smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC2=C(CC(=O)[O-])[C@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000842079 568620277 /nfs/dbraw/zinc/62/02/77/568620277.db2.gz VCMHRZWYIXKDQZ-VWLOTQADSA-N -1 0 412.489 5.232 40 0 HKABRM COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)[O-])cc1OC ZINC000000979537 560726698 /nfs/dbraw/zinc/72/66/98/560726698.db2.gz JKBFLNNLGLGABF-UHFFFAOYSA-N -1 0 418.902 5.160 40 0 HKABRM CC(=O)c1ccc([N-]C(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 ZINC000001435563 557262924 /nfs/dbraw/zinc/26/29/24/557262924.db2.gz LFYCSVYBOFVNKN-UHFFFAOYSA-N -1 0 424.909 5.571 40 0 HKABRM Cc1ccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)cc1Br ZINC000001565569 557272622 /nfs/dbraw/zinc/27/26/22/557272622.db2.gz GFYYFTNQCZDNLC-UHFFFAOYSA-N -1 0 421.212 6.695 40 0 HKABRM S=C([N-]c1ccc(Br)c(Cl)c1)SCc1ccc2c(c1)OCO2 ZINC000001565575 557272522 /nfs/dbraw/zinc/27/25/22/557272522.db2.gz 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CC(=O)N1c2ccccc2Sc2cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc21 ZINC000001614916 132247143 /nfs/dbraw/zinc/24/71/43/132247143.db2.gz ZAYHTINHCHFWIJ-UHFFFAOYSA-N -1 0 407.335 5.148 40 0 HKABRM [O-]c1c(Br)cc(-c2ccc(Br)cc2)cc1Br ZINC000001621370 557276572 /nfs/dbraw/zinc/27/65/72/557276572.db2.gz CHRLNCWLRQNNGV-UHFFFAOYSA-N -1 0 406.899 5.347 40 0 HKABRM O=C([O-])c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1 ZINC000001651375 557278867 /nfs/dbraw/zinc/27/88/67/557278867.db2.gz LMUHFEAYMZYYDR-UHFFFAOYSA-N -1 0 416.186 5.266 40 0 HKABRM CC(=O)c1cc(Cc2cc(C)cc(C)c2O)c([O-])c(Cc2cc(C)cc(C)c2O)c1 ZINC000001680973 569143953 /nfs/dbraw/zinc/14/39/53/569143953.db2.gz ZFZNNDXKRWRNNY-UHFFFAOYSA-N -1 0 404.506 5.421 40 0 HKABRM COc1c(Cl)cc(Cl)c(Cl)c1Cc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000001687352 557280820 /nfs/dbraw/zinc/28/08/20/557280820.db2.gz LXTWGNTXYNZDNB-UHFFFAOYSA-N -1 0 420.934 6.912 40 0 HKABRM CC(C)(c1[nH]c2ccc(C(C)(C)c3ccccc3)cc2c1CC(=O)[O-])c1ccccc1 ZINC000001691936 557281130 /nfs/dbraw/zinc/28/11/30/557281130.db2.gz KGZVMMHUJSTEOU-UHFFFAOYSA-N -1 0 411.545 6.447 40 0 HKABRM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000001694590 560183956 /nfs/dbraw/zinc/18/39/56/560183956.db2.gz QHFDSZUYDHUQHL-UHFFFAOYSA-N -1 0 405.453 5.875 40 0 in-vitro HKABRM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000001694592 557281101 /nfs/dbraw/zinc/28/11/01/557281101.db2.gz JCZACUNINNBCHW-UHFFFAOYSA-N -1 0 419.436 5.516 40 0 HKABRM CC[C@H](C)CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000001703925 557281908 /nfs/dbraw/zinc/28/19/08/557281908.db2.gz CFMPKQVSCLXKNN-ZETCQYMHSA-N -1 0 402.101 5.982 40 0 HKABRM CC(C)C[C@H](C)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000001703933 557281947 /nfs/dbraw/zinc/28/19/47/557281947.db2.gz MDFAQXJJJLKKAC-ZETCQYMHSA-N -1 0 402.101 5.837 40 0 HKABRM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[C@H](O)c1ccccc1-2 ZINC000001715674 557282453 /nfs/dbraw/zinc/28/24/53/557282453.db2.gz 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CC(=O)c1c2c(cc3c1CCCC3)C[C@@]1(Cc3cc4c(c(C(=O)[O-])c3C1)CCCC4)C2 ZINC000001855345 557292406 /nfs/dbraw/zinc/29/24/06/557292406.db2.gz BHRSSBHSPBPIBW-MUUNZHRXSA-N -1 0 414.545 5.229 40 0 HKABRM CC(=O)c1c2c(cc3c1CCCC3)C[C@]1(Cc3cc4c(c(C(=O)[O-])c3C1)CCCC4)C2 ZINC000001855346 557292337 /nfs/dbraw/zinc/29/23/37/557292337.db2.gz BHRSSBHSPBPIBW-NDEPHWFRSA-N -1 0 414.545 5.229 40 0 HKABRM CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)[O-])C[C@@H]21 ZINC000001905712 1148349268 /nfs/dbraw/zinc/34/92/68/1148349268.db2.gz YCHYFHOSGQABSW-RTBURBONSA-N -1 0 400.559 6.316 40 0 investigational HKABRM Cc1c(C(=O)[O-])cc(-c2ccccc2)n1CCSCc1c(Cl)cccc1Cl ZINC000002380630 569390746 /nfs/dbraw/zinc/39/07/46/569390746.db2.gz XSUIIOWGOVWMOB-UHFFFAOYSA-N -1 0 420.361 6.402 40 0 HKABRM [O-]c1c(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1Cl ZINC000002384303 557342589 /nfs/dbraw/zinc/34/25/89/557342589.db2.gz RPXRFGDJHIVRSM-UHFFFAOYSA-N -1 0 411.326 7.633 40 0 in-vitro HKABRM Cc1nc([N-]c2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)nc2ccccc12 ZINC000002436020 557347291 /nfs/dbraw/zinc/34/72/91/557347291.db2.gz UZFUHRPOPIUGMM-OAHLLOKOSA-N -1 0 415.884 5.038 40 0 HKABRM Cc1nc([N-]c2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)nc2ccccc12 ZINC000002436021 557347357 /nfs/dbraw/zinc/34/73/57/557347357.db2.gz UZFUHRPOPIUGMM-HNNXBMFYSA-N -1 0 415.884 5.038 40 0 HKABRM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002509836 571315678 /nfs/dbraw/zinc/31/56/78/571315678.db2.gz QHPCQNPEZKEZGX-NRFANRHFSA-N -1 0 407.853 5.004 40 0 HKABRM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1 ZINC000002509854 571315666 /nfs/dbraw/zinc/31/56/66/571315666.db2.gz QHPCQNPEZKEZGX-OAQYLSRUSA-N -1 0 407.853 5.004 40 0 HKABRM O=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12 ZINC000002599615 557359551 /nfs/dbraw/zinc/35/95/51/557359551.db2.gz KPZOSRNRELRVLJ-ACCUITESSA-N -1 0 419.278 5.529 40 0 HKABRM CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000002944512 569322466 /nfs/dbraw/zinc/32/24/66/569322466.db2.gz JPGGQHZUOUAFHK-DEGHYFJTSA-N -1 0 412.570 5.060 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc3ccccc32)cc1 ZINC000003065911 569024495 /nfs/dbraw/zinc/02/44/95/569024495.db2.gz IEKIANFGONFHCF-UHFFFAOYSA-N -1 0 416.502 5.201 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc3nc(-c4ccc(Cl)cc4)sc3c2)cc1 ZINC000003066784 568853414 /nfs/dbraw/zinc/85/34/14/568853414.db2.gz IMXAUMOEYADIJG-UHFFFAOYSA-N -1 0 408.866 5.567 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cc(C)ccc2C)cc1 ZINC000003075038 568853903 /nfs/dbraw/zinc/85/39/03/568853903.db2.gz HSYRXHVKROILHZ-UHFFFAOYSA-N -1 0 418.522 5.099 40 0 HKABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc2ccccc2c1 ZINC000003077351 557445052 /nfs/dbraw/zinc/44/50/52/557445052.db2.gz NDGPADKYMPMGSX-UHFFFAOYSA-N -1 0 421.088 5.323 40 0 HKABRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000003846294 557500385 /nfs/dbraw/zinc/50/03/85/557500385.db2.gz MEJYXHVXOXPRNY-STZQEDGTSA-N -1 0 406.522 5.372 40 0 HKABRM CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000003846295 557500395 /nfs/dbraw/zinc/50/03/95/557500395.db2.gz MEJYXHVXOXPRNY-VLCRHTCISA-N -1 0 406.522 5.372 40 0 HKABRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000003846296 557500313 /nfs/dbraw/zinc/50/03/13/557500313.db2.gz MEJYXHVXOXPRNY-BVYCBKJFSA-N -1 0 406.522 5.372 40 0 HKABRM CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000003846297 557500348 /nfs/dbraw/zinc/50/03/48/557500348.db2.gz MEJYXHVXOXPRNY-YUXAGFNASA-N -1 0 406.522 5.372 40 0 HKABRM O=S(=O)([O-])c1cccc2c(Nc3cccc(O)c3)ccc(Nc3ccccc3)c21 ZINC000003848523 557500487 /nfs/dbraw/zinc/50/04/87/557500487.db2.gz UCPCDCVHTBYJRK-UHFFFAOYSA-N -1 0 406.463 5.279 40 0 HKABRM CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000004029042 569321408 /nfs/dbraw/zinc/32/14/08/569321408.db2.gz JPGGQHZUOUAFHK-RQGAOHTJSA-N -1 0 412.570 5.060 40 0 HKABRM CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000004029043 569321405 /nfs/dbraw/zinc/32/14/05/569321405.db2.gz JPGGQHZUOUAFHK-IXUWWIPVSA-N -1 0 412.570 5.060 40 0 HKABRM CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 ZINC000004029044 560597446 /nfs/dbraw/zinc/59/74/46/560597446.db2.gz JPGGQHZUOUAFHK-RBCACBJKSA-N -1 0 412.570 5.060 40 0 HKABRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004040364 560598088 /nfs/dbraw/zinc/59/80/88/560598088.db2.gz YSWDCQJTPYALJE-XPQNQJERSA-N -1 0 404.635 6.742 40 0 HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004040367 560598079 /nfs/dbraw/zinc/59/80/79/560598079.db2.gz YSWDCQJTPYALJE-LRDUIPOJSA-N -1 0 404.635 6.742 40 0 HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004040371 560598080 /nfs/dbraw/zinc/59/80/80/560598080.db2.gz YSWDCQJTPYALJE-OSEDYFQNSA-N -1 0 404.635 6.742 40 0 HKABRM COc1cc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004111163 560892871 /nfs/dbraw/zinc/89/28/71/560892871.db2.gz MWCFKMDOPSZIPZ-OQOVHOIHSA-N -1 0 422.521 5.508 40 0 HKABRM COc1cc([C@H]2OC[C@H]3[C@@H](C)[C@@H]2C(C)=C[C@@H]3C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004111165 560892869 /nfs/dbraw/zinc/89/28/69/560892869.db2.gz MWCFKMDOPSZIPZ-WVBBTRLJSA-N -1 0 422.521 5.508 40 0 HKABRM CC(C)c1ccc2nc(Nc3ccc(-c4ccc(C(=O)[O-])cc4)cc3F)sc2c1 ZINC000004243169 569071067 /nfs/dbraw/zinc/07/10/67/569071067.db2.gz AVEBRWJRNXUVMM-UHFFFAOYSA-N -1 0 406.482 6.668 40 0 HKABRM CCCCCCOP(=O)([N-]S(=O)(=O)c1ccc(C)cc1)OCCCCCC ZINC000004530650 560608366 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CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004831129 557603894 /nfs/dbraw/zinc/60/38/94/557603894.db2.gz YSWDCQJTPYALJE-VHFJJKATSA-N -1 0 404.635 6.742 40 0 HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004831130 557603874 /nfs/dbraw/zinc/60/38/74/557603874.db2.gz YSWDCQJTPYALJE-MGJGYUTKSA-N -1 0 404.635 6.742 40 0 HKABRM CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)[O-])[C@@H]3CC[C@]12C ZINC000004831131 557603932 /nfs/dbraw/zinc/60/39/32/557603932.db2.gz YSWDCQJTPYALJE-JSEHHCADSA-N -1 0 404.635 6.742 40 0 HKABRM O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Cl ZINC000004836007 560609259 /nfs/dbraw/zinc/60/92/59/560609259.db2.gz MZWYUNNGWCBUHG-UHFFFAOYSA-N -1 0 401.959 5.609 40 0 HKABRM Cc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1ccc(Cl)c(Cl)c1 ZINC000004996476 560619535 /nfs/dbraw/zinc/61/95/35/560619535.db2.gz AICUABOOVSREPL-UHFFFAOYSA-N -1 0 404.274 5.904 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC2=CCCCC2)cc1 ZINC000005012079 557625307 /nfs/dbraw/zinc/62/53/07/557625307.db2.gz XDTQUYTWJCSFHK-UHFFFAOYSA-N -1 0 422.554 5.041 40 0 HKABRM CCOC(=O)[C@](CCC(=O)[O-])(CCC(C)C)c1csc(Cc2ccc(C)cc2)n1 ZINC000005022657 557626768 /nfs/dbraw/zinc/62/67/68/557626768.db2.gz VWDGEKUYMAYVPY-QHCPKHFHSA-N -1 0 417.571 5.144 40 0 HKABRM CCOC(=O)[C@@](CCC(=O)[O-])(CCC(C)C)c1csc(Cc2ccc(C)cc2)n1 ZINC000005022661 557626746 /nfs/dbraw/zinc/62/67/46/557626746.db2.gz VWDGEKUYMAYVPY-HSZRJFAPSA-N -1 0 417.571 5.144 40 0 HKABRM Cc1ccc(C)c(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])c1 ZINC000005023157 557626977 /nfs/dbraw/zinc/62/69/77/557626977.db2.gz YSFPNQFZSSBBBU-UHFFFAOYSA-N -1 0 406.429 5.816 40 0 HKABRM Cc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1 ZINC000005023166 557627044 /nfs/dbraw/zinc/62/70/44/557627044.db2.gz FDDHZFRBIFDSQB-UHFFFAOYSA-N -1 0 416.502 6.282 40 0 HKABRM O=C([O-])Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(F)cc1 ZINC000005023187 560623741 /nfs/dbraw/zinc/62/37/41/560623741.db2.gz BFZZLPRCNCEKHZ-UHFFFAOYSA-N -1 0 407.264 5.082 40 0 HKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])c(C)c1 ZINC000005023202 559230595 /nfs/dbraw/zinc/23/05/95/559230595.db2.gz AGEHZKIHRJRDRX-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2 ZINC000005081945 557634387 /nfs/dbraw/zinc/63/43/87/557634387.db2.gz GYBADYHXHHPWEX-VWLOTQADSA-N -1 0 421.452 5.366 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@H]2C(=O)[O-] ZINC000005094737 557635142 /nfs/dbraw/zinc/63/51/42/557635142.db2.gz DHJHVSUPQKWXTJ-OUMDNPPYSA-N -1 0 417.549 5.018 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005094738 557635404 /nfs/dbraw/zinc/63/54/04/557635404.db2.gz DHJHVSUPQKWXTJ-AICRDVKUSA-N -1 0 417.549 5.018 40 0 HKABRM O=C([O-])O[C@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@H]1F ZINC000005225930 557640606 /nfs/dbraw/zinc/64/06/06/557640606.db2.gz YQCQZAIPKWXXJX-NQIIRXRSSA-N -1 0 408.322 6.275 40 0 HKABRM O=C([O-])O[C@@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@H]1F ZINC000005225934 557640667 /nfs/dbraw/zinc/64/06/67/557640667.db2.gz YQCQZAIPKWXXJX-WIYYLYMNSA-N -1 0 408.322 6.275 40 0 HKABRM O=C([O-])O[C@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@@H]1F ZINC000005225939 557640629 /nfs/dbraw/zinc/64/06/29/557640629.db2.gz YQCQZAIPKWXXJX-RXVVDRJESA-N -1 0 408.322 6.275 40 0 HKABRM O=C([O-])O[C@@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@@H]1F ZINC000005225943 557640652 /nfs/dbraw/zinc/64/06/52/557640652.db2.gz YQCQZAIPKWXXJX-GHTZIAJQSA-N -1 0 408.322 6.275 40 0 HKABRM Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4)o3)cc(C(=O)[O-])c2c1 ZINC000005234068 557640811 /nfs/dbraw/zinc/64/08/11/557640811.db2.gz ANILNBGUZBIZCM-UHFFFAOYSA-N -1 0 408.251 5.931 40 0 HKABRM CCc1ccc2nc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc(C(=O)[O-])c2c1 ZINC000005237258 560548537 /nfs/dbraw/zinc/54/85/37/560548537.db2.gz XUOUCTVHZVPHCP-UHFFFAOYSA-N -1 0 411.379 6.441 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000005249542 569328484 /nfs/dbraw/zinc/32/84/84/569328484.db2.gz VHSCDYSMUQXGJY-UHFFFAOYSA-N -1 0 416.502 5.201 40 0 HKABRM Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)[O-])cc1 ZINC000005363232 560737316 /nfs/dbraw/zinc/73/73/16/560737316.db2.gz NOCDKRIOXMJXFY-LIONHTAISA-N -1 0 411.501 5.388 40 0 HKABRM COc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)c2C(=O)[O-])cc1 ZINC000005417784 568443403 /nfs/dbraw/zinc/44/34/03/568443403.db2.gz WIBJCBNMOLAALK-UHFFFAOYSA-N -1 0 417.486 5.456 40 0 HKABRM CC(/C=C/[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000005431517 557653385 /nfs/dbraw/zinc/65/33/85/557653385.db2.gz SETVRSKZJJWOPA-DLCMNRSOSA-N -1 0 404.934 5.559 40 0 HKABRM CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000005431520 291283404 /nfs/dbraw/zinc/28/34/04/291283404.db2.gz SETVRSKZJJWOPA-FLDGXQSCSA-N -1 0 404.934 5.559 40 0 biogenic,in-vitro HKABRM CC(C)C[C@@H](C)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000005454273 557654736 /nfs/dbraw/zinc/65/47/36/557654736.db2.gz MDFAQXJJJLKKAC-SSDOTTSWSA-N -1 0 402.101 5.837 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000005457098 557654798 /nfs/dbraw/zinc/65/47/98/557654798.db2.gz DHJHVSUPQKWXTJ-WREZULKGSA-N -1 0 417.549 5.018 40 0 HKABRM Cc1oc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2c1C(=O)[O-] ZINC000005516147 560604168 /nfs/dbraw/zinc/60/41/68/560604168.db2.gz ZRWCSQPNTIHKGC-UHFFFAOYSA-N -1 0 413.495 5.288 40 0 HKABRM Oc1cc(OCCCCCCCCCCC2CC2)ccc1-c1nc2ccccc2[nH]1 ZINC000005532545 557659980 /nfs/dbraw/zinc/65/99/80/557659980.db2.gz AJXLZTHHWJVEIZ-UHFFFAOYSA-N -1 0 406.570 7.235 40 0 HKABRM CCc1cccc(CC)c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005598720 568936061 /nfs/dbraw/zinc/93/60/61/568936061.db2.gz BGUYJBLLMZUMKR-UHFFFAOYSA-N -1 0 422.550 5.173 40 0 HKABRM