dbraw/zinc/26/71/82/572267182.db2.gz CWRUGDIMVPQWCN-UHFFFAOYSA-N -1 0 536.136 6.228 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccccc1C#N ZINC000252604854 572267772 /nfs/dbraw/zinc/26/77/72/572267772.db2.gz GEMDCZZJCLDKEH-JKVXHRLHSA-N -1 0 589.673 7.038 50 30 KKEARM CCOC(=O)c1ccc(N=Nc2c(=O)n(-c3nc(-c4ccc(OC)cc4)cs3)[n-]c2-c2ccccc2)cc1 ZINC000252605163 572267859 /nfs/dbraw/zinc/26/78/59/572267859.db2.gz GGUAPNQVDXQDES-UHFFFAOYSA-N -1 0 525.590 5.214 50 30 KKEARM CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2C#N)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252607136 572267867 /nfs/dbraw/zinc/26/78/67/572267867.db2.gz GYKIOAVEGDOGIJ-VUFQEXHPSA-N -1 0 548.418 5.832 50 30 KKEARM CCOc1cc(Br)c(Br)c(C=Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000252607325 572267878 /nfs/dbraw/zinc/26/78/78/572267878.db2.gz HAMKLIAFCVSLQN-UHFFFAOYSA-N -1 0 546.215 6.889 50 30 KKEARM COc1ccc(N=C2S/C(=C\c3cc(Br)c([O-])c(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000252608330 572268060 /nfs/dbraw/zinc/26/80/60/572268060.db2.gz HJHFTBKAIXUWKR-BQJAUFPSSA-N -1 0 540.277 6.186 50 30 KKEARM CN(C)c1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000252611557 572268294 /nfs/dbraw/zinc/26/82/94/572268294.db2.gz IKXFYHFSGBCBOC-KAJIUBQISA-N -1 0 536.451 6.018 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OCC(=O)[O-] ZINC000252616125 572268715 /nfs/dbraw/zinc/26/87/15/572268715.db2.gz JXICLLZRGVIRCQ-DZDDOPQDSA-N -1 0 571.655 5.885 50 30 KKEARM CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N2C)cc1 ZINC000252620488 572269405 /nfs/dbraw/zinc/26/94/05/572269405.db2.gz MEYCXOYFLJPZOT-PHTINXOHSA-N -1 0 546.601 5.383 50 30 KKEARM COc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3o2)cc1Br ZINC000252621204 572269498 /nfs/dbraw/zinc/26/94/98/572269498.db2.gz MVESQLKMDCPAII-UHFFFAOYSA-N -1 0 547.159 6.393 50 30 KKEARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4)N(c4ccccc4)C3=O)o2)ccc1Cl ZINC000252627734 572270775 /nfs/dbraw/zinc/27/07/75/572270775.db2.gz SAQZAOYTOOZPKF-NWEZUEQQSA-N -1 0 500.963 7.107 50 30 KKEARM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1 ZINC000252631855 572271382 /nfs/dbraw/zinc/27/13/82/572271382.db2.gz VNIARWQECZNNRQ-JWJSUCBNSA-N -1 0 589.467 7.124 50 30 KKEARM O=[N+]([O-])c1ccc(C=Nc2ccc(-c3ccc(Nc4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2)c([O-])c1 ZINC000252635227 572271713 /nfs/dbraw/zinc/27/17/13/572271713.db2.gz WVRUEYVUZBNLHI-UHFFFAOYSA-N -1 0 544.436 6.186 50 30 KKEARM O=C(c1ccccc1)c1cc(Cl)ccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000252633659 572271727 /nfs/dbraw/zinc/27/17/27/572271727.db2.gz WFGKFMDJJRKHSE-UHFFFAOYSA-N -1 0 523.936 5.698 50 30 KKEARM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C=Nc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000252634465 572271741 /nfs/dbraw/zinc/27/17/41/572271741.db2.gz WOCMZYJDIZHCEO-UHFFFAOYSA-N -1 0 525.590 5.853 50 30 KKEARM Cc1ccc(N=C2S/C(=C\c3cc(Br)ccc3OCC(=O)[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252636366 572271884 /nfs/dbraw/zinc/27/18/84/572271884.db2.gz XIHFAPMKZMOLPG-QQLYOTPLSA-N -1 0 565.489 6.955 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000252637117 572271999 /nfs/dbraw/zinc/27/19/99/572271999.db2.gz XPBLLSRXVRWBNT-XVSUHLIISA-N -1 0 683.351 7.508 50 30 KKEARM CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000252637320 572272010 /nfs/dbraw/zinc/27/20/10/572272010.db2.gz XRVGTTMSNHIHKR-ZHXICNOMSA-N -1 0 510.518 5.636 50 30 KKEARM COc1ccc(N=C2S/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C(=O)N2CC(C)C)cc1 ZINC000252640011 572272240 /nfs/dbraw/zinc/27/22/40/572272240.db2.gz YPKXLXGRHQQBIJ-YVTVWKSTSA-N -1 0 504.992 5.081 50 30 