CC[C@@H](C)CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000005598984 557664592 /nfs/dbraw/zinc/66/45/92/557664592.db2.gz CFMPKQVSCLXKNN-SSDOTTSWSA-N -1 0 402.101 5.982 40 0 HKABRM O=C([O-])CC1=Cc2c(ccc3ccccc32)O[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000005604959 557664943 /nfs/dbraw/zinc/66/49/43/557664943.db2.gz KTZOLZOXAWWSBH-MHZLTWQESA-N -1 0 406.437 6.046 40 0 HKABRM O=C([O-])CC1=Cc2c(ccc3ccccc32)O[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000005604960 557664960 /nfs/dbraw/zinc/66/49/60/557664960.db2.gz KTZOLZOXAWWSBH-HHHXNRCGSA-N -1 0 406.437 6.046 40 0 HKABRM Cc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)[O-])s2)cc1 ZINC000005614124 557665377 /nfs/dbraw/zinc/66/53/77/557665377.db2.gz WIRBMXVGMYDOKX-UHFFFAOYSA-N -1 0 416.502 6.282 40 0 HKABRM Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1C ZINC000005614457 557665357 /nfs/dbraw/zinc/66/53/57/557665357.db2.gz BUNSVDSXSRHLJD-UHFFFAOYSA-N -1 0 406.429 5.816 40 0 HKABRM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c(F)c(F)c(F)c(F)c1F ZINC000005676202 557668321 /nfs/dbraw/zinc/66/83/21/557668321.db2.gz YOVDMYRLKLEKBK-UHFFFAOYSA-N -1 0 404.747 5.411 40 0 HKABRM CCCC[C@H](C(=O)[O-])c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000005713401 557669999 /nfs/dbraw/zinc/66/99/99/557669999.db2.gz WXUQHHPIRQTVBY-KRWDZBQOSA-N -1 0 414.303 5.055 40 0 HKABRM CCCC[C@@H](C(=O)[O-])c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 ZINC000005713541 557669951 /nfs/dbraw/zinc/66/99/51/557669951.db2.gz WXUQHHPIRQTVBY-QGZVFWFLSA-N -1 0 414.303 5.055 40 0 HKABRM CC1=C(/C=C/C2=C/C(=C/C(=O)[O-])C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000005757429 557673304 /nfs/dbraw/zinc/67/33/04/557673304.db2.gz OSJIOOWZMIEHAZ-YAAHVXRHSA-N -1 0 408.626 7.943 40 0 HKABRM CC1=C(/C=C/C2=C/C(=C\C(=O)[O-])C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000005812811 557676063 /nfs/dbraw/zinc/67/60/63/557676063.db2.gz OSJIOOWZMIEHAZ-NRJYQVFPSA-N -1 0 408.626 7.943 40 0 HKABRM CC(C)=CCc1c([O-])c(CC=C(C)C)c2occ(-c3ccc(O)cc3O)c(=O)c2c1O ZINC000005854394 291285935 /nfs/dbraw/zinc/28/59/35/291285935.db2.gz VYELCIXMHUBNAL-UHFFFAOYSA-N -1 0 422.477 5.300 40 0 biogenic,in-vitro HKABRM CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000005976771 560739139 /nfs/dbraw/zinc/73/91/39/560739139.db2.gz PMZKKCPVIPDZGP-UHFFFAOYSA-N -1 0 424.928 5.507 40 0 HKABRM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005978441 557683432 /nfs/dbraw/zinc/68/34/32/557683432.db2.gz CPFPKUIPEGPKJZ-UHFFFAOYSA-N -1 0 413.326 5.005 40 0 HKABRM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000005984500 557683486 /nfs/dbraw/zinc/68/34/86/557683486.db2.gz CDPSVYRGHSGEJT-SNVBAGLBSA-N -1 0 413.326 5.003 40 0 HKABRM CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005984508 557683493 /nfs/dbraw/zinc/68/34/93/557683493.db2.gz WLDCLTZKZUCTQO-SNVBAGLBSA-N -1 0 413.326 5.003 40 0 HKABRM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000005984773 557683511 /nfs/dbraw/zinc/68/35/11/557683511.db2.gz CDPSVYRGHSGEJT-JTQLQIEISA-N -1 0 413.326 5.003 40 0 HKABRM CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005984777 557683507 /nfs/dbraw/zinc/68/35/07/557683507.db2.gz WLDCLTZKZUCTQO-JTQLQIEISA-N -1 0 413.326 5.003 40 0 HKABRM Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC000006024046 569329306 /nfs/dbraw/zinc/32/93/06/569329306.db2.gz UGZQFQMSJAVTCA-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1Cl ZINC000006024057 560739451 /nfs/dbraw/zinc/73/94/51/560739451.db2.gz TYOXBGNMNOLDQG-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM CC(/C=C/[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C/Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000006068715 569027265 /nfs/dbraw/zinc/02/72/65/569027265.db2.gz SETVRSKZJJWOPA-BKNYIUHYSA-N -1 0 404.934 5.559 40 0 HKABRM CC(C)c1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1 ZINC000006077048 557686266 /nfs/dbraw/zinc/68/62/66/557686266.db2.gz MTJDVHQMMTUNTR-UHFFFAOYSA-N -1 0 420.456 6.323 40 0 HKABRM CCCc1sc(Nc2ccc(C(=O)[O-])cc2)nc1-c1ccc(Br)cc1 ZINC000006078140 557686404 /nfs/dbraw/zinc/68/64/04/557686404.db2.gz YMHUZPUPUUSNRL-UHFFFAOYSA-N -1 0 417.328 5.967 40 0 HKABRM COc1cc(/C=C/C(=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000006145575 568936783 /nfs/dbraw/zinc/93/67/83/568936783.db2.gz YLPOSCWZIYZGAP-MDZDMXLPSA-N -1 0 413.267 5.288 40 0 HKABRM CCc1nnc(C2=C([O-])C(=Cc3c4ccccc4cc4ccccc43)SC2=N)s1 ZINC000006160414 569329588 /nfs/dbraw/zinc/32/95/88/569329588.db2.gz IWVICFUTMGXZKU-STZOPLDQSA-N -1 0 415.543 5.825 40 0 HKABRM CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c2ccccc12 ZINC000006160417 569329622 /nfs/dbraw/zinc/32/96/22/569329622.db2.gz PPMIFVWXGLCXHF-WDGURZEJSA-N -1 0 409.536 5.070 40 0 HKABRM CC(C)c1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])cc1 ZINC000006190888 569031155 /nfs/dbraw/zinc/03/11/55/569031155.db2.gz XKXNJAIBAOFFQW-UHFFFAOYSA-N -1 0 421.349 6.611 40 0 HKABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2Cl)cc1 ZINC000006213930 569329997 /nfs/dbraw/zinc/32/99/97/569329997.db2.gz XHSWZDAJZXLTFY-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C ZINC000006213962 569329905 /nfs/dbraw/zinc/32/99/05/569329905.db2.gz GVVSGNQBTDDWII-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2CCOC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006230615 569330100 /nfs/dbraw/zinc/33/01/00/569330100.db2.gz YPIVMXAGEDMGCV-UHFFFAOYSA-N -1 0 423.553 5.166 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000006269863 569330285 /nfs/dbraw/zinc/33/02/85/569330285.db2.gz RQSCSMWYGHTBAE-BUVFEPMLSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000006269868 569330280 /nfs/dbraw/zinc/33/02/80/569330280.db2.gz RQSCSMWYGHTBAE-BUKVSMQUSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000006277038 557697665 /nfs/dbraw/zinc/69/76/65/557697665.db2.gz JLYGZQVAUKMGFP-HLAWJBBLSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@H]21 ZINC000006277040 557697607 /nfs/dbraw/zinc/69/76/07/557697607.db2.gz JLYGZQVAUKMGFP-HMXCVIKNSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@@H]21 ZINC000006277042 557697669 /nfs/dbraw/zinc/69/76/69/557697669.db2.gz JLYGZQVAUKMGFP-SESVDKBCSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@H]21 ZINC000006277044 557697671 /nfs/dbraw/zinc/69/76/71/557697671.db2.gz JLYGZQVAUKMGFP-CEWLAPEOSA-N -1 0 409.407 5.875 40 0 HKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000006332312 569331200 /nfs/dbraw/zinc/33/12/00/569331200.db2.gz RIKAFTZKGAHKNF-BYYHNAKLSA-N -1 0 409.489 6.885 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(Br)c1 ZINC000006335355 559199301 /nfs/dbraw/zinc/19/93/01/559199301.db2.gz XOPAYGKCSUMCCT-UHFFFAOYSA-N -1 0 404.691 5.577 40 0 HKABRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 ZINC000006352382 569331329 /nfs/dbraw/zinc/33/13/29/569331329.db2.gz CHROEUURYKMQIY-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1cc(Cl)ccc1Cl ZINC000006362301 560741376 /nfs/dbraw/zinc/74/13/76/560741376.db2.gz DEAUELWYPMCGTP-UHFFFAOYSA-N -1 0 410.347 5.945 40 0 HKABRM Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000006368756 560741340 /nfs/dbraw/zinc/74/13/40/560741340.db2.gz RSHFZDDROFLRSC-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@H]2C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000006401098 560756899 /nfs/dbraw/zinc/75/68/99/560756899.db2.gz AIKRVADVIYMACM-JSJNYSNDSA-N -1 0 410.539 5.059 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 ZINC000006423006 569332109 /nfs/dbraw/zinc/33/21/09/569332109.db2.gz RLFSKMNFFAPXHN-UHFFFAOYSA-N -1 0 404.691 5.577 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(/N=N/c2ccccc2)cc1 ZINC000006423111 569332091 /nfs/dbraw/zinc/33/20/91/569332091.db2.gz SNQYZYUGPYJWQG-BYYHNAKLSA-N -1 0 413.452 6.716 40 0 HKABRM Cc1nnc(SC(=Cc2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])[nH]1 ZINC000006456543 560742416 /nfs/dbraw/zinc/74/24/16/560742416.db2.gz HAGLUBSFIGBBGV-WQRHYEAKSA-N -1 0 404.495 5.096 40 0 HKABRM C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000006491308 557705189 /nfs/dbraw/zinc/70/51/89/557705189.db2.gz YXDIPGYMNWXTTF-LVVURWRHSA-N -1 0 419.565 5.350 40 0 HKABRM C[C@@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000006491335 557705221 /nfs/dbraw/zinc/70/52/21/557705221.db2.gz YXDIPGYMNWXTTF-NFOQYXNHSA-N -1 0 419.565 5.350 40 0 HKABRM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000006500079 557705745 /nfs/dbraw/zinc/70/57/45/557705745.db2.gz YXDIPGYMNWXTTF-ROCIFGRISA-N -1 0 419.565 5.350 40 0 HKABRM C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000006500166 557705736 /nfs/dbraw/zinc/70/57/36/557705736.db2.gz YXDIPGYMNWXTTF-MTEUTJCUSA-N -1 0 419.565 5.350 40 0 HKABRM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000006505468 569333069 /nfs/dbraw/zinc/33/30/69/569333069.db2.gz UYTPEJYIVGTUHM-QHHAFSJGSA-N -1 0 402.071 5.433 40 0 HKABRM Fc1ccc(CSC(=S)[N-]c2ccc(I)cc2)cc1 ZINC000006512359 557706221 /nfs/dbraw/zinc/70/62/21/557706221.db2.gz MWRWCAYPEMMNMV-UHFFFAOYSA-N -1 0 403.285 5.061 40 0 HKABRM FC(F)(F)c1cc([N-]C(=S)SCc2ccc3c(c2)OCO3)ccc1Cl ZINC000006513384 557706150 /nfs/dbraw/zinc/70/61/50/557706150.db2.gz GPYODPISXGEPPR-UHFFFAOYSA-N -1 0 405.850 5.718 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000006548794 569333339 /nfs/dbraw/zinc/33/33/39/569333339.db2.gz SABWOVREXJFSPA-JRGCBEDISA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000006548795 569333361 /nfs/dbraw/zinc/33/33/61/569333361.db2.gz SABWOVREXJFSPA-DUXKGJEZSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000006548799 569333414 /nfs/dbraw/zinc/33/34/14/569333414.db2.gz SABWOVREXJFSPA-DZFGPLHGSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Cc3ccccc3[C@H]21 ZINC000006548801 569333320 /nfs/dbraw/zinc/33/33/20/569333320.db2.gz SABWOVREXJFSPA-IOMROCGXSA-N -1 0 410.300 6.163 40 0 HKABRM Cc1nnc(SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)[O-])[nH]1 ZINC000006588214 569333577 /nfs/dbraw/zinc/33/35/77/569333577.db2.gz XQFWAADGEBTFEI-BKUYFWCQSA-N -1 0 417.490 5.063 40 0 HKABRM Cc1n[nH]c(SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)[O-])n1 ZINC000006588267 569333545 /nfs/dbraw/zinc/33/35/45/569333545.db2.gz SZQXDJHHUYLRJN-BKUYFWCQSA-N -1 0 417.490 5.063 40 0 HKABRM Cc1n[nH]c(SC(=Cc2cccc(OCc3cccc4ccccc43)c2)C(=O)[O-])n1 ZINC000006588329 569333622 /nfs/dbraw/zinc/33/36/22/569333622.db2.gz JBOKDNHAAKFKJT-BKUYFWCQSA-N -1 0 417.490 5.063 40 0 HKABRM Cc1n[nH]c(SC(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)[O-])n1 ZINC000006588343 569333626 /nfs/dbraw/zinc/33/36/26/569333626.db2.gz WVPHXDBAVQKYPE-BKUYFWCQSA-N -1 0 417.490 5.063 40 0 HKABRM CCOc1cc(COc2ccc(C(=O)[O-])cc2OCC)ccc1OCc1ccccc1 ZINC000006595626 569333617 /nfs/dbraw/zinc/33/36/17/569333617.db2.gz QZAVXHMIJHINOG-UHFFFAOYSA-N -1 0 422.477 5.340 40 0 HKABRM O=C(Nc1ccccc1)OCCSC(=S)[N-]c1ccc(Cl)c(Cl)c1 ZINC000006603115 557709918 /nfs/dbraw/zinc/70/99/18/557709918.db2.gz IJVRXFZXIBVTPI-UHFFFAOYSA-N -1 0 401.340 5.672 40 0 HKABRM O=C([O-])CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 ZINC000006616212 557710700 /nfs/dbraw/zinc/71/07/00/557710700.db2.gz XVSZXJOBQNRSQG-UHFFFAOYSA-N -1 0 405.906 6.399 40 0 HKABRM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000006656460 569334406 /nfs/dbraw/zinc/33/44/06/569334406.db2.gz FPISDFUPVDKOHY-VMPITWQZSA-N -1 0 411.679 5.178 40 0 HKABRM Cc1cc(C)c([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000006681759 560632458 /nfs/dbraw/zinc/63/24/58/560632458.db2.gz VUQQELVFGYKAEN-UHFFFAOYSA-N -1 0 414.552 5.035 40 0 HKABRM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000006706996 569334458 /nfs/dbraw/zinc/33/44/58/569334458.db2.gz KEYLEIKVYRSFHT-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000006788765 568459434 /nfs/dbraw/zinc/45/94/34/568459434.db2.gz AIKRVADVIYMACM-FIYPYCPBSA-N -1 0 410.539 5.059 40 0 HKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOC23CC4CC(CC(C4)C2)C3)cc1 ZINC000006845939 569334839 /nfs/dbraw/zinc/33/48/39/569334839.db2.gz UMAVFLHUXYJKNI-UHFFFAOYSA-N -1 0 407.554 5.466 40 0 HKABRM O=C([O-])CCC(=O)Nc1ccc(-c2csc(Nc3cccc4ccccc43)n2)cc1 ZINC000006899013 568463454 /nfs/dbraw/zinc/46/34/54/568463454.db2.gz JWHQPVYQIICFKV-UHFFFAOYSA-N -1 0 417.490 5.510 40 0 HKABRM COc1ccc(CN(C(=O)OCc2ccccc2C)c2ccccc2C(=O)[O-])cc1 ZINC000006925086 568936873 /nfs/dbraw/zinc/93/68/73/568936873.db2.gz PBIOQDFWOMDUCX-UHFFFAOYSA-N -1 0 405.450 5.045 40 0 HKABRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000006963635 569336405 /nfs/dbraw/zinc/33/64/05/569336405.db2.gz CHPOEUOXZFSYCK-UHFFFAOYSA-N -1 0 403.887 5.332 40 0 HKABRM COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)[O-])c2[C@H]2C=CC[C@@H]21 ZINC000006965746 569336508 /nfs/dbraw/zinc/33/65/08/569336508.db2.gz SMGIXUZTDDKXHN-PJSUUKDQSA-N -1 0 414.299 5.291 40 0 HKABRM COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)[O-])c2[C@H]2C=CC[C@H]21 ZINC000006965789 569336531 /nfs/dbraw/zinc/33/65/31/569336531.db2.gz SMGIXUZTDDKXHN-LRDNONRASA-N -1 0 414.299 5.291 40 0 HKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000007096019 569336806 /nfs/dbraw/zinc/33/68/06/569336806.db2.gz PRSUSOZVJJAIGF-OHUGHZGNSA-N -1 0 413.542 6.504 40 0 HKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 ZINC000007096060 569336760 /nfs/dbraw/zinc/33/67/60/569336760.db2.gz PRSUSOZVJJAIGF-UMEGOILYSA-N -1 0 413.542 6.504 40 0 HKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 ZINC000007096097 569336839 /nfs/dbraw/zinc/33/68/39/569336839.db2.gz PRSUSOZVJJAIGF-ZYLNGJIFSA-N -1 0 413.542 6.504 40 0 HKABRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 ZINC000007096143 569336819 /nfs/dbraw/zinc/33/68/19/569336819.db2.gz PRSUSOZVJJAIGF-WZOHSFFVSA-N -1 0 413.542 6.504 40 0 HKABRM CCCc1nc(SC(=Cc2c3cccc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000007342189 569337046 /nfs/dbraw/zinc/33/70/46/569337046.db2.gz SKFAAOKJWWTNFG-AQTBWJFISA-N -1 0 418.522 5.432 40 0 HKABRM CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])n[nH]1 ZINC000007342234 569337028 /nfs/dbraw/zinc/33/70/28/569337028.db2.gz YDTDUOKLTZGWHG-BOPFTXTBSA-N -1 0 416.934 5.036 40 0 HKABRM CCCc1nc(SC(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000007342284 569337040 /nfs/dbraw/zinc/33/70/40/569337040.db2.gz PFVRQDHJXKWOJE-AQTBWJFISA-N -1 0 404.495 5.123 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)[O-])n[nH]1 ZINC000007342292 569337016 /nfs/dbraw/zinc/33/70/16/569337016.db2.gz DDFGNSFGWGUVFO-PTNGSMBKSA-N -1 0 401.513 5.028 40 0 HKABRM CCCc1nc(SC(=Cc2ccc3c(c2)c2ccccc2n3CC)C(=O)[O-])n[nH]1 ZINC000007342304 569337064 /nfs/dbraw/zinc/33/70/64/569337064.db2.gz VBCVIVYPYOGUQY-UYRXBGFRSA-N -1 0 406.511 5.103 40 0 HKABRM CCCCOc1ccc2ccccc2c1C=C(Sc1n[nH]c(CCC)n1)C(=O)[O-] ZINC000007342315 569337018 /nfs/dbraw/zinc/33/70/18/569337018.db2.gz AOSQCEUYDHDVKD-RGEXLXHISA-N -1 0 411.527 5.307 40 0 HKABRM CCc1nc(SC(=Cc2c3cccc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000007342384 569337048 /nfs/dbraw/zinc/33/70/48/569337048.db2.gz KQZUZAVHGMWVNL-ATVHPVEESA-N -1 0 404.495 5.042 40 0 HKABRM CCc1nc(SC(=Cc2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])n[nH]1 ZINC000007342386 569337068 /nfs/dbraw/zinc/33/70/68/569337068.db2.gz RXVMBYBQJHYKPO-PDGQHHTCSA-N -1 0 418.522 5.350 40 0 HKABRM CCc1nnc(S/C(=C\c2c3cccc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])o1 ZINC000007342623 569337101 /nfs/dbraw/zinc/33/71/01/569337101.db2.gz BYUXTFKWHZFAJK-ATVHPVEESA-N -1 0 405.479 5.307 40 0 HKABRM CCc1nnc(S/C(=C\c2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])o1 ZINC000007342625 569337103 /nfs/dbraw/zinc/33/71/03/569337103.db2.gz BECMECOLIDADAF-PDGQHHTCSA-N -1 0 419.506 5.615 40 0 HKABRM CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)[O-])o1 ZINC000007342660 569337111 /nfs/dbraw/zinc/33/71/11/569337111.db2.gz OYYOSWUYRMLUHK-BOPFTXTBSA-N -1 0 416.886 5.082 40 0 HKABRM CCc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)[O-])o1 ZINC000007342664 569337090 /nfs/dbraw/zinc/33/70/90/569337090.db2.gz SPYWELDTXUEEPB-BOPFTXTBSA-N -1 0 416.886 5.082 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000007342843 569337102 /nfs/dbraw/zinc/33/71/02/569337102.db2.gz GGRLFUPSEYAUMA-NDENLUEZSA-N -1 0 407.470 5.327 40 0 HKABRM O=C([O-])/C(=C/c1c2ccccc2[nH]c1-c1ccccc1)Sc1nc2ccccc2[nH]1 ZINC000007342888 569337137 /nfs/dbraw/zinc/33/71/37/569337137.db2.gz CLOSPPDWTBNOSI-STZFKDTASA-N -1 0 411.486 5.929 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1c(C)cccc1C ZINC000007342894 569337138 /nfs/dbraw/zinc/33/71/38/569337138.db2.gz OOFXLYYJSSDOLV-BKUYFWCQSA-N -1 0 417.534 5.805 40 0 HKABRM CCn1c2ccccc2c2cc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])ccc21 ZINC000007342904 569337151 /nfs/dbraw/zinc/33/71/51/569337151.db2.gz QIJMPMYVMZENPT-HMAPJEAMSA-N -1 0 413.502 5.909 40 0 HKABRM CC(C)Oc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc12 ZINC000007342907 569337089 /nfs/dbraw/zinc/33/70/89/569337089.db2.gz WPOGSZJNPDKIJG-BKUYFWCQSA-N -1 0 404.491 5.721 40 0 HKABRM CCCCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342915 569337098 /nfs/dbraw/zinc/33/70/98/569337098.db2.gz MUKRHZSISRFMKB-JCMHNJIXSA-N -1 0 418.518 6.113 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000007342947 569337139 /nfs/dbraw/zinc/33/71/39/569337139.db2.gz VBCGEMANOCDCSU-BKUYFWCQSA-N -1 0 403.507 5.497 40 0 HKABRM CC(C)Oc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342954 569337134 /nfs/dbraw/zinc/33/71/34/569337134.db2.gz UVTMWPLYZBTZDR-BKUYFWCQSA-N -1 0 404.491 5.721 40 0 HKABRM Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000007342965 569337115 /nfs/dbraw/zinc/33/71/15/569337115.db2.gz CANUIGDLFSBLBT-FYJGNVAPSA-N -1 0 403.507 5.497 40 0 HKABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1OCC ZINC000007360599 569337190 /nfs/dbraw/zinc/33/71/90/569337190.db2.gz BPYBMRJFDPYAPT-UHFFFAOYSA-N -1 0 413.495 5.077 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000007365477 569337438 /nfs/dbraw/zinc/33/74/38/569337438.db2.gz KRYZSDRAXZMHMI-NDENLUEZSA-N -1 0 408.454 5.592 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1c(C)cccc1C ZINC000007365501 569337495 /nfs/dbraw/zinc/33/74/95/569337495.db2.gz SZVUWUOLSZCHLU-BKUYFWCQSA-N -1 0 418.518 6.070 40 0 HKABRM CCn1c2ccccc2c2cc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])ccc21 ZINC000007365514 569337470 /nfs/dbraw/zinc/33/74/70/569337470.db2.gz BZLVOFLHBHCUQV-HMAPJEAMSA-N -1 0 414.486 6.173 40 0 HKABRM Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000007365536 569337485 /nfs/dbraw/zinc/33/74/85/569337485.db2.gz XSTJIAROWIFMNI-BKUYFWCQSA-N -1 0 404.491 5.762 40 0 HKABRM Cc1cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000007365546 569337479 /nfs/dbraw/zinc/33/74/79/569337479.db2.gz NNBNAPJZIDQHOP-FYJGNVAPSA-N -1 0 404.491 5.762 40 0 HKABRM CCc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)[O-])o1 ZINC000007365626 569337448 /nfs/dbraw/zinc/33/74/48/569337448.db2.gz PPWQMECLQCBKBQ-MOSHPQCFSA-N -1 0 419.506 5.161 40 0 HKABRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000007405714 560750884 /nfs/dbraw/zinc/75/08/84/560750884.db2.gz ANQSADQGWGZJAJ-UHFFFAOYSA-N -1 0 404.624 5.466 40 0 HKABRM CCc1nnc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[O-])o1 ZINC000007508378 569337716 /nfs/dbraw/zinc/33/77/16/569337716.db2.gz XVDCCDXGXNGJIE-LCYFTJDESA-N -1 0 408.888 5.247 40 0 HKABRM CCc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000007508553 569337725 /nfs/dbraw/zinc/33/77/25/569337725.db2.gz QSQPOQRAJRMLAD-BOPFTXTBSA-N -1 0 416.886 5.082 40 0 HKABRM CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)[O-])o1 ZINC000007508618 569337719 /nfs/dbraw/zinc/33/77/19/569337719.db2.gz WOWZOTDNPCGGMB-BOPFTXTBSA-N -1 0 416.886 5.082 40 0 HKABRM CCc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)[O-])o1 ZINC000007508624 569337721 /nfs/dbraw/zinc/33/77/21/569337721.db2.gz YQZYPJIABMDXOD-BOPFTXTBSA-N -1 0 416.886 5.082 40 0 HKABRM O=C([O-])/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2o1 ZINC000007602870 569337771 /nfs/dbraw/zinc/33/77/71/569337771.db2.gz QRYYCCHBHDAUJE-WQRHYEAKSA-N -1 0 408.391 5.214 40 0 HKABRM O=C([O-])/C(=C/c1c2ccccc2[nH]c1-c1ccccc1)Sc1nc2ccccc2o1 ZINC000007603032 569337780 /nfs/dbraw/zinc/33/77/80/569337780.db2.gz DDWLCIDCUCHMHZ-STZFKDTASA-N -1 0 412.470 6.194 40 0 HKABRM CCCCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007603081 569337760 /nfs/dbraw/zinc/33/77/60/569337760.db2.gz SVSPVZORRYRGMC-JCMHNJIXSA-N -1 0 419.502 6.378 40 0 HKABRM C#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007603140 569337752 /nfs/dbraw/zinc/33/77/52/569337752.db2.gz CHNHPERCXOPVOV-STZFKDTASA-N -1 0 401.443 5.211 40 0 HKABRM CC(C)Oc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007603142 569337777 /nfs/dbraw/zinc/33/77/77/569337777.db2.gz FKBICEBWXWRRKL-BKUYFWCQSA-N -1 0 405.475 5.986 40 0 HKABRM N#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-] ZINC000007603144 569337729 /nfs/dbraw/zinc/33/77/29/569337729.db2.gz VWCGPFACPPODPW-MOSHPQCFSA-N -1 0 402.431 5.101 40 0 HKABRM CSc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603185 569337744 /nfs/dbraw/zinc/33/77/44/569337744.db2.gz VYAUAJMAACTESU-GDNBJRDFSA-N -1 0 404.900 5.330 40 0 HKABRM C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603192 569337730 /nfs/dbraw/zinc/33/77/30/569337730.db2.gz SVNCMWDATKUZIQ-ATVHPVEESA-N -1 0 414.870 5.173 40 0 HKABRM C=CCOc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1 ZINC000007603195 569337738 /nfs/dbraw/zinc/33/77/38/569337738.db2.gz IDCOKKDAIYINBQ-ATVHPVEESA-N -1 0 414.870 5.173 40 0 HKABRM C=CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000007603197 569337787 /nfs/dbraw/zinc/33/77/87/569337787.db2.gz XKJUQYVHXHPUCJ-ATVHPVEESA-N -1 0 414.870 5.173 40 0 HKABRM CC(C)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603206 569337789 /nfs/dbraw/zinc/33/77/89/569337789.db2.gz AJDNYJRVMAWFLM-BOPFTXTBSA-N -1 0 400.887 5.731 40 0 HKABRM Cc1[nH]c2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000007603212 569337753 /nfs/dbraw/zinc/33/77/53/569337753.db2.gz ODNRODCZTVLJIU-YVLHZVERSA-N -1 0 411.870 5.398 40 0 HKABRM CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603217 569337736 /nfs/dbraw/zinc/33/77/36/569337736.db2.gz WBMMEURKBURPSH-WJDWOHSUSA-N -1 0 402.859 5.007 40 0 HKABRM O=C([O-])/C(=C/c1cccc2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)o1 ZINC000007603224 569337743 /nfs/dbraw/zinc/33/77/43/569337743.db2.gz BGXVYOMXNZADAD-PDGQHHTCSA-N -1 0 408.866 5.761 40 0 HKABRM CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000007603236 569337739 /nfs/dbraw/zinc/33/77/39/569337739.db2.gz JTDAYAZYWOGFCW-WJDWOHSUSA-N -1 0 402.859 5.007 40 0 HKABRM CC(C)Oc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000007603239 569337776 /nfs/dbraw/zinc/33/77/76/569337776.db2.gz OZXHJTSCMCRPSN-BOPFTXTBSA-N -1 0 416.886 5.395 40 0 HKABRM CC(C)Oc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603242 569337786 /nfs/dbraw/zinc/33/77/86/569337786.db2.gz JEJFUJOLGGNLMI-BOPFTXTBSA-N -1 0 416.886 5.395 40 0 HKABRM CCCOc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007603246 569337740 /nfs/dbraw/zinc/33/77/40/569337740.db2.gz JQQVCSBNRCTAJV-SFQUDFHCSA-N -1 0 416.886 5.397 40 0 HKABRM CSc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000007603256 569337774 /nfs/dbraw/zinc/33/77/74/569337774.db2.gz UYJUKXQYJHBPQM-GDNBJRDFSA-N -1 0 403.916 5.065 40 0 HKABRM Cc1[nH]c2ccccc2c1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000007603283 569337747 /nfs/dbraw/zinc/33/77/47/569337747.db2.gz CXTGUQUMWSTHLL-YVLHZVERSA-N -1 0 410.886 5.133 40 0 HKABRM O=C([O-])C(=Cc1cccc2ccccc12)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000007603295 569337749 /nfs/dbraw/zinc/33/77/49/569337749.db2.gz PWLGPEUJVUPOSS-PDGQHHTCSA-N -1 0 407.882 5.496 40 0 HKABRM CC(C)Oc1ccccc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000007603317 569337802 /nfs/dbraw/zinc/33/78/02/569337802.db2.gz XQVKHAGOZKEZPP-BOPFTXTBSA-N -1 0 415.902 5.130 40 0 HKABRM CC(C)Oc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000007603324 569337816 /nfs/dbraw/zinc/33/78/16/569337816.db2.gz YYSRQKSWHXPMPH-BOPFTXTBSA-N -1 0 415.902 5.130 40 0 HKABRM CCCOc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1 ZINC000007603332 569337835 /nfs/dbraw/zinc/33/78/35/569337835.db2.gz MJZJISKGICDNAW-SFQUDFHCSA-N -1 0 415.902 5.132 40 0 HKABRM Cc1nnc(S/C(=C\c2c3cc(C)cc(C)c3[nH]c2-c2ccccc2)C(=O)[O-])o1 ZINC000007603445 569337813 /nfs/dbraw/zinc/33/78/13/569337813.db2.gz LZASMWDBMGILNI-WQRHYEAKSA-N -1 0 405.479 5.361 40 0 HKABRM CCOc1cc(C(=O)[O-])cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007604185 559254501 /nfs/dbraw/zinc/25/45/01/559254501.db2.gz VYEBMYAYZAPDAE-UHFFFAOYSA-N -1 0 405.712 5.156 40 0 HKABRM CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000007881363 569338072 /nfs/dbraw/zinc/33/80/72/569338072.db2.gz NXTZOBBYTLBODS-GOSISDBHSA-N -1 0 415.489 5.242 40 0 HKABRM CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000007881364 569338073 /nfs/dbraw/zinc/33/80/73/569338073.db2.gz NXTZOBBYTLBODS-SFHVURJKSA-N -1 0 415.489 5.242 40 0 HKABRM Cc1[n-]n2c(nc(C)c(Cc3ccc(C(C)C)cc3)c2=O)c1-c1ccc(Cl)cc1 ZINC000008018200 560753034 /nfs/dbraw/zinc/75/30/34/560753034.db2.gz YISNONXKFOVOGV-UHFFFAOYSA-N -1 0 405.929 5.674 40 0 HKABRM O=c1nc(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)[nH]c(=S)[n-]1 ZINC000008034228 557770787 /nfs/dbraw/zinc/77/07/87/557770787.db2.gz RGHGLIUDJMATHB-UHFFFAOYSA-N -1 0 423.561 5.799 40 0 in-vitro HKABRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1F ZINC000008041044 569339241 /nfs/dbraw/zinc/33/92/41/569339241.db2.gz OPVADNDFZRBEAI-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c(C)c1 ZINC000008333641 569340093 /nfs/dbraw/zinc/34/00/93/569340093.db2.gz MYLNPKJTVRAPNN-UHFFFAOYSA-N -1 0 401.915 5.858 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000008336422 560754227 /nfs/dbraw/zinc/75/42/27/560754227.db2.gz LSJXBMAAWDNONA-UHFFFAOYSA-N -1 0 403.887 5.250 40 0 HKABRM O=C([O-])/C=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008377079 569340217 /nfs/dbraw/zinc/34/02/17/569340217.db2.gz YYBZWRHYAPZNEH-QHHAFSJGSA-N -1 0 402.071 5.433 40 0 HKABRM CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008434550 569341092 /nfs/dbraw/zinc/34/10/92/569341092.db2.gz ZFLSZVNXCGGNNU-UHFFFAOYSA-N -1 0 416.477 5.014 40 0 HKABRM CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000008434551 569341093 /nfs/dbraw/zinc/34/10/93/569341093.db2.gz XQGSZLIANAPENA-UHFFFAOYSA-N -1 0 416.477 5.014 40 0 HKABRM CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000008434552 569341095 /nfs/dbraw/zinc/34/10/95/569341095.db2.gz AMKXZAONIOLOKO-UHFFFAOYSA-N -1 0 416.477 5.014 40 0 HKABRM O=C(CN(c1n[n-]c(=S)s1)c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000008436104 568501079 /nfs/dbraw/zinc/50/10/79/568501079.db2.gz PXZYBAFFQXCPHI-UHFFFAOYSA-N -1 0 411.339 5.284 40 0 HKABRM O=C(CN(c1n[n-]c(=S)s1)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000008436105 568501113 /nfs/dbraw/zinc/50/11/13/568501113.db2.gz YSAJBFNWSIHYIT-UHFFFAOYSA-N -1 0 411.339 5.284 40 0 HKABRM O=C(CN(c1n[n-]c(=S)s1)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000008436106 568501103 /nfs/dbraw/zinc/50/11/03/568501103.db2.gz DATIFSSISLKQRM-UHFFFAOYSA-N -1 0 411.339 5.284 40 0 HKABRM CC1=C(/C=C\C2=C/C(=C/C(=O)[O-])C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000008655916 557798870 /nfs/dbraw/zinc/79/88/70/557798870.db2.gz OSJIOOWZMIEHAZ-YQUVASAKSA-N -1 0 408.626 7.943 40 0 HKABRM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc21 ZINC000008783139 557808575 /nfs/dbraw/zinc/80/85/75/557808575.db2.gz HRFFRKOABNIECS-RBUKOAKNSA-N -1 0 412.898 5.226 40 0 HKABRM O=C([O-])[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc21 ZINC000008783140 569390381 /nfs/dbraw/zinc/39/03/81/569390381.db2.gz HRFFRKOABNIECS-RTBURBONSA-N -1 0 412.898 5.226 40 0 HKABRM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc21 ZINC000008783141 569390405 /nfs/dbraw/zinc/39/04/05/569390405.db2.gz HRFFRKOABNIECS-OALUTQOASA-N -1 0 412.898 5.226 40 0 HKABRM O=C([O-])[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc21 ZINC000008783142 569390391 /nfs/dbraw/zinc/39/03/91/569390391.db2.gz HRFFRKOABNIECS-MOPGFXCFSA-N -1 0 412.898 5.226 40 0 HKABRM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000009694991 560760201 /nfs/dbraw/zinc/76/02/01/560760201.db2.gz GYSRLFGSQYNRBT-UHFFFAOYSA-N -1 0 408.306 5.728 40 0 HKABRM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000010009741 557853802 /nfs/dbraw/zinc/85/38/02/557853802.db2.gz HYCVPOAQIQNKHU-UHFFFAOYSA-N -1 0 414.552 5.144 40 0 HKABRM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157481 557856394 /nfs/dbraw/zinc/85/63/94/557856394.db2.gz APYSQKPZYKIKCO-HNNXBMFYSA-N -1 0 415.522 5.008 40 0 HKABRM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157482 557856405 /nfs/dbraw/zinc/85/64/05/557856405.db2.gz APYSQKPZYKIKCO-OAHLLOKOSA-N -1 0 415.522 5.008 40 0 HKABRM Cc1cc(C)c2nc([N-]c3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157485 557856660 /nfs/dbraw/zinc/85/66/60/557856660.db2.gz FVVJLEASNVVNSB-HNNXBMFYSA-N -1 0 415.522 5.063 40 0 HKABRM Cc1cc(C)c2nc([N-]c3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 ZINC000010157486 557856614 /nfs/dbraw/zinc/85/66/14/557856614.db2.gz FVVJLEASNVVNSB-OAHLLOKOSA-N -1 0 415.522 5.063 40 0 HKABRM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000010302071 569343314 /nfs/dbraw/zinc/34/33/14/569343314.db2.gz AEHSFNSDJNJVMN-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM Cc1[n-]n2c(nc(CSc3nc4ccccc4o3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000010338913 560768290 /nfs/dbraw/zinc/76/82/90/560768290.db2.gz ROGRFLVFJNUEBO-UHFFFAOYSA-N -1 0 422.897 5.085 40 0 HKABRM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccs1 ZINC000011615796 559114908 /nfs/dbraw/zinc/11/49/08/559114908.db2.gz RSIMBHHMQORXIY-UHFFFAOYSA-N -1 0 400.308 5.648 40 0 HKABRM O=C([O-])c1cc(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(F)cc21 ZINC000012042425 558313246 /nfs/dbraw/zinc/31/32/46/558313246.db2.gz CEWZQKXFCMCGSM-UHFFFAOYSA-N -1 0 412.214 5.762 40 0 HKABRM N=C1c2c(nc(-c3ccccc3)cc2-c2ccccc2)S[C@]1(C(=O)[O-])c1ccccc1 ZINC000012249788 558362226 /nfs/dbraw/zinc/36/22/26/558362226.db2.gz SPOQLIWPWZDVMJ-AREMUKBSSA-N -1 0 422.509 5.869 40 0 HKABRM N#Cc1c2c(sc1N=Cc1ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o1)CCCC2 ZINC000012428591 560780598 /nfs/dbraw/zinc/78/05/98/560780598.db2.gz KZWRJUAFFQGMCA-UHFFFAOYSA-N -1 0 410.882 5.861 40 0 HKABRM CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl ZINC000013061546 560793078 /nfs/dbraw/zinc/79/30/78/560793078.db2.gz DOUFDGGVJXNNFN-UHFFFAOYSA-N -1 0 408.310 5.262 40 0 HKABRM O=C([O-])c1cc2ccccc2cc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013080400 558512373 /nfs/dbraw/zinc/51/23/73/558512373.db2.gz OLIFXLHTXBSKLU-UHFFFAOYSA-N -1 0 413.429 5.348 40 0 HKABRM O=C([O-])c1ccc2ccccc2c1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013086132 558512587 /nfs/dbraw/zinc/51/25/87/558512587.db2.gz GSMMSSLXSNRYCN-UHFFFAOYSA-N -1 0 413.429 5.348 40 0 HKABRM Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)[O-])cc1 ZINC000013133245 560801261 /nfs/dbraw/zinc/80/12/61/560801261.db2.gz NOCDKRIOXMJXFY-JBXUNAHCSA-N -1 0 411.501 5.388 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000013167686 560802421 /nfs/dbraw/zinc/80/24/21/560802421.db2.gz IOEUQJSVMQYZGF-UHFFFAOYSA-N -1 0 400.670 5.812 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000013168138 558525179 /nfs/dbraw/zinc/52/51/79/558525179.db2.gz PJJIKOHJKWOVGS-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000013168154 558525166 /nfs/dbraw/zinc/52/51/66/558525166.db2.gz NYILIIKKSHGEMK-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000013168158 558525254 /nfs/dbraw/zinc/52/52/54/558525254.db2.gz GHYLAMADFYIONH-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000013355367 560804878 /nfs/dbraw/zinc/80/48/78/560804878.db2.gz UARDPKFLQBTFTM-UHFFFAOYSA-N -1 0 408.310 5.262 40 0 HKABRM Cc1cc(SCc2ccc(C(=O)[O-])cc2)nc(SCc2ccc(Cl)cc2)n1 ZINC000013401544 569255588 /nfs/dbraw/zinc/25/55/88/569255588.db2.gz ASYRMEHCLCESNN-UHFFFAOYSA-N -1 0 416.955 5.721 40 0 HKABRM CC(C)C/C=C\[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000013408886 569357043 /nfs/dbraw/zinc/35/70/43/569357043.db2.gz XBGUSQBSWPZOOX-KIKWEQBESA-N -1 0 414.630 6.229 40 0 HKABRM CC(C)C/C=C\[C@@H](C(=O)[O-])C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408890 558532024 /nfs/dbraw/zinc/53/20/24/558532024.db2.gz XBGUSQBSWPZOOX-MWNDIZLISA-N -1 0 414.630 6.229 40 0 HKABRM CC(C)C/C=C\[C@H](C(=O)[O-])C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408893 558531956 /nfs/dbraw/zinc/53/19/56/558531956.db2.gz XBGUSQBSWPZOOX-MUEZKYNXSA-N -1 0 414.630 6.229 40 0 HKABRM O=C([O-])c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000013422917 560811217 /nfs/dbraw/zinc/81/12/17/560811217.db2.gz ZKIJBIKVEMLBPF-UHFFFAOYSA-N -1 0 409.052 5.016 40 0 HKABRM O=C([O-])Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000013425542 569255553 /nfs/dbraw/zinc/25/55/53/569255553.db2.gz GFQJYXYFAJFJEB-UHFFFAOYSA-N -1 0 420.465 6.112 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000013425962 558532387 /nfs/dbraw/zinc/53/23/87/558532387.db2.gz OTOSAPSMOLSODL-UHFFFAOYSA-N -1 0 409.747 5.569 40 0 HKABRM CC(/C=C/C=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)[O-] ZINC000013522253 558536488 /nfs/dbraw/zinc/53/64/88/558536488.db2.gz BHIBZAZKKARFIM-XRYBSMBUSA-N -1 0 420.540 6.916 40 0 in-vitro HKABRM O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013673897 558563678 /nfs/dbraw/zinc/56/36/78/558563678.db2.gz ZHGVODAMISMZHU-UHFFFAOYSA-N -1 0 424.374 6.087 40 0 HKABRM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000013676796 558564690 /nfs/dbraw/zinc/56/46/90/558564690.db2.gz PYCACWUDNKXUNG-UHFFFAOYSA-N -1 0 418.651 5.608 40 0 HKABRM COc1ccc(-n2c(CNc3cc(C(F)(F)F)ccc3Cl)n[n-]c2=S)cc1 ZINC000013992120 560831477 /nfs/dbraw/zinc/83/14/77/560831477.db2.gz GMWOCJKJHUUJQP-UHFFFAOYSA-N -1 0 414.840 5.223 40 0 HKABRM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000013998019 560832092 /nfs/dbraw/zinc/83/20/92/560832092.db2.gz HLVQRPUFGVTTRL-LFIBNONCSA-N -1 0 420.534 5.065 40 0 HKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000014152997 560839154 /nfs/dbraw/zinc/83/91/54/560839154.db2.gz YRDAYEWTRFVVSZ-UHFFFAOYSA-N -1 0 404.510 5.162 40 0 HKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000014153003 560839165 /nfs/dbraw/zinc/83/91/65/560839165.db2.gz MMDKEQCVVLKEQC-UHFFFAOYSA-N -1 0 417.292 5.171 40 0 HKABRM CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000014153612 560839155 /nfs/dbraw/zinc/83/91/55/560839155.db2.gz ITGCIZNOHHUBQT-UHFFFAOYSA-N -1 0 422.550 5.227 40 0 HKABRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 ZINC000014153655 560839152 /nfs/dbraw/zinc/83/91/52/560839152.db2.gz YFYQKSMCTLKCSW-UHFFFAOYSA-N -1 0 408.523 5.172 40 0 HKABRM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000014154099 560839954 /nfs/dbraw/zinc/83/99/54/560839954.db2.gz XJHXXSJBGFFJJK-XNTDXEJSSA-N -1 0 420.534 5.065 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000014155683 560840194 /nfs/dbraw/zinc/84/01/94/560840194.db2.gz LBMPEOWSHMSYMP-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1ccc(Br)cc1 ZINC000014223119 560840648 /nfs/dbraw/zinc/84/06/48/560840648.db2.gz ACAOOGZVYMZFHC-UHFFFAOYSA-N -1 0 420.353 5.401 40 0 HKABRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000014255076 569259341 /nfs/dbraw/zinc/25/93/41/569259341.db2.gz JQKCEYWWPGEMGF-UHFFFAOYSA-N -1 0 405.517 5.754 40 0 HKABRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(Br)s1 ZINC000014257154 560840370 /nfs/dbraw/zinc/84/03/70/560840370.db2.gz MKGIYAMGYUWXAS-UHFFFAOYSA-N -1 0 410.314 5.104 40 0 HKABRM CC[C@@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c2c1OC(C)(C)C=C2 ZINC000014585963 291292503 /nfs/dbraw/zinc/29/25/03/291292503.db2.gz YJSXHUXXMDAOCE-CQSZACIVSA-N -1 0 404.462 5.579 40 0 biogenic,in-vitro HKABRM CC[C@H](C)C(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c2c1OC(C)(C)C=C2 ZINC000014585965 291292961 /nfs/dbraw/zinc/29/29/61/291292961.db2.gz YJSXHUXXMDAOCE-AWEZNQCLSA-N -1 0 404.462 5.579 40 0 biogenic,in-vitro HKABRM CC(C)=CCc1c([O-])cc(O)c2c(=O)c(CC=C(C)C)c(-c3ccc(O)cc3O)oc12 ZINC000014727558 574413645 /nfs/dbraw/zinc/41/36/45/574413645.db2.gz UWQYBLOHTQWSQD-UHFFFAOYSA-N -1 0 422.477 5.300 40 0 endogenous,in-man HKABRM CC(C)=CCC/C(C)=C/Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O ZINC000015253910 569321837 /nfs/dbraw/zinc/32/18/37/569321837.db2.gz GJFHZVPRFLHEBR-RGPRSXKESA-N -1 0 424.493 5.451 40 0 endogenous,in-man HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H]2C(=O)[O-] ZINC000015746542 558751609 /nfs/dbraw/zinc/75/16/09/558751609.db2.gz DHJHVSUPQKWXTJ-PEISPCAHSA-N -1 0 417.549 5.018 40 0 HKABRM CCCCOc1ccc(-c2c/c(=N\[C@H](C(=O)[O-])C(C)C)c3cc(C)ccc3o2)cc1 ZINC000015912687 569020965 /nfs/dbraw/zinc/02/09/65/569020965.db2.gz PRZUPWZIZZLTDO-TXNNXSEXSA-N -1 0 407.510 5.597 40 0 HKABRM CCCCOc1ccc(-c2c/c(=N\[C@@H](C(=O)[O-])C(C)C)c3cc(C)ccc3o2)cc1 ZINC000015912689 569020959 /nfs/dbraw/zinc/02/09/59/569020959.db2.gz PRZUPWZIZZLTDO-ZJDGTFPOSA-N -1 0 407.510 5.597 40 0 HKABRM O=c1nc(Oc2cccc(C(F)(F)F)c2)cc(Oc2cccc(C(F)(F)F)c2)[n-]1 ZINC000015922347 569022261 /nfs/dbraw/zinc/02/22/61/569022261.db2.gz YMWAEUVISMTDQH-UHFFFAOYSA-N -1 0 416.277 5.804 40 0 HKABRM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[C@H]1CCC=CCCC1 ZINC000016137495 558773452 /nfs/dbraw/zinc/77/34/52/558773452.db2.gz DTRBFLNFVGDWEK-QMMMGPOBSA-N -1 0 412.096 6.044 40 0 HKABRM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[C@@H]1CCC=CCCC1 ZINC000016137497 558773440 /nfs/dbraw/zinc/77/34/40/558773440.db2.gz DTRBFLNFVGDWEK-MRVPVSSYSA-N -1 0 412.096 6.044 40 0 HKABRM Cc1ccc(SCC(=O)c2cc(Br)cc(Br)c2[O-])cc1 ZINC000016310947 558785349 /nfs/dbraw/zinc/78/53/49/558785349.db2.gz ZNPIJNWOPRTSIE-UHFFFAOYSA-N -1 0 416.134 5.201 40 0 HKABRM N#C/C(=C\c1ccc([O-])c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000016440467 569345146 /nfs/dbraw/zinc/34/51/46/569345146.db2.gz SYLZOUDOWIUZFF-UXBLZVDNSA-N -1 0 412.070 5.007 40 0 HKABRM O=C([O-])[C@@H](Sc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccccc1 ZINC000016477165 558793654 /nfs/dbraw/zinc/79/36/54/558793654.db2.gz NVYQJVLIZXPLIF-FQEVSTJZSA-N -1 0 410.926 5.594 40 0 HKABRM O=C([O-])[C@H](Sc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccccc1 ZINC000016477168 558793612 /nfs/dbraw/zinc/79/36/12/558793612.db2.gz NVYQJVLIZXPLIF-HXUWFJFHSA-N -1 0 410.926 5.594 40 0 HKABRM O=S(=O)([N-]c1nc2c(ccc3ccccc23)s1)c1ccc(Br)cc1 ZINC000016526154 558795436 /nfs/dbraw/zinc/79/54/36/558795436.db2.gz MQWHAKVVMKJFRQ-UHFFFAOYSA-N -1 0 419.325 5.013 40 0 HKABRM Cc1ccc(-c2cs/c(=N\c3ccc(C(=O)[O-])cc3)n2Cc2ccccc2)cc1 ZINC000016711458 558801812 /nfs/dbraw/zinc/80/18/12/558801812.db2.gz LTPUBPMAYKSQKY-IZHYLOQSSA-N -1 0 400.503 5.504 40 0 HKABRM O=c1[n-]c(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccccc1Cl ZINC000016777189 569262707 /nfs/dbraw/zinc/26/27/07/569262707.db2.gz MEDONQMMUFAATJ-UHFFFAOYSA-N -1 0 412.729 5.421 40 0 HKABRM O=c1[n-]c(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccccc1Cl ZINC000016777363 569262743 /nfs/dbraw/zinc/26/27/43/569262743.db2.gz COUXQFJDWOPJHA-UHFFFAOYSA-N -1 0 403.873 5.309 40 0 HKABRM CC(C)c1ccc(Cc2nnc(Nc3ccc(Nc4ccccc4)cc3)[n-]c2=O)cc1 ZINC000016777473 569262785 /nfs/dbraw/zinc/26/27/85/569262785.db2.gz CVDLGOPQXCFKSV-UHFFFAOYSA-N -1 0 411.509 5.779 40 0 HKABRM O=c1[n-]c(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccc(Cl)cc1 ZINC000016806888 569263302 /nfs/dbraw/zinc/26/33/02/569263302.db2.gz VCOVYUDMDJGFMP-UHFFFAOYSA-N -1 0 403.873 5.309 40 0 HKABRM Cc1ccc(C(=O)Nc2c(C)c(Br)c([O-])c(Br)c2C)cc1 ZINC000016807770 558807785 /nfs/dbraw/zinc/80/77/85/558807785.db2.gz NGRNBUAJFGYWMM-UHFFFAOYSA-N -1 0 413.109 5.095 40 0 HKABRM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000017088199 560863175 /nfs/dbraw/zinc/86/31/75/560863175.db2.gz NAVNFFBVJVUDNL-VMPITWQZSA-N -1 0 409.338 5.349 40 0 HKABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)cc1Cl ZINC000017088388 560863384 /nfs/dbraw/zinc/86/33/84/560863384.db2.gz DPXHSFNIHBHREP-UHFFFAOYSA-N -1 0 410.109 5.133 40 0 HKABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)c(Cl)c1 ZINC000017088389 560863399 /nfs/dbraw/zinc/86/33/99/560863399.db2.gz OMNQVZQOQKYCGU-UHFFFAOYSA-N -1 0 410.109 5.133 40 0 HKABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1cc(Cl)ccc1Cl ZINC000017088391 560863388 /nfs/dbraw/zinc/86/33/88/560863388.db2.gz BYKZKVLODYBHQV-UHFFFAOYSA-N -1 0 410.109 5.133 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000017088576 558817338 /nfs/dbraw/zinc/81/73/38/558817338.db2.gz AIKRVADVIYMACM-LNKGRISISA-N -1 0 410.539 5.059 40 0 HKABRM CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@@H]2C(=O)[O-] ZINC000017088577 558817341 /nfs/dbraw/zinc/81/73/41/558817341.db2.gz AIKRVADVIYMACM-WOUAJJJCSA-N -1 0 410.539 5.059 40 0 HKABRM CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000017089484 560864375 /nfs/dbraw/zinc/86/43/75/560864375.db2.gz AELWXYXCBBPHOY-UHFFFAOYSA-N -1 0 413.326 5.005 40 0 HKABRM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000017089486 560864370 /nfs/dbraw/zinc/86/43/70/560864370.db2.gz JZZMGUUXRZMUTA-UHFFFAOYSA-N -1 0 413.326 5.005 40 0 HKABRM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccccc1[S-] ZINC000017090170 560864914 /nfs/dbraw/zinc/86/49/14/560864914.db2.gz KEQLPLAQZMROFP-ZRDIBKRKSA-N -1 0 414.939 5.415 40 0 HKABRM O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccccc2)cc1 ZINC000017090973 560865661 /nfs/dbraw/zinc/86/56/61/560865661.db2.gz WIALFMBSUQBNJO-UHFFFAOYSA-N -1 0 417.317 5.493 40 0 HKABRM O=C(NC(=S)Nc1ccccc1[S-])c1cccc2c(Br)cccc12 ZINC000017091007 560865801 /nfs/dbraw/zinc/86/58/01/560865801.db2.gz CXNZFGJNURXAIH-UHFFFAOYSA-N -1 0 417.353 5.018 40 0 HKABRM O=C(NC(=S)Nc1ccccc1[S-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017093484 560868130 /nfs/dbraw/zinc/86/81/30/560868130.db2.gz JEXDWQPRFDONBM-UHFFFAOYSA-N -1 0 423.346 5.669 40 0 HKABRM O=C(NC(=S)Nc1ccccc1[S-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017093485 560868155 /nfs/dbraw/zinc/86/81/55/560868155.db2.gz RYPOHBPSRXYIBP-UHFFFAOYSA-N -1 0 423.346 5.669 40 0 HKABRM Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)oc2c(C)c1 ZINC000017093622 560868135 /nfs/dbraw/zinc/86/81/35/560868135.db2.gz VKOAKIATATVYAP-UHFFFAOYSA-N -1 0 423.519 5.006 40 0 HKABRM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)oc2c(C)c1 ZINC000017093625 560868152 /nfs/dbraw/zinc/86/81/52/560868152.db2.gz PKPDTUKEOKFAME-UHFFFAOYSA-N -1 0 423.519 5.006 40 0 HKABRM Cc1ccc(NC(=O)c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2C)cc1 ZINC000019819561 558289985 /nfs/dbraw/zinc/28/99/85/558289985.db2.gz JZGNQNSGMOVBFG-UHFFFAOYSA-N -1 0 401.495 5.213 40 0 HKABRM Cc1nc([N-]c2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019819563 558289982 /nfs/dbraw/zinc/28/99/82/558289982.db2.gz IMZOETXLLMKNOP-UHFFFAOYSA-N -1 0 405.458 5.044 40 0 HKABRM CCc1ccc(NC(=O)c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2C)cc1 ZINC000019819566 558289893 /nfs/dbraw/zinc/28/98/93/558289893.db2.gz FOECFYHFJINNNX-UHFFFAOYSA-N -1 0 