KKEARM CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000252677899 572281303 /nfs/dbraw/zinc/28/13/03/572281303.db2.gz ASDBHPOHBLHBDB-PBLKLOATSA-N -1 0 520.670 5.469 50 30 KKEARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000252680030 572281451 /nfs/dbraw/zinc/28/14/51/572281451.db2.gz UUSRSOMFQHDJAD-FVVMMOAHSA-N -1 0 535.681 5.022 50 30 KKEARM C[C@H]1C[C@@]2(C)CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])C[C@@]2(C)C2=CC(=O)[C@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@H]21 ZINC000253387668 572282654 /nfs/dbraw/zinc/28/26/54/572282654.db2.gz SEOJRLKLAQEBSW-ILZBJCSVSA-N -1 0 631.898 7.386 50 30 KKEARM Cn1cc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c2ccccc21 ZINC000253412111 572287844 /nfs/dbraw/zinc/28/78/44/572287844.db2.gz PXIQSTQKIQUNML-IPYFEQEDSA-N -1 0 531.520 6.194 50 30 KKEARM COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(-c5ccc(C(=O)[O-])cc5)o3)CC(=O)O4)C2=O)c(OC)c1OC ZINC000253413021 572288406 /nfs/dbraw/zinc/28/84/06/572288406.db2.gz SUCAGSWQICSZQC-FQOPDIHJSA-N -1 0 568.534 5.728 50 30 KKEARM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3cccc(Oc4ccccc4)c3)C1=O)O2 ZINC000253414519 572288799 /nfs/dbraw/zinc/28/87/99/572288799.db2.gz XSBLXRIBHINXBO-RZMWZYTASA-N -1 0 525.557 5.151 50 30 KKEARM C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H]4C(=O)C=C5[C@@H]6C[C@@](C)(C(=O)[O-])CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)C[C@@H](O)[C@H]1O ZINC000253487127 572290269 /nfs/dbraw/zinc/29/02/69/572290269.db2.gz FMRFCBBDHDGKKZ-MXWZBDARSA-N -1 0 600.837 6.294 50 30 KKEARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253502319 572295418 /nfs/dbraw/zinc/29/54/18/572295418.db2.gz BVRXYKXINDXTNL-UCTDMVKESA-N -1 0 564.723 5.017 50 30 KKEARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253503185 572295834 /nfs/dbraw/zinc/29/58/34/572295834.db2.gz JFBCPEYXJIIHIY-DLLCAVCZSA-N -1 0 558.760 5.238 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253503515 572295994 /nfs/dbraw/zinc/29/59/94/572295994.db2.gz QLSKKZPCPDCUDT-NYBVYCPISA-N -1 0 573.734 5.820 50 30 KKEARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CCC(=O)O[C@@H]3CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)c2c1 ZINC000253504812 572296749 /nfs/dbraw/zinc/29/67/49/572296749.db2.gz DWMYNKHBZJVIJZ-ZRCSDFDYSA-N -1 0 604.744 5.757 50 30 KKEARM C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253522772 572297827 /nfs/dbraw/zinc/29/78/27/572297827.db2.gz QUVDNQFOKKUKAA-SCWDCIOVSA-N -1 0 584.838 7.984 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5c[nH]c6ccccc56)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253533360 572299297 /nfs/dbraw/zinc/29/92/97/572299297.db2.gz IOHDWTBLCTZIIO-OPBZTOAKSA-N -1 0 561.723 5.366 50 30 KKEARM CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@H](Cc5ccccc5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253533212 572299304 /nfs/dbraw/zinc/29/93/04/572299304.db2.gz CYWWELYHCZFKIG-TZSKHRRKSA-N -1 0 534.697 5.339 50 30 KKEARM CC[C@H](C)[C@H](NC(=O)CON=C1C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000253533684 572299498 /nfs/dbraw/zinc/29/94/98/572299498.db2.gz PLKXUFTWZZOUBY-XOSTVPOCSA-N -1 0 500.680 5.143 50 30 KKEARM CC[C@H](C)[C@@H](NC(=O)CON=C1C=C2CC[C@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1)C(=O)[O-] ZINC000253533682 572299556 /nfs/dbraw/zinc/29/95/56/572299556.db2.gz PLKXUFTWZZOUBY-WGKBCOCRSA-N -1 0 500.680 5.143 50 30 KKEARM C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NOCC(=O)N[C@@H](Cc5c[nH]c6ccc(O)cc56)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253533910 572299714 /nfs/dbraw/zinc/29/97/14/572299714.db2.gz UOROQCUKQLETSA-NIQYCJQGSA-N -1 0 577.722 5.072 50 30 KKEARM