415.522 5.467 40 0 HKABRM Cc1nc([N-]c2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1cccc(Cl)c1 ZINC000019819572 558289953 /nfs/dbraw/zinc/28/99/53/558289953.db2.gz NZEBBHSCLQDHLE-UHFFFAOYSA-N -1 0 421.913 5.558 40 0 HKABRM Cc1ccc(NC(=O)c2cnc([N-]c3nc(-c4ccccc4)cs3)nc2C)cc1C ZINC000019819576 558289919 /nfs/dbraw/zinc/28/99/19/558289919.db2.gz KSNULXIGVOIEQV-UHFFFAOYSA-N -1 0 415.522 5.521 40 0 HKABRM COc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1 ZINC000019894580 558303672 /nfs/dbraw/zinc/30/36/72/558303672.db2.gz QKJQRCVLNUJDTL-UHFFFAOYSA-N -1 0 408.401 5.208 40 0 HKABRM COc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])cc1 ZINC000019894581 523222522 /nfs/dbraw/zinc/22/25/22/523222522.db2.gz LIQNLHPQXPLXKZ-UHFFFAOYSA-N -1 0 409.294 5.496 40 0 HKABRM CCc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])cc1 ZINC000019894587 523861259 /nfs/dbraw/zinc/86/12/59/523861259.db2.gz LRZDJFDERYNUKK-UHFFFAOYSA-N -1 0 407.322 6.050 40 0 HKABRM CCc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1 ZINC000019894589 523861641 /nfs/dbraw/zinc/86/16/41/523861641.db2.gz BHRBPYLTYSGRTH-UHFFFAOYSA-N -1 0 406.429 5.762 40 0 HKABRM COC(=O)c1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000019894594 522135851 /nfs/dbraw/zinc/13/58/51/522135851.db2.gz NILBNKSGIKQOJF-UHFFFAOYSA-N -1 0 410.495 5.091 40 0 HKABRM O=C([O-])c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)cc1Cl ZINC000020137049 526350034 /nfs/dbraw/zinc/35/00/34/526350034.db2.gz NIOCWDBNZWUTLX-UHFFFAOYSA-N -1 0 400.261 5.462 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2cc(Br)ccc2Cl)c(Cl)cc1Cl ZINC000020138458 558338266 /nfs/dbraw/zinc/33/82/66/558338266.db2.gz PSMREKYLCJSYPN-UHFFFAOYSA-N -1 0 423.477 5.360 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000020139026 526369850 /nfs/dbraw/zinc/36/98/50/526369850.db2.gz IXYWWXPOPZLVGE-UHFFFAOYSA-N -1 0 404.647 5.206 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2cccc3c(Br)cccc23)ccc1Cl ZINC000020139033 558338198 /nfs/dbraw/zinc/33/81/98/558338198.db2.gz ILXZSDGKXWMROJ-UHFFFAOYSA-N -1 0 404.647 5.206 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1Cl ZINC000020139053 558338261 /nfs/dbraw/zinc/33/82/61/558338261.db2.gz ZFSZKGBGCAXCIM-UHFFFAOYSA-N -1 0 404.647 5.206 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2sc3ccccc3c2Cl)c(Cl)cc1Cl ZINC000020139483 558338481 /nfs/dbraw/zinc/33/84/81/558338481.db2.gz QIOZABBLRZSPJL-UHFFFAOYSA-N -1 0 400.670 5.812 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Cl ZINC000020139536 560881123 /nfs/dbraw/zinc/88/11/23/560881123.db2.gz NKNOOHMZLPLFIT-UHFFFAOYSA-N -1 0 400.670 5.812 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl ZINC000020139548 560881137 /nfs/dbraw/zinc/88/11/37/560881137.db2.gz NXRQUSSPRABCKJ-UHFFFAOYSA-N -1 0 400.670 5.812 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000020139804 526370337 /nfs/dbraw/zinc/37/03/37/526370337.db2.gz JOIUPNACKAILHX-UHFFFAOYSA-N -1 0 420.646 5.313 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1Cl ZINC000020139808 558338482 /nfs/dbraw/zinc/33/84/82/558338482.db2.gz SMMXUMKZJSQRCV-UHFFFAOYSA-N -1 0 420.646 5.313 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1Cl ZINC000020139821 558338459 /nfs/dbraw/zinc/33/84/59/558338459.db2.gz VMXUOFJRMUJJKD-UHFFFAOYSA-N -1 0 420.646 5.313 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl ZINC000020139860 558338460 /nfs/dbraw/zinc/33/84/60/558338460.db2.gz WDFVBQXOQAEPLM-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000020139868 558338477 /nfs/dbraw/zinc/33/84/77/558338477.db2.gz PULPOSFYFGXBBC-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000020139913 558338670 /nfs/dbraw/zinc/33/86/70/558338670.db2.gz VZXQITSLDXZOBJ-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020139916 558338608 /nfs/dbraw/zinc/33/86/08/558338608.db2.gz MFUBEQMUSYIKRT-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)[O-])c1O ZINC000020139931 525244133 /nfs/dbraw/zinc/24/41/33/525244133.db2.gz VSSSZCZEUORMNN-UHFFFAOYSA-N -1 0 406.221 5.218 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000020139967 558338581 /nfs/dbraw/zinc/33/85/81/558338581.db2.gz FJOGPXNUNVPWTC-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1Cl ZINC000020139973 526350356 /nfs/dbraw/zinc/35/03/56/526350356.db2.gz AEZDKPBSCXHRRM-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020139979 558338668 /nfs/dbraw/zinc/33/86/68/558338668.db2.gz MFPHSQVTNQTHAT-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl ZINC000020139989 558338652 /nfs/dbraw/zinc/33/86/52/558338652.db2.gz DEQQLJZOGBJOTR-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(=O)[O-])c1O ZINC000020139998 558338565 /nfs/dbraw/zinc/33/85/65/558338565.db2.gz JHBBOEQNVUESFK-UHFFFAOYSA-N -1 0 406.221 5.218 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Cl ZINC000020140028 558338644 /nfs/dbraw/zinc/33/86/44/558338644.db2.gz GUJPGVFQDKDUKP-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020140030 558338636 /nfs/dbraw/zinc/33/86/36/558338636.db2.gz BGNDYDHNFPCABA-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1Cl ZINC000020140036 558338641 /nfs/dbraw/zinc/33/86/41/558338641.db2.gz PXSWRAPYVYEMHU-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C(=O)[O-])c1O ZINC000020140044 558338680 /nfs/dbraw/zinc/33/86/80/558338680.db2.gz LQOGNOSCWKTGMP-UHFFFAOYSA-N -1 0 406.221 5.218 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000020140071 558338624 /nfs/dbraw/zinc/33/86/24/558338624.db2.gz FSKHJLGBSWMSFP-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1Cl ZINC000020140077 558338588 /nfs/dbraw/zinc/33/85/88/558338588.db2.gz ALLOBQOMKFASHV-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020140082 558338677 /nfs/dbraw/zinc/33/86/77/558338677.db2.gz IHGUZSJIPVCTLK-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl ZINC000020140092 558338584 /nfs/dbraw/zinc/33/85/84/558338584.db2.gz PKBMJDQVKZUPPQ-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM Cc1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc(C(=O)[O-])c1O ZINC000020140103 558338674 /nfs/dbraw/zinc/33/86/74/558338674.db2.gz BNAONIGTKUZMIC-UHFFFAOYSA-N -1 0 406.221 5.218 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020140138 558338648 /nfs/dbraw/zinc/33/86/48/558338648.db2.gz UCXCQSSODFYKDL-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl ZINC000020140145 526377420 /nfs/dbraw/zinc/37/74/20/526377420.db2.gz AGDWBWYTTILZGT-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(=O)[O-])c1O ZINC000020140151 558338628 /nfs/dbraw/zinc/33/86/28/558338628.db2.gz FLQQOPZFRXDUEG-UHFFFAOYSA-N -1 0 406.221 5.218 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(Cl)cc1Cl ZINC000020140187 558338619 /nfs/dbraw/zinc/33/86/19/558338619.db2.gz XBDKVSANEFHNNG-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020140199 558338575 /nfs/dbraw/zinc/33/85/75/558338575.db2.gz ISJAAPNMMVEAPM-UHFFFAOYSA-N -1 0 406.221 5.213 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1Cl ZINC000020140247 558338612 /nfs/dbraw/zinc/33/86/12/558338612.db2.gz MBZMHRYMZWUASV-UHFFFAOYSA-N -1 0 409.747 5.569 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1Cl ZINC000020140259 558338851 /nfs/dbraw/zinc/33/88/51/558338851.db2.gz LIABTAUNVRYRPD-UHFFFAOYSA-N -1 0 409.747 5.569 40 0 HKABRM Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])c(Cl)cc3Cl)o2)cc1Cl ZINC000020140304 558338917 /nfs/dbraw/zinc/33/89/17/558338917.db2.gz JLXQGJPWEIJIST-UHFFFAOYSA-N -1 0 424.667 6.166 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020140311 558338903 /nfs/dbraw/zinc/33/89/03/558338903.db2.gz XREAEDOQKJJVCP-UHFFFAOYSA-N -1 0 420.248 5.521 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020140373 558338925 /nfs/dbraw/zinc/33/89/25/558338925.db2.gz SKBPWCDSSXXDGS-UHFFFAOYSA-N -1 0 424.211 5.352 40 0 HKABRM COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020141320 558338880 /nfs/dbraw/zinc/33/88/80/558338880.db2.gz AKJYJLURNVXPAR-UHFFFAOYSA-N -1 0 409.052 5.259 40 0 HKABRM COc1c(Cl)cc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl ZINC000020142520 558339077 /nfs/dbraw/zinc/33/90/77/558339077.db2.gz UDCTYXWRXKMCND-UHFFFAOYSA-N -1 0 409.052 5.259 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000020143613 558339269 /nfs/dbraw/zinc/33/92/69/558339269.db2.gz MNNZNFWVLVWLCG-UHFFFAOYSA-N -1 0 419.820 5.064 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1Cl ZINC000020143632 558339275 /nfs/dbraw/zinc/33/92/75/558339275.db2.gz SZBPGOROKONMCD-UHFFFAOYSA-N -1 0 419.820 5.064 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 ZINC000020143663 558339481 /nfs/dbraw/zinc/33/94/81/558339481.db2.gz KYHCSDHKGYIMFI-UHFFFAOYSA-N -1 0 419.820 5.064 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Cl ZINC000020143667 558339452 /nfs/dbraw/zinc/33/94/52/558339452.db2.gz BLORTRLMLBSXPP-UHFFFAOYSA-N -1 0 419.820 5.064 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl ZINC000020143679 558339433 /nfs/dbraw/zinc/33/94/33/558339433.db2.gz LWTYXFMNEQTPOB-UHFFFAOYSA-N -1 0 419.820 5.064 40 0 HKABRM O=C([O-])c1cc(NC(=O)COc2ccc(Cl)cc2Cl)c(Cl)cc1Cl ZINC000020144210 558339475 /nfs/dbraw/zinc/33/94/75/558339475.db2.gz IZSFEJFIWLUNMA-UHFFFAOYSA-N -1 0 409.052 5.016 40 0 HKABRM Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020144509 558339713 /nfs/dbraw/zinc/33/97/13/558339713.db2.gz KPXDYHDNEVLBPR-UHFFFAOYSA-N -1 0 423.079 5.324 40 0 HKABRM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020144660 558339740 /nfs/dbraw/zinc/33/97/40/558339740.db2.gz YUDDKCIKJXBKAO-SSDOTTSWSA-N -1 0 423.079 5.404 40 0 HKABRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020144662 558339701 /nfs/dbraw/zinc/33/97/01/558339701.db2.gz YUDDKCIKJXBKAO-ZETCQYMHSA-N -1 0 423.079 5.404 40 0 HKABRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020144735 519378000 /nfs/dbraw/zinc/37/80/00/519378000.db2.gz SARKNYKTIRHDGR-UHFFFAOYSA-N -1 0 402.661 5.141 40 0 HKABRM O=C([O-])c1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(Cl)cc1Cl ZINC000020144903 558339921 /nfs/dbraw/zinc/33/99/21/558339921.db2.gz VVUYKFBWHVXXRB-UHFFFAOYSA-N -1 0 422.308 5.757 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000020144910 558339915 /nfs/dbraw/zinc/33/99/15/558339915.db2.gz FOPXDQOGKGRLBA-UHFFFAOYSA-N -1 0 417.889 5.112 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2cccc(OCc3ccccc3)c2)c(Cl)cc1Cl ZINC000020144948 558339903 /nfs/dbraw/zinc/33/99/03/558339903.db2.gz WDUKGWMOAUPIDT-UHFFFAOYSA-N -1 0 416.260 5.523 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(Cl)cc1Cl ZINC000020144984 558339837 /nfs/dbraw/zinc/33/98/37/558339837.db2.gz WZQWHTRACRHUKZ-UHFFFAOYSA-N -1 0 416.260 5.523 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(Cl)cc1Cl ZINC000020145259 558339864 /nfs/dbraw/zinc/33/98/64/558339864.db2.gz CCDUMOLYQBDEBO-VQHVLOKHSA-N -1 0 402.233 5.604 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Cl)cc1Cl ZINC000020145360 558339832 /nfs/dbraw/zinc/33/98/32/558339832.db2.gz RKFJBBHEHKVUGD-SOFGYWHQSA-N -1 0 420.223 5.743 40 0 HKABRM COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000020145368 558339880 /nfs/dbraw/zinc/33/98/80/558339880.db2.gz IVGKBOPZDMKUAE-VQHVLOKHSA-N -1 0 415.804 5.098 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c1 ZINC000020145410 558340140 /nfs/dbraw/zinc/34/01/40/558340140.db2.gz YGIXXVUXUHMZIQ-XBXARRHUSA-N -1 0 420.223 5.743 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Cl ZINC000020145413 526349625 /nfs/dbraw/zinc/34/96/25/526349625.db2.gz OMXRMRWRESLWSO-XBXARRHUSA-N -1 0 420.223 5.743 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000020145417 558340001 /nfs/dbraw/zinc/34/00/01/558340001.db2.gz RXPAQHJKAMBGJG-WEVVVXLNSA-N -1 0 415.804 5.098 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1Cl ZINC000020145427 558339998 /nfs/dbraw/zinc/33/99/98/558339998.db2.gz XUGUPKLJMIOXOW-XBXARRHUSA-N -1 0 420.223 5.743 40 0 HKABRM Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc(C(=O)[O-])c1O ZINC000020145437 558340068 /nfs/dbraw/zinc/34/00/68/558340068.db2.gz MPKFYAXVJAONRU-QPJJXVBHSA-N -1 0 415.804 5.103 40 0 HKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)[O-])ccc3Cl)o2)cc1Cl ZINC000020145461 558340155 /nfs/dbraw/zinc/34/01/55/558340155.db2.gz VMRLHMAGNINNCA-RMKNXTFCSA-N -1 0 416.260 5.912 40 0 HKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)o2)cc1Cl ZINC000020145465 525743426 /nfs/dbraw/zinc/74/34/26/525743426.db2.gz MFYKBUMWVQESOM-RMKNXTFCSA-N -1 0 416.260 5.912 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020145469 558340007 /nfs/dbraw/zinc/34/00/07/558340007.db2.gz GFZHQBKCOMWDFT-JXMROGBWSA-N -1 0 411.841 5.267 40 0 HKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)o2)cc1Cl ZINC000020145479 558340011 /nfs/dbraw/zinc/34/00/11/558340011.db2.gz LTLILOALLOMPRO-RMKNXTFCSA-N -1 0 416.260 5.912 40 0 HKABRM Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C)c(O)c(C(=O)[O-])c3)o2)cc1Cl ZINC000020145489 558340015 /nfs/dbraw/zinc/34/00/15/558340015.db2.gz PWPURXJTLKLGSS-SOFGYWHQSA-N -1 0 411.841 5.273 40 0 HKABRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000020150870 558340604 /nfs/dbraw/zinc/34/06/04/558340604.db2.gz QULABXQQHBLOPT-RMKNXTFCSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020150879 558340611 /nfs/dbraw/zinc/34/06/11/558340611.db2.gz TVASTYVNZWQJHB-RMKNXTFCSA-N -1 0 416.260 5.912 40 0 HKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1C(=O)[O-] ZINC000020150887 558340616 /nfs/dbraw/zinc/34/06/16/558340616.db2.gz YGEDHPWXOZOGML-JXMROGBWSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020150889 526374927 /nfs/dbraw/zinc/37/49/27/526374927.db2.gz LXIHRWATFLTASU-JXMROGBWSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020150891 558340597 /nfs/dbraw/zinc/34/05/97/558340597.db2.gz FUBXQMOUJKMWKN-WEVVVXLNSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020150897 558340513 /nfs/dbraw/zinc/34/05/13/558340513.db2.gz KKEJPKOZBSOWTD-JXMROGBWSA-N -1 0 416.260 5.281 40 0 HKABRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020150898 558340594 /nfs/dbraw/zinc/34/05/94/558340594.db2.gz YGBNULJQYXTMEV-JXMROGBWSA-N -1 0 416.260 5.532 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1O ZINC000020150900 526375438 /nfs/dbraw/zinc/37/54/38/526375438.db2.gz FQGNWWHXZGSZRO-XBXARRHUSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1O ZINC000020150903 558340506 /nfs/dbraw/zinc/34/05/06/558340506.db2.gz GDXQWRNSQXYNJF-XBXARRHUSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 ZINC000020150924 558340572 /nfs/dbraw/zinc/34/05/72/558340572.db2.gz XJNJBBMOCGUOED-CSKARUKUSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020150928 558340575 /nfs/dbraw/zinc/34/05/75/558340575.db2.gz URCHUFBDDHIVDP-CSKARUKUSA-N -1 0 416.260 5.912 40 0 HKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)[O-] ZINC000020150932 558340565 /nfs/dbraw/zinc/34/05/65/558340565.db2.gz KMJMAOUEJWXLNF-PKNBQFBNSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000020150933 526375180 /nfs/dbraw/zinc/37/51/80/526375180.db2.gz KUQSQNGLOFROQG-PKNBQFBNSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020150935 524192137 /nfs/dbraw/zinc/19/21/37/524192137.db2.gz CWBGQPCPTMHPMC-JXMROGBWSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000020150937 558340599 /nfs/dbraw/zinc/34/05/99/558340599.db2.gz CAMHQSFBAYECLC-PKNBQFBNSA-N -1 0 416.260 5.281 40 0 HKABRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000020150939 558340796 /nfs/dbraw/zinc/34/07/96/558340796.db2.gz MTXKKIAMQDRRGN-PKNBQFBNSA-N -1 0 416.260 5.532 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1O ZINC000020150940 558340815 /nfs/dbraw/zinc/34/08/15/558340815.db2.gz OZDCVYYGPMQAKV-RMKNXTFCSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1O ZINC000020150943 526350410 /nfs/dbraw/zinc/35/04/10/526350410.db2.gz NWFZYMJVXJVPIK-RMKNXTFCSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c1 ZINC000020150963 558340838 /nfs/dbraw/zinc/34/08/38/558340838.db2.gz JFTMNMCFWKYYRM-JXMROGBWSA-N -1 0 402.233 5.604 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)ccc1Cl ZINC000020150966 558340811 /nfs/dbraw/zinc/34/08/11/558340811.db2.gz KNWMRGGCFHQSMD-JXMROGBWSA-N -1 0 402.233 5.604 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1Cl ZINC000020150977 558340799 /nfs/dbraw/zinc/34/07/99/558340799.db2.gz YTNNLOWOPWWCOK-JXMROGBWSA-N -1 0 402.233 5.604 40 0 HKABRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000020151062 558340828 /nfs/dbraw/zinc/34/08/28/558340828.db2.gz BKERQPLQMHAZFF-CSKARUKUSA-N -1 0 401.340 5.316 40 0 HKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020151068 558340836 /nfs/dbraw/zinc/34/08/36/558340836.db2.gz CJTRLJCVRPFOJN-CSKARUKUSA-N -1 0 415.367 5.624 40 0 HKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cccc1C(=O)[O-] ZINC000020151073 558340763 /nfs/dbraw/zinc/34/07/63/558340763.db2.gz ARIKVJLPUVZCPG-PKNBQFBNSA-N -1 0 415.367 5.624 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000020151074 558340834 /nfs/dbraw/zinc/34/08/34/558340834.db2.gz MXFNESZXNHPKIY-PKNBQFBNSA-N -1 0 401.340 5.316 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020151076 524191964 /nfs/dbraw/zinc/19/19/64/524191964.db2.gz GUUUIRNDEDQOBE-JXMROGBWSA-N -1 0 415.367 5.624 40 0 HKABRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000020151081 558340793 /nfs/dbraw/zinc/34/07/93/558340793.db2.gz YVKGDYRRNAAIEI-PKNBQFBNSA-N -1 0 415.367 5.244 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1O ZINC000020151083 558340766 /nfs/dbraw/zinc/34/07/66/558340766.db2.gz QQSBRAYKYWQTKP-RMKNXTFCSA-N -1 0 417.339 5.021 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1O ZINC000020151084 558340808 /nfs/dbraw/zinc/34/08/08/558340808.db2.gz KSZUWGIZNTYYHF-RMKNXTFCSA-N -1 0 417.339 5.021 40 0 HKABRM O=C([O-])c1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000020151101 558340747 /nfs/dbraw/zinc/34/07/47/558340747.db2.gz LAFAORRCOUXCFP-FNORWQNLSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020151107 526234366 /nfs/dbraw/zinc/23/43/66/526234366.db2.gz PFOPCVBRMVARBG-FNORWQNLSA-N -1 0 416.260 5.912 40 0 HKABRM Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1C(=O)[O-] ZINC000020151110 558340757 /nfs/dbraw/zinc/34/07/57/558340757.db2.gz RXSJAHMFKBYODK-SOFGYWHQSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020151111 558340787 /nfs/dbraw/zinc/34/07/87/558340787.db2.gz NVUCVGIZURWTPO-SOFGYWHQSA-N -1 0 402.233 5.604 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000020151112 558340771 /nfs/dbraw/zinc/34/07/71/558340771.db2.gz JNWOPJHPEKBMBV-QPJJXVBHSA-N -1 0 416.260 5.912 40 0 HKABRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020151116 526366459 /nfs/dbraw/zinc/36/64/59/526366459.db2.gz OTIBHMATBMNREX-SOFGYWHQSA-N -1 0 416.260 5.281 40 0 HKABRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000020151117 527637259 /nfs/dbraw/zinc/63/72/59/527637259.db2.gz ABCZNMWBUVMBAR-SOFGYWHQSA-N -1 0 416.260 5.532 40 0 HKABRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1O ZINC000020151118 558340803 /nfs/dbraw/zinc/34/08/03/558340803.db2.gz DBKUJYGXFNHBJI-ZZXKWVIFSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1O ZINC000020151119 558340813 /nfs/dbraw/zinc/34/08/13/558340813.db2.gz NZSYTAHWIZYYQF-ZZXKWVIFSA-N -1 0 418.232 5.309 40 0 HKABRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl ZINC000020429029 558362637 /nfs/dbraw/zinc/36/26/37/558362637.db2.gz HUJAHKCECDQEON-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000020436225 558363040 /nfs/dbraw/zinc/36/30/40/558363040.db2.gz MKIHVXIJMSPOFK-UHFFFAOYSA-N -1 0 410.640 5.857 40 0 HKABRM O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000020569558 568457183 /nfs/dbraw/zinc/45/71/83/568457183.db2.gz XVSRRHOOLDXTKR-UHFFFAOYSA-N -1 0 421.305 5.047 40 0 HKABRM Cc1cccc([C@@H]2CC(=O)c3c(C)nc([N-]c4nc(C)c5ccccc5n4)nc3C2)c1 ZINC000020634875 558395567 /nfs/dbraw/zinc/39/55/67/558395567.db2.gz DNZWCTAKLIYNPF-SFHVURJKSA-N -1 0 409.493 5.001 40 0 HKABRM Cc1cccc([C@H]2CC(=O)c3c(C)nc([N-]c4nc(C)c5ccccc5n4)nc3C2)c1 ZINC000020634876 558395628 /nfs/dbraw/zinc/39/56/28/558395628.db2.gz DNZWCTAKLIYNPF-GOSISDBHSA-N -1 0 409.493 5.001 40 0 HKABRM Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc([N-]c3nc(C)c4ccccc4n3)nc2C1 ZINC000020634884 558395678 /nfs/dbraw/zinc/39/56/78/558395678.db2.gz FHEJUJIEIRGYPS-KRWDZBQOSA-N -1 0 409.493 5.001 40 0 HKABRM Cc1ccccc1[C@H]1CC(=O)c2c(C)nc([N-]c3nc(C)c4ccccc4n3)nc2C1 ZINC000020634886 558395587 /nfs/dbraw/zinc/39/55/87/558395587.db2.gz FHEJUJIEIRGYPS-QGZVFWFLSA-N -1 0 409.493 5.001 40 0 HKABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)nc2ccccc12 ZINC000020634898 558395624 /nfs/dbraw/zinc/39/56/24/558395624.db2.gz VDQAKLPUQMPPEP-JXOMPUQVSA-N -1 0 421.504 5.239 40 0 HKABRM Cc1nc([N-]c2nc(C)c3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)nc2ccccc12 ZINC000020634901 558395615 /nfs/dbraw/zinc/39/56/15/558395615.db2.gz VDQAKLPUQMPPEP-HYSAVQALSA-N -1 0 421.504 5.239 40 0 HKABRM Cc1ccc2nc([N-]c3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000020798203 558414767 /nfs/dbraw/zinc/41/47/67/558414767.db2.gz VFMKJWLRMLVSNW-UHFFFAOYSA-N -1 0 401.417 5.528 40 0 HKABRM COc1ccc2nc([N-]c3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000020798207 558414763 /nfs/dbraw/zinc/41/47/63/558414763.db2.gz SQDKPAXMVJNFKN-UHFFFAOYSA-N -1 0 417.416 5.228 40 0 HKABRM Cc1cc(C)c2nc([N-]c3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 ZINC000020798211 558414784 /nfs/dbraw/zinc/41/47/84/558414784.db2.gz GZRHZDHMWBRFKK-UHFFFAOYSA-N -1 0 415.444 5.836 40 0 HKABRM Cc1ccccc1NC(=O)c1cnc([N-]c2nc(-c3ccccc3)cs2)nc1C ZINC000020799700 558415306 /nfs/dbraw/zinc/41/53/06/558415306.db2.gz BXHDROLHDMMWQE-UHFFFAOYSA-N -1 0 401.495 5.213 40 0 HKABRM Cc1nc([N-]c2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000020799704 558415288 /nfs/dbraw/zinc/41/52/88/558415288.db2.gz LUQQOCJLEBZKEB-UHFFFAOYSA-N -1 0 421.913 5.558 40 0 HKABRM COc1ccc(C(=O)[O-])cc1NCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000020880254 568647547 /nfs/dbraw/zinc/64/75/47/568647547.db2.gz RXYQUYHWUVWHNN-UHFFFAOYSA-N -1 0 413.473 5.738 40 0 HKABRM Cc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)[O-])s2)cc1Cl ZINC000021005990 558428986 /nfs/dbraw/zinc/42/89/86/558428986.db2.gz GKVUHZBXKSKLPJ-UHFFFAOYSA-N -1 0 400.931 6.266 40 0 HKABRM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2cc(OCc3ccccc3)ccc2oc1=O ZINC000022051434 558459848 /nfs/dbraw/zinc/45/98/48/558459848.db2.gz ZYPCRNWFEICXBH-NRFANRHFSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2cc(OCc3ccccc3)ccc2oc1=O ZINC000022051440 558459838 /nfs/dbraw/zinc/45/98/38/558459838.db2.gz ZYPCRNWFEICXBH-OAQYLSRUSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccc(OCc3ccccc3)cc2oc1=O ZINC000022051446 558459907 /nfs/dbraw/zinc/45/99/07/558459907.db2.gz VWMPIXQSCDHVKC-QFIPXVFZSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccc(OCc3ccccc3)cc2oc1=O ZINC000022051452 558459788 /nfs/dbraw/zinc/45/97/88/558459788.db2.gz VWMPIXQSCDHVKC-JOCHJYFZSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM CCCc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 ZINC000022255124 558474254 /nfs/dbraw/zinc/47/42/54/558474254.db2.gz VVPCOLDYODIYQQ-UHFFFAOYSA-N -1 0 401.340 5.356 40 0 HKABRM CCCc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OCC)cc2s1 ZINC000022255187 558474232 /nfs/dbraw/zinc/47/42/32/558474232.db2.gz JEEYXONCXAAQRT-UHFFFAOYSA-N -1 0 410.948 5.102 40 0 HKABRM CCCc1nc2ccc([N-]S(=O)(=O)c3cc(C(C)C)ccc3OC)cc2s1 ZINC000022255220 558474203 /nfs/dbraw/zinc/47/42/03/558474203.db2.gz DOYYCOKJCQZZPU-UHFFFAOYSA-N -1 0 404.557 5.182 40 0 HKABRM CCCOP(=O)(OCCC)[C@@H]([N-]C(=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000026779851 568831140 /nfs/dbraw/zinc/83/11/40/568831140.db2.gz FKQIKVGJIUVMRG-CYBMUJFWSA-N -1 0 416.669 5.218 40 0 HKABRM CCCOP(=O)(OCCC)[C@H]([N-]C(=O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000026779852 568831352 /nfs/dbraw/zinc/83/13/52/568831352.db2.gz FKQIKVGJIUVMRG-ZDUSSCGKSA-N -1 0 416.669 5.218 40 0 HKABRM S=C([N-]c1cn(-c2ccccc2)nc1-c1ccccc1)OCc1ccccc1Cl ZINC000026780070 568831318 /nfs/dbraw/zinc/83/13/18/568831318.db2.gz RKFSMCMBLMZRAS-UHFFFAOYSA-N -1 0 419.937 6.106 40 0 HKABRM N=C1c2c(nc(-c3ccccc3)cc2-c2ccccc2)S[C@@]1(C(=O)[O-])c1ccccc1 ZINC000028615347 558702344 /nfs/dbraw/zinc/70/23/44/558702344.db2.gz SPOQLIWPWZDVMJ-SANMLTNESA-N -1 0 422.509 5.869 40 0 HKABRM CC(C)C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000030756170 558737166 /nfs/dbraw/zinc/73/71/66/558737166.db2.gz MNASHNCXEZRMOX-HSZRJFAPSA-N -1 0 422.550 5.005 40 0 HKABRM CC(C)C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000030756174 558737125 /nfs/dbraw/zinc/73/71/25/558737125.db2.gz MNASHNCXEZRMOX-QHCPKHFHSA-N -1 0 422.550 5.005 40 0 HKABRM CC(C)=CCC/C(=C/CC/C(C)=C/CC/C(=C/COC(C)=O)COC(C)=O)C(=O)[O-] ZINC000031158560 291283400 /nfs/dbraw/zinc/28/34/00/291283400.db2.gz HIKQPXPTFKUOGM-POVULIOGSA-N -1 0 420.546 5.303 40 0 biogenic,in-vitro HKABRM C/C=C(/C)c1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)[O-])c(/C(C)=C\C)c1O2 ZINC000031164248 291281039 /nfs/dbraw/zinc/28/10/39/291281039.db2.gz AQEVIPMAHKXMTE-DEFDFUCDSA-N -1 0 424.449 5.584 40 0 biogenic,in-vitro HKABRM CC(C)=CCc1cc2c(=O)c(-c3ccc(O)cc3O)coc2c(CC=C(C)C)c1[O-] ZINC000031167746 291287593 /nfs/dbraw/zinc/28/75/93/291287593.db2.gz DPJZYONMQLGZJE-UHFFFAOYSA-N -1 0 406.478 5.594 40 0 biogenic,in-vitro HKABRM Cc1c(C=C2NC(=O)[N-]C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000032115631 525519797 /nfs/dbraw/zinc/51/97/97/525519797.db2.gz XJEWHRNGZGPSQV-RQZCQDPDSA-N -1 0 400.265 5.325 40 0 HKABRM CC(C)c1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000032116364 519835370 /nfs/dbraw/zinc/83/53/70/519835370.db2.gz UYPBJXHTLNJFHS-UHFFFAOYSA-N -1 0 413.109 5.293 40 0 HKABRM Cc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)c(Cl)c1 ZINC000032116374 526217733 /nfs/dbraw/zinc/21/77/33/526217733.db2.gz JDZVGGGBVHWSBS-UHFFFAOYSA-N -1 0 419.500 5.131 40 0 HKABRM Cc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1Cl ZINC000032116440 526218582 /nfs/dbraw/zinc/21/85/82/526218582.db2.gz AMXPVEJAZJLADW-UHFFFAOYSA-N -1 0 419.500 5.131 40 0 HKABRM Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1 ZINC000032116449 526224177 /nfs/dbraw/zinc/22/41/77/526224177.db2.gz SRUWGHSUMGGDNL-UHFFFAOYSA-N -1 0 423.266 5.524 40 0 HKABRM O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccs1 ZINC000032116625 527304695 /nfs/dbraw/zinc/30/46/95/527304695.db2.gz DKZTVUKXISPNBJ-UHFFFAOYSA-N -1 0 415.268 5.277 40 0 HKABRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cccc2ccccc21 ZINC000032116755 527101483 /nfs/dbraw/zinc/10/14/83/527101483.db2.gz CYGAXAFGMOWRHA-UHFFFAOYSA-N -1 0 421.088 5.323 40 0 HKABRM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000032118997 527460054 /nfs/dbraw/zinc/46/00/54/527460054.db2.gz OWXQIRSWYADAJD-UHFFFAOYSA-N -1 0 410.109 5.133 40 0 HKABRM Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000032132908 569350427 /nfs/dbraw/zinc/35/04/27/569350427.db2.gz DKOXAZTZHHSMGP-JBXUNAHCSA-N -1 0 411.501 5.388 40 0 HKABRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000033590810 569350669 /nfs/dbraw/zinc/35/06/69/569350669.db2.gz GXPQIVGXKJFSKU-CPNJWEJPSA-N -1 0 417.440 5.048 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)cc1 ZINC000033595987 569350658 /nfs/dbraw/zinc/35/06/58/569350658.db2.gz CWFLXBPBXDQZOS-ZHZULCJRSA-N -1 0 416.502 5.082 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1 ZINC000033626560 569350758 /nfs/dbraw/zinc/35/07/58/569350758.db2.gz JATQKLGCYUVKNR-OQLLNIDSSA-N -1 0 405.306 5.227 40 0 HKABRM CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 ZINC000033649686 569350814 /nfs/dbraw/zinc/35/08/14/569350814.db2.gz ONRSIJHWTIUKIX-VOTSOKGWSA-N -1 0 411.679 5.178 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000033667481 569350953 /nfs/dbraw/zinc/35/09/53/569350953.db2.gz VMVQQGKXEQBAPI-DEDYPNTBSA-N -1 0 417.534 5.456 40 0 HKABRM CC[C@@H](C)Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000033694424 569350987 /nfs/dbraw/zinc/35/09/87/569350987.db2.gz NYKIWCYKNZXOJP-OOWUWCJESA-N -1 0 418.449 5.112 40 0 HKABRM O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000033699293 569351012 /nfs/dbraw/zinc/35/10/12/569351012.db2.gz TVCMCBIMYFVTLZ-UHFFFAOYSA-N -1 0 421.305 5.047 40 0 HKABRM CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000033701314 568697603 /nfs/dbraw/zinc/69/76/03/568697603.db2.gz QRFJAYNZZJELSU-YBEGLDIGSA-N -1 0 405.928 5.647 40 0 HKABRM O=C1NC(=S)SC1=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000033702512 568697567 /nfs/dbraw/zinc/69/75/67/568697567.db2.gz HUAMPSOSNWEVFQ-DHDCSXOGSA-N -1 0 406.326 5.357 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000033710198 569351094 /nfs/dbraw/zinc/35/10/94/569351094.db2.gz GOURFBUUKBYXBS-XMHGGMMESA-N -1 0 402.475 5.181 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)CC)cc3)C(=O)[N-]C2=S)cc1 ZINC000033719909 569351118 /nfs/dbraw/zinc/35/11/18/569351118.db2.gz IIKNRAHYCOEQPE-AUQXIXNCSA-N -1 0 408.523 5.098 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)CC)cc3)C(=O)[N-]C2=S)cc1 ZINC000033719911 569351159 /nfs/dbraw/zinc/35/11/59/569351159.db2.gz IIKNRAHYCOEQPE-NPQOUYBPSA-N -1 0 408.523 5.098 40 0 HKABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c1 ZINC000033731809 569351217 /nfs/dbraw/zinc/35/12/17/569351217.db2.gz XRIRODXUBUYMJS-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1 ZINC000033737300 569351214 /nfs/dbraw/zinc/35/12/14/569351214.db2.gz AYOHIRHCYCDASQ-UHFFFAOYSA-N -1 0 404.293 5.558 40 0 HKABRM Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000033737512 569351232 /nfs/dbraw/zinc/35/12/32/569351232.db2.gz USQIABUCFGXDGN-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 ZINC000033773862 569351346 /nfs/dbraw/zinc/35/13/46/569351346.db2.gz OCSZKSFIBPINCF-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3ccc(OC)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000033780322 569351331 /nfs/dbraw/zinc/35/13/31/569351331.db2.gz ZCCNYDIIJUZPKZ-XSFVSMFZSA-N -1 0 416.502 5.082 40 0 HKABRM Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000033803827 569351368 /nfs/dbraw/zinc/35/13/68/569351368.db2.gz KCUZOJBKAHLTFK-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM C=CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)c2ccccc21 ZINC000033828580 569351443 /nfs/dbraw/zinc/35/14/43/569351443.db2.gz MOEPQRALOFOIPV-XSFVSMFZSA-N -1 0 415.518 5.061 40 0 HKABRM CCc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C)c3)C(=O)[N-]C2=S)cc1 ZINC000033915582 569351541 /nfs/dbraw/zinc/35/15/41/569351541.db2.gz KJIGOYDMWKVFQS-RCCKNPSSSA-N -1 0 415.518 5.020 40 0 HKABRM CC(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)/C=C\[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000033953363 571316276 /nfs/dbraw/zinc/31/62/76/571316276.db2.gz SETVRSKZJJWOPA-NWBYYMLRSA-N -1 0 404.934 5.559 40 0 HKABRM C/C(=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O)CC/C=C(\C)[C@H]1CC(=O)C(C)(C)O1 ZINC000033955016 291281024 /nfs/dbraw/zinc/28/10/24/291281024.db2.gz VGYPZLGWVQQOST-LWTYEDPSSA-N -1 0 420.933 5.224 40 0 biogenic,in-vitro HKABRM O=C([O-])c1ccccc1C1c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21 ZINC000034328166 559290458 /nfs/dbraw/zinc/29/04/58/559290458.db2.gz XDFNWJDGWJVGGN-UHFFFAOYSA-N -1 0 403.217 5.389 40 0 HKABRM O=C([O-])[C@H](C/C=C\c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000034856841 558785284 /nfs/dbraw/zinc/78/52/84/558785284.db2.gz ZFMHHKMOLFNMMV-KVOGHMLTSA-N -1 0 413.473 5.082 40 0 HKABRM O=C([O-])[C@@H](C/C=C\c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000034856842 558785235 /nfs/dbraw/zinc/78/52/35/558785235.db2.gz ZFMHHKMOLFNMMV-CNGNEYMMSA-N -1 0 413.473 5.082 40 0 HKABRM O=C(NC(=S)Nc1ccccc1[S-])c1sc2cc(Cl)ccc2c1Cl ZINC000035168295 569351664 /nfs/dbraw/zinc/35/16/64/569351664.db2.gz MITXGMQCGZEDNO-UHFFFAOYSA-N -1 0 413.376 5.624 40 0 HKABRM O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000035339471 569351692 /nfs/dbraw/zinc/35/16/92/569351692.db2.gz HSGMHJVZAWQQHT-UHFFFAOYSA-N -1 0 421.305 5.047 40 0 HKABRM COc1c(CC=C(C)C)c(O)c(C(=O)[O-])c(CCc2ccccc2)c1CC=C(C)C ZINC000035465956 560081471 /nfs/dbraw/zinc/08/14/71/560081471.db2.gz KTBAIBUBSGVINZ-UHFFFAOYSA-N -1 0 408.538 5.902 40 0 biogenic,in-vitro HKABRM CCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCC ZINC000035585987 558793646 /nfs/dbraw/zinc/79/36/46/558793646.db2.gz AHHOCUSSCMPEBM-UHFFFAOYSA-N -1 0 404.503 5.015 40 0 HKABRM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000038138640 558810772 /nfs/dbraw/zinc/81/07/72/558810772.db2.gz ACZYWQWUZBYEPB-NRJXTPLFSA-N -1 0 417.549 5.270 40 0 HKABRM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000038138641 558810837 /nfs/dbraw/zinc/81/08/37/558810837.db2.gz ACZYWQWUZBYEPB-JDGTWANASA-N -1 0 417.549 5.270 40 0 HKABRM C[C@@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000038138642 558810753 /nfs/dbraw/zinc/81/07/53/558810753.db2.gz ACZYWQWUZBYEPB-GLTOCJCTSA-N -1 0 417.549 5.270 40 0 HKABRM C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)[O-] ZINC000038138643 558810813 /nfs/dbraw/zinc/81/08/13/558810813.db2.gz ACZYWQWUZBYEPB-QGPYNHGBSA-N -1 0 417.549 5.270 40 0 HKABRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000038246250 558640425 /nfs/dbraw/zinc/64/04/25/558640425.db2.gz JBALICPRCDQXRA-WBNKZLQISA-N -1 0 416.602 5.998 40 0 HKABRM CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)[O-])cc3)cc21 ZINC000038467831 571317584 /nfs/dbraw/zinc/31/75/84/571317584.db2.gz YTFHCXIPDIHOIA-DHZHZOJOSA-N -1 0 414.549 6.149 40 0 investigational HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000038867910 558665668 /nfs/dbraw/zinc/66/56/68/558665668.db2.gz CGHGJNRXRSZLJH-LBGFUSKISA-N -1 0 414.674 7.729 40 0 HKABRM CC(C)(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000041105657 519014122 /nfs/dbraw/zinc/01/41/22/519014122.db2.gz LICFVCDHSDWBPK-UHFFFAOYSA-N -1 0 402.741 5.201 40 0 HKABRM O=C([O-])Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 ZINC000041127410 527639628 /nfs/dbraw/zinc/63/96/28/527639628.db2.gz CIJMXLXIFBHTGS-UHFFFAOYSA-N -1 0 408.251 5.551 40 0 HKABRM O=C([O-])Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000041127416 527638644 /nfs/dbraw/zinc/63/86/44/527638644.db2.gz BQZNAQZQEFUIHN-UHFFFAOYSA-N -1 0 408.251 5.551 40 0 HKABRM O=C([O-])Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 ZINC000041127444 527637482 /nfs/dbraw/zinc/63/74/82/527637482.db2.gz LELKSRWGRIUKRE-UHFFFAOYSA-N -1 0 408.251 5.551 40 0 HKABRM O=C([O-])c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c1cccc2C(F)(F)F ZINC000043197607 558832191 /nfs/dbraw/zinc/83/21/91/558832191.db2.gz RACDNEQBIMTJPQ-UHFFFAOYSA-N -1 0 407.775 5.391 40 0 HKABRM CCC(CC)(CC(=O)Nc1cccc(/C=C\c2nc(C3CCC3)cs2)c1)C(=O)[O-] ZINC000043769750 521387660 /nfs/dbraw/zinc/38/76/60/521387660.db2.gz BZMKNPGKXJAIDV-QXMHVHEDSA-N -1 0 412.555 5.801 40 0 HKABRM O=C([O-])c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000044199263 526342196 /nfs/dbraw/zinc/34/21/96/526342196.db2.gz UFQKQGHDNJPDNX-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000044199279 522165716 /nfs/dbraw/zinc/16/57/16/522165716.db2.gz MKBFFEOIIRMLOB-UHFFFAOYSA-N -1 0 406.059 5.042 40 0 HKABRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000044850275 527256046 /nfs/dbraw/zinc/25/60/46/527256046.db2.gz ZFUOZVBWDSTZJG-UHFFFAOYSA-N -1 0 417.486 6.072 40 0 HKABRM Cc1cc(-c2oc(/C=C/C(=O)[O-])cc2Br)cc(C)c1Br ZINC000045888718 526067737 /nfs/dbraw/zinc/06/77/37/526067737.db2.gz DQRBMBIPCVPZAS-ONEGZZNKSA-N -1 0 400.066 5.186 40 0 HKABRM Cc1cc(-c2oc(/C=C/C(=O)[O-])cc2Br)c(C)cc1Br ZINC000045957921 526067324 /nfs/dbraw/zinc/06/73/24/526067324.db2.gz OWAOWHPUDKCJKS-ONEGZZNKSA-N -1 0 400.066 5.186 40 0 HKABRM O=C([O-])/C(=C/c1ccc(OCc2ccccc2)cc1)Sc1nc2ccccc2[nH]1 ZINC000050547749 569352196 /nfs/dbraw/zinc/35/21/96/569352196.db2.gz AQOPBDSPFZQCJC-STZFKDTASA-N -1 0 402.475 5.360 40 0 HKABRM O=C([O-])/C(=C/c1cccc(OCc2ccccc2)c1)Sc1nc2ccccc2[nH]1 ZINC000050547752 569352229 /nfs/dbraw/zinc/35/22/29/569352229.db2.gz QWCOBSJITKTXOY-STZFKDTASA-N -1 0 402.475 5.360 40 0 HKABRM O=C([O-])/C(=C/c1ccccc1OCc1ccccc1)Sc1nc2ccccc2[nH]1 ZINC000050547755 569352237 /nfs/dbraw/zinc/35/22/37/569352237.db2.gz MFQPRZXYAYRXJJ-STZFKDTASA-N -1 0 402.475 5.360 40 0 HKABRM CC(C)(C)c1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(C(C)(C)C)c1O ZINC000050547892 569352205 /nfs/dbraw/zinc/35/22/05/569352205.db2.gz CKVHQJMUDZSEAK-UYRXBGFRSA-N -1 0 424.566 6.081 40 0 HKABRM Cc1ccc(Sc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)cc1 ZINC000050547903 569352225 /nfs/dbraw/zinc/35/22/25/569352225.db2.gz UQWSXZPYPWAFES-PDGQHHTCSA-N -1 0 408.504 5.833 40 0 HKABRM Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])cc2)cc1 ZINC000050547905 569352218 /nfs/dbraw/zinc/35/22/18/569352218.db2.gz AXDMHNAMMGZSMJ-HMAPJEAMSA-N -1 0 416.502 5.668 40 0 HKABRM COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Cl)c1OC(C)C ZINC000050547987 569352208 /nfs/dbraw/zinc/35/22/08/569352208.db2.gz OSNSKWOAVRRIEQ-YVLHZVERSA-N -1 0 418.902 5.230 40 0 HKABRM CC(=O)c1ccc(-c2ccc(C=C(Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)cc1 ZINC000050548009 569352204 /nfs/dbraw/zinc/35/22/04/569352204.db2.gz QJAMPEGKPARION-NDENLUEZSA-N -1 0 404.447 5.243 40 0 HKABRM Cc1ccc(Cl)cc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])o1 ZINC000051125227 569352213 /nfs/dbraw/zinc/35/22/13/569352213.db2.gz MNIWMRCWECXAQA-ODLFYWEKSA-N -1 0 410.882 6.003 40 0 HKABRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 ZINC000054363524 558868077 /nfs/dbraw/zinc/86/80/77/558868077.db2.gz RJVXQCGFKWOENH-UHFFFAOYSA-N -1 0 409.132 5.174 40 0 HKABRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000054363525 558868016 /nfs/dbraw/zinc/86/80/16/558868016.db2.gz GYFCGFHQEZXOSM-UHFFFAOYSA-N -1 0 423.159 5.428 40 0 HKABRM Clc1ccc2sc([N-]c3nc4cc(-c5ccccc5)ccc4o3)nc2c1Cl ZINC000057352964 569063705 /nfs/dbraw/zinc/06/37/05/569063705.db2.gz OCKPWEHEBUUUEY-UHFFFAOYSA-N -1 0 412.301 7.155 40 0 HKABRM Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)[O-])c1 ZINC000059386313 568705429 /nfs/dbraw/zinc/70/54/29/568705429.db2.gz DKOXAZTZHHSMGP-LIONHTAISA-N -1 0 411.501 5.388 40 0 HKABRM CCCCCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1 ZINC000059417535 568705740 /nfs/dbraw/zinc/70/57/40/568705740.db2.gz QNRUBIMLWWEIRW-UHFFFAOYSA-N -1 0 414.552 5.919 40 0 HKABRM O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 ZINC000059417537 568705751 /nfs/dbraw/zinc/70/57/51/568705751.db2.gz AGVOLOARHAYWSS-UHFFFAOYSA-N -1 0 420.515 5.539 40 0 HKABRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCS(=O)(=O)[O-] ZINC000059725632 558938509 /nfs/dbraw/zinc/93/85/09/558938509.db2.gz YUNYSWCRLRYOPO-DOFZRALJSA-N -1 0 411.608 5.136 40 0 in-vitro HKABRM CC(C)=CCc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c2c1OC(C)(C)C=C2 ZINC000059735702 574415342 /nfs/dbraw/zinc/41/53/42/574415342.db2.gz DBUNRZUFILGKHP-UHFFFAOYSA-N -1 0 420.461 5.270 40 0 endogenous,in-man HKABRM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2cccc(OCc3ccccc3)c2oc1=O ZINC000065734766 568940049 /nfs/dbraw/zinc/94/00/49/568940049.db2.gz VSDJTMWCGIUVGS-NRFANRHFSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2cccc(OCc3ccccc3)c2oc1=O ZINC000065734769 568939995 /nfs/dbraw/zinc/93/99/95/568939995.db2.gz VSDJTMWCGIUVGS-OAQYLSRUSA-N -1 0 414.457 5.189 40 0 in-vitro HKABRM Cc1[nH]c(-c2ccccc2)c([C@@H](C)SCc2c(Cl)cccc2Cl)c1C(=O)[O-] ZINC000071614055 558905874 /nfs/dbraw/zinc/90/58/74/558905874.db2.gz QMCDCGYGGAGEAH-CYBMUJFWSA-N -1 0 420.361 6.990 40 0 HKABRM Cc1[nH]c(-c2ccccc2)c([C@H](C)SCc2c(Cl)cccc2Cl)c1C(=O)[O-] ZINC000071614058 558905950 /nfs/dbraw/zinc/90/59/50/558905950.db2.gz QMCDCGYGGAGEAH-ZDUSSCGKSA-N -1 0 420.361 6.990 40 0 HKABRM CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980476 558917174 /nfs/dbraw/zinc/91/71/74/558917174.db2.gz PGODKOUPHFLYJO-HCYSDIRSSA-N -1 0 421.537 5.212 40 0 HKABRM CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980477 558917171 /nfs/dbraw/zinc/91/71/71/558917171.db2.gz PGODKOUPHFLYJO-GUXMJAIHSA-N -1 0 421.537 5.212 40 0 HKABRM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(C)C)ccc3OCC)sc2c1 ZINC000072414480 558977890 /nfs/dbraw/zinc/97/78/90/558977890.db2.gz YJECXYUFPMCWMR-UHFFFAOYSA-N -1 0 420.556 5.018 40 0 HKABRM Clc1ccc2nc([N-]c3nccc(-c4ccccc4)n3)nc(-c3ccccc3)c2c1 ZINC000072467818 558983295 /nfs/dbraw/zinc/98/32/95/558983295.db2.gz RWIJSSNRUAHEFA-UHFFFAOYSA-N -1 0 409.880 6.151 40 0 HKABRM O=C([O-])/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 ZINC000073638303 558849670 /nfs/dbraw/zinc/84/96/70/558849670.db2.gz LJYBOFFEZUUIHF-DUXPYHPUSA-N -1 0 406.457 5.223 40 0 HKABRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000078401760 559012324 /nfs/dbraw/zinc/01/23/24/559012324.db2.gz JILNHYUXZTVZEF-UHFFFAOYSA-N -1 0 404.853 6.431 40 0 HKABRM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000078401762 559012333 /nfs/dbraw/zinc/01/23/33/559012333.db2.gz DWLUPOXPAXKEOK-UHFFFAOYSA-N -1 0 404.853 6.431 40 0 HKABRM Cc1cc(Nc2ccccc2C(=O)[O-])c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000078401765 559012336 /nfs/dbraw/zinc/01/23/36/559012336.db2.gz PBNGEDBDBCAMMM-UHFFFAOYSA-N -1 0 404.853 6.431 40 0 HKABRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)ccc2N1 ZINC000078404116 559012337 /nfs/dbraw/zinc/01/23/37/559012337.db2.gz JKPNXOAHTIMPQK-CQSZACIVSA-N -1 0 414.914 5.290 40 0 HKABRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)ccc2N1 ZINC000078404118 559012315 /nfs/dbraw/zinc/01/23/15/559012315.db2.gz JKPNXOAHTIMPQK-AWEZNQCLSA-N -1 0 414.914 5.290 40 0 HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079133769 558824381 /nfs/dbraw/zinc/82/43/81/558824381.db2.gz HPFCPAKTUUKKCP-AYPRRHFASA-N -1 0 416.690 7.809 40 0 HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079133773 558824402 /nfs/dbraw/zinc/82/44/02/558824402.db2.gz HPFCPAKTUUKKCP-SYHOPTGNSA-N -1 0 416.690 7.809 40 0 HKABRM O=C([O-])CCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000082101572 559038114 /nfs/dbraw/zinc/03/81/14/559038114.db2.gz VRQUPGNWTJGCBX-UHFFFAOYSA-N -1 0 409.526 5.731 40 0 HKABRM COc1cccc(-n2nc(C(=O)[O-])cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1 ZINC000084711296 559162160 /nfs/dbraw/zinc/16/21/60/559162160.db2.gz BNALUYKEGYUHQC-UHFFFAOYSA-N -1 0 410.901 5.947 40 0 in-vitro HKABRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C ZINC000085341236 291287917 /nfs/dbraw/zinc/28/79/17/291287917.db2.gz CGYXDTVDPDQBGI-AZLQKVRJSA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C ZINC000085341240 291288108 /nfs/dbraw/zinc/28/81/08/291288108.db2.gz CGYXDTVDPDQBGI-OUVATWEPSA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C ZINC000085341241 291287913 /nfs/dbraw/zinc/28/79/13/291287913.db2.gz CGYXDTVDPDQBGI-VUMWNPMISA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C ZINC000085341245 291288067 /nfs/dbraw/zinc/28/80/67/291288067.db2.gz CGYXDTVDPDQBGI-IVSNMVJQSA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM O=C([O-])c1cc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000085386250 559171385 /nfs/dbraw/zinc/17/13/85/559171385.db2.gz JEBAHQKZDAEIPV-UHFFFAOYSA-N -1 0 405.251 5.425 40 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CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100071444 559129587 /nfs/dbraw/zinc/12/95/87/559129587.db2.gz KFUZESGCCHYEBB-UHFFFAOYSA-N -1 0 409.942 5.506 40 0 HKABRM CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1cccc(Cl)c1 ZINC000100071925 559129516 /nfs/dbraw/zinc/12/95/16/559129516.db2.gz UVJXVFLNYGEFOY-UHFFFAOYSA-N -1 0 409.942 5.506 40 0 HKABRM Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Sc2ccccc2)c2ccccc2)c1=O ZINC000100362336 559134423 /nfs/dbraw/zinc/13/44/23/559134423.db2.gz PJVUBIULUDDBIY-QFIPXVFZSA-N -1 0 415.514 5.351 40 0 HKABRM Cn1c2ccccc2c([O-])c(C(=O)C[C@@H](Sc2ccccc2)c2ccccc2)c1=O ZINC000100362339 559134419 /nfs/dbraw/zinc/13/44/19/559134419.db2.gz PJVUBIULUDDBIY-JOCHJYFZSA-N -1 0 415.514 5.351 40 0 HKABRM C/C=C/c1cc(-c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)nn1-c1ccccc1 ZINC000101628090 569014584 /nfs/dbraw/zinc/01/45/84/569014584.db2.gz CGVXNSXSFSUCHB-BIIKFXOESA-N -1 0 419.484 5.582 40 0 HKABRM COc1cc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000101997505 559148840 /nfs/dbraw/zinc/14/88/40/559148840.db2.gz MWCFKMDOPSZIPZ-OSFYCCLMSA-N -1 0 422.521 5.508 40 0 HKABRM COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000101997508 559148827 /nfs/dbraw/zinc/14/88/27/559148827.db2.gz MWCFKMDOPSZIPZ-CUZOOKDNSA-N -1 0 422.521 5.508 40 0 HKABRM O=C(C=C([O-])c1ccc2ccccc2c1)CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000102964221 559153919 /nfs/dbraw/zinc/15/39/19/559153919.db2.gz PVFGIKZMXSWZHW-UHFFFAOYSA-N -1 0 414.288 5.707 40 0 HKABRM COc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC000103298793 559155300 /nfs/dbraw/zinc/15/53/00/559155300.db2.gz XFRWPZRUZZWBDZ-UHFFFAOYSA-N -1 0 416.452 5.040 40 0 HKABRM CCOc1ccccc1-c1cc(-c2ccc(C(=O)[O-])cc2)nn1CCc1ccccc1 ZINC000103298858 559155364 /nfs/dbraw/zinc/15/53/64/559155364.db2.gz PMMALUWPRKOYIS-UHFFFAOYSA-N -1 0 412.489 5.557 40 0 HKABRM C=Cc1cc(-c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)nn1-c1ccccc1 ZINC000103565437 569048843 /nfs/dbraw/zinc/04/88/43/569048843.db2.gz AKWFPSGNOQHCEE-UHFFFAOYSA-N -1 0 405.457 5.192 40 0 HKABRM CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-] ZINC000103674827 571314320 /nfs/dbraw/zinc/31/43/20/571314320.db2.gz RMLKCUDDJZHVOL-GHVJWSGMSA-N -1 0 424.666 7.992 40 0 HKABRM CC1=C(/C=C\C2=C/C(=C\C(=O)[O-])C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000104278912 559159732 /nfs/dbraw/zinc/15/97/32/559159732.db2.gz OSJIOOWZMIEHAZ-GYUPKRNFSA-N -1 0 408.626 7.943 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104389988 569352600 /nfs/dbraw/zinc/35/26/00/569352600.db2.gz TUSXZTCDJYJYBO-BVYCBKJFSA-N -1 0 420.852 5.417 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104389993 569352615 /nfs/dbraw/zinc/35/26/15/569352615.db2.gz TUSXZTCDJYJYBO-YUXAGFNASA-N -1 0 420.852 5.417 40 0 HKABRM Cn1c(=O)c(C2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2)c([O-])c2ccccc21 ZINC000104827554 559161684 /nfs/dbraw/zinc/16/16/84/559161684.db2.gz LQYXHQCHMLXYFS-CLHDZIPGSA-N -1 0 421.500 5.263 40 0 HKABRM Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2)c([O-])c2ccccc21 ZINC000104827558 559161694 /nfs/dbraw/zinc/16/16/94/559161694.db2.gz LQYXHQCHMLXYFS-VVLLFNJHSA-N -1 0 421.500 5.263 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000106681087 560745132 /nfs/dbraw/zinc/74/51/32/560745132.db2.gz FIHZJLYKNXQFGH-NDENLUEZSA-N -1 0 419.458 5.190 40 0 HKABRM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccccc1Cl ZINC000106684082 560745235 /nfs/dbraw/zinc/74/52/35/560745235.db2.gz VNADRQSCRPYCPL-AUWJEWJLSA-N -1 0 414.697 5.589 40 0 HKABRM O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686670 560745243 /nfs/dbraw/zinc/74/52/43/560745243.db2.gz VKBUKXWOAVFIMP-AUWJEWJLSA-N -1 0 414.697 5.589 40 0 HKABRM O=C1S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000106688446 560745369 /nfs/dbraw/zinc/74/53/69/560745369.db2.gz HROLMHKRCWAMSI-NSIKDUERSA-N -1 0 414.697 5.589 40 0 HKABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000106691079 560745396 /nfs/dbraw/zinc/74/53/96/560745396.db2.gz BNEBUCYZNSFIGY-ODLFYWEKSA-N -1 0 423.421 5.020 40 0 HKABRM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000106696279 560744310 /nfs/dbraw/zinc/74/43/10/560744310.db2.gz DRIRPYAJPBFUFW-ODLFYWEKSA-N -1 0 423.421 5.020 40 0 HKABRM Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1 ZINC000106702631 560745559 /nfs/dbraw/zinc/74/55/59/560745559.db2.gz UQLYPBVYGNCXQL-NDENLUEZSA-N -1 0 419.458 5.190 40 0 HKABRM Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)c1 ZINC000106708297 560745667 /nfs/dbraw/zinc/74/56/67/560745667.db2.gz SLBXOXDONKHIAS-NDENLUEZSA-N -1 0 419.458 5.190 40 0 HKABRM Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1 ZINC000106781759 560746280 /nfs/dbraw/zinc/74/62/80/560746280.db2.gz ULYCLFDDLMZRBX-SXGWCWSVSA-N -1 0 424.305 5.123 40 0 HKABRM Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000106783406 560746240 /nfs/dbraw/zinc/74/62/40/560746240.db2.gz ZEJLHCOFULRNSE-YBEGLDIGSA-N -1 0 424.305 5.123 40 0 HKABRM Cc1cc(C)c(OCCn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c(C)c1 ZINC000107608948 569352755 /nfs/dbraw/zinc/35/27/55/569352755.db2.gz JOMWXRNCFPHCGD-UHFFFAOYSA-N -1 0 411.929 5.830 40 0 HKABRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1C ZINC000107609159 569352753 /nfs/dbraw/zinc/35/27/53/569352753.db2.gz OCRSMYUBJCYDLO-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CCOc1ccccc1Cl ZINC000107620743 569352769 /nfs/dbraw/zinc/35/27/69/569352769.db2.gz USIHNVOZSHZUNM-UHFFFAOYSA-N -1 0 404.293 5.558 40 0 HKABRM Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000107664708 569352800 /nfs/dbraw/zinc/35/28/00/569352800.db2.gz MRHCQOORDPZIGU-UHFFFAOYSA-N -1 0 405.538 5.857 40 0 HKABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2c(C)cc(C)cc2C)cc1 ZINC000107750441 569352896 /nfs/dbraw/zinc/35/28/96/569352896.db2.gz VDXSKMLRLLGGGQ-UHFFFAOYSA-N -1 0 407.510 5.185 40 0 HKABRM COc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2cc(C)ccc2C(C)C)cc1 ZINC000107809220 569352998 /nfs/dbraw/zinc/35/29/98/569352998.db2.gz FALDYZIMOXVOME-UHFFFAOYSA-N -1 0 421.537 5.692 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1Cl ZINC000108172643 569353489 /nfs/dbraw/zinc/35/34/89/569353489.db2.gz JPAXBBHTLLDBKF-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C(=O)[O-] ZINC000116383040 569353890 /nfs/dbraw/zinc/35/38/90/569353890.db2.gz RCOKTPHMJJQWAQ-NSHDSACASA-N -1 0 419.321 5.476 40 0 HKABRM CC(C)CCC[C@H](C(=O)[O-])C1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914803 559205271 /nfs/dbraw/zinc/20/52/71/559205271.db2.gz LDPPQIQFKNQQLH-WTLOQJHSSA-N -1 0 416.646 6.453 40 0 HKABRM CC(C)CCC[C@@H](C(=O)[O-])C1=CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914804 559205302 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CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)[O-])cc4)o3)N21 ZINC000222713051 568524468 /nfs/dbraw/zinc/52/44/68/568524468.db2.gz VPQWQLNJPNQOEF-ORYQWCPZSA-N -1 0 419.506 5.019 40 0 HKABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)[O-])cc4)o3)N21 ZINC000222713105 568524437 /nfs/dbraw/zinc/52/44/37/568524437.db2.gz VPQWQLNJPNQOEF-MAODMQOUSA-N -1 0 419.506 5.019 40 0 HKABRM CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)[O-])cc4)o3)N21 ZINC000222713171 568524512 /nfs/dbraw/zinc/52/45/12/568524512.db2.gz VPQWQLNJPNQOEF-ZLGUVYLKSA-N -1 0 419.506 5.019 40 0 HKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000223436704 568548978 /nfs/dbraw/zinc/54/89/78/568548978.db2.gz OKXRGIRZKCUWMP-UHFFFAOYSA-N -1 0 416.273 5.535 40 0 HKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000223439262 568548937 /nfs/dbraw/zinc/54/89/37/568548937.db2.gz YSLVJCZFCBOVRF-UHFFFAOYSA-N -1 0 421.996 6.014 40 0 HKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000223439761 568548959 /nfs/dbraw/zinc/54/89/59/568548959.db2.gz KKFKRYRIUXEIJX-UHFFFAOYSA-N -1 0 405.928 5.655 40 0 HKABRM CSc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000223439835 568548969 /nfs/dbraw/zinc/54/89/69/568548969.db2.gz AWMKJNXIPQBSMJ-UHFFFAOYSA-N -1 0 416.273 5.535 40 0 HKABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1)CCCC2 ZINC000223626208 568553889 /nfs/dbraw/zinc/55/38/89/568553889.db2.gz DTUULAMUVASPFM-UHFFFAOYSA-N -1 0 409.507 5.167 40 0 HKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000223641268 568554518 /nfs/dbraw/zinc/55/45/18/568554518.db2.gz WYYUFRUQTHHCNG-UHFFFAOYSA-N -1 0 403.887 5.250 40 0 HKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000223641491 568554593 /nfs/dbraw/zinc/55/45/93/568554593.db2.gz RAQOGXYJDTXMPK-UHFFFAOYSA-N -1 0 403.887 5.250 40 0 HKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223641556 568554548 /nfs/dbraw/zinc/55/45/48/568554548.db2.gz JRFWEZIBBFEDBO-UHFFFAOYSA-N -1 0 403.887 5.250 40 0 HKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000223641705 568554569 /nfs/dbraw/zinc/55/45/69/568554569.db2.gz WYKXIBXOKSKBNL-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000223641922 568554512 /nfs/dbraw/zinc/55/45/12/568554512.db2.gz GPTQDCUNLOBZHT-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223642008 568554577 /nfs/dbraw/zinc/55/45/77/568554577.db2.gz NVSZDKDLJGRGFS-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000223648070 568554788 /nfs/dbraw/zinc/55/47/88/568554788.db2.gz LCIIZIDIROXXNL-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000223648403 568554793 /nfs/dbraw/zinc/55/47/93/568554793.db2.gz QGGNPKFZGXLDSP-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223648494 568554810 /nfs/dbraw/zinc/55/48/10/568554810.db2.gz LOKZAQKYCRWKOO-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM O=S(=O)([N-]c1cccc(OCCc2ccccc2)c1)c1cc(Cl)ccc1Cl ZINC000223648769 568554869 /nfs/dbraw/zinc/55/48/69/568554869.db2.gz YUCTXDYWWDSPQS-UHFFFAOYSA-N -1 0 422.333 5.416 40 0 HKABRM CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3cccs3)c2)cc1 ZINC000223656700 568555195 /nfs/dbraw/zinc/55/51/95/568555195.db2.gz NQDPVLSZRZNFAN-UHFFFAOYSA-N -1 0 414.552 5.099 40 0 HKABRM CC1(C)CCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2O1 ZINC000223666733 568555470 /nfs/dbraw/zinc/55/54/70/568555470.db2.gz VDPJXFHHTGWLOE-UHFFFAOYSA-N -1 0 409.507 5.383 40 0 HKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000223675574 568555807 /nfs/dbraw/zinc/55/58/07/568555807.db2.gz AQZQYKOTRDTAPO-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000223675887 568555828 /nfs/dbraw/zinc/55/58/28/568555828.db2.gz BZCOCWGTHYYGLJ-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000223675974 568555867 /nfs/dbraw/zinc/55/58/67/568555867.db2.gz RXLFZKPUUKQOLD-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM CCc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1OC ZINC000223684004 568556083 /nfs/dbraw/zinc/55/60/83/568556083.db2.gz RUDXJRBVDHABLL-UHFFFAOYSA-N -1 0 417.914 5.504 40 0 HKABRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000223690101 568556282 /nfs/dbraw/zinc/55/62/82/568556282.db2.gz YGNHICRABMCGBG-UHFFFAOYSA-N -1 0 415.530 5.103 40 0 HKABRM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1ccc(Br)s1 ZINC000223850468 568560869 /nfs/dbraw/zinc/56/08/69/568560869.db2.gz GVZFOUCXAGSSJU-UHFFFAOYSA-N -1 0 408.298 5.211 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)c(Cl)c1Cl ZINC000223852772 568560948 /nfs/dbraw/zinc/56/09/48/568560948.db2.gz RJPWQRPRISUWCW-UHFFFAOYSA-N -1 0 422.289 5.702 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c(Cl)c1Cl ZINC000223853625 568560921 /nfs/dbraw/zinc/56/09/21/568560921.db2.gz LMYALIFJEDJJIR-UHFFFAOYSA-N -1 0 408.306 5.055 40 0 HKABRM COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc2c1 ZINC000223942267 568563901 /nfs/dbraw/zinc/56/39/01/568563901.db2.gz NNUJCFZHIKWYPB-UHFFFAOYSA-N -1 0 421.543 5.800 40 0 HKABRM CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223954061 568564434 /nfs/dbraw/zinc/56/44/34/568564434.db2.gz KMOLGBFMYIFQJK-UHFFFAOYSA-N -1 0 422.978 5.085 40 0 HKABRM CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223954301 568564419 /nfs/dbraw/zinc/56/44/19/568564419.db2.gz GNXDDBNOWACRNK-MRXNPFEDSA-N -1 0 422.978 5.087 40 0 HKABRM CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223954354 568564432 /nfs/dbraw/zinc/56/44/32/568564432.db2.gz GNXDDBNOWACRNK-INIZCTEOSA-N -1 0 422.978 5.087 40 0 HKABRM COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2c1 ZINC000224111588 568570450 /nfs/dbraw/zinc/57/04/50/568570450.db2.gz YLLSTIVIMDGRHP-UHFFFAOYSA-N -1 0 405.475 5.442 40 0 HKABRM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CC1CCCCC1)C(=O)[O-] ZINC000224646982 568590361 /nfs/dbraw/zinc/59/03/61/568590361.db2.gz SZQWVTJZNYDCRV-HSZRJFAPSA-N -1 0 407.510 5.291 40 0 HKABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Oc3ccccc3)cc1)CCCC2 ZINC000224736850 568594124 /nfs/dbraw/zinc/59/41/24/568594124.db2.gz PMMCAUBPRHDUSW-UHFFFAOYSA-N -1 0 409.507 5.167 40 0 HKABRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c(C)c1 ZINC000224856804 568600628 /nfs/dbraw/zinc/60/06/28/568600628.db2.gz QYBHDFKFCICHBT-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c(C)c1C ZINC000224989640 568607687 /nfs/dbraw/zinc/60/76/87/568607687.db2.gz BKTLVYKMSNIQKQ-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM O=C([O-])[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225109865 568614949 /nfs/dbraw/zinc/61/49/49/568614949.db2.gz AXIATKOFSVNGMN-AREMUKBSSA-N -1 0 410.469 6.221 40 0 HKABRM O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225109905 568614982 /nfs/dbraw/zinc/61/49/82/568614982.db2.gz AXIATKOFSVNGMN-SANMLTNESA-N -1 0 410.469 6.221 40 0 HKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225130889 568616356 /nfs/dbraw/zinc/61/63/56/568616356.db2.gz ZQPLBQZTRINSEH-QFIPXVFZSA-N -1 0 406.547 6.210 40 0 HKABRM CC(C)(C)c1ccccc1O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225130923 568616324 /nfs/dbraw/zinc/61/63/24/568616324.db2.gz ZQPLBQZTRINSEH-JOCHJYFZSA-N -1 0 406.547 6.210 40 0 HKABRM CC(C)(C)c1ccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1 ZINC000225130970 568616377 /nfs/dbraw/zinc/61/63/77/568616377.db2.gz UXRRQFGLNOBSEK-QFIPXVFZSA-N -1 0 406.547 6.210 40 0 HKABRM CC(C)(C)c1ccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)[O-])cc1 ZINC000225131005 568616214 /nfs/dbraw/zinc/61/62/14/568616214.db2.gz UXRRQFGLNOBSEK-JOCHJYFZSA-N -1 0 406.547 6.210 40 0 HKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Oc1cccc2ccccc21 ZINC000225131835 568616515 /nfs/dbraw/zinc/61/65/15/568616515.db2.gz DNKDWMXBGDVGPD-HSZRJFAPSA-N -1 0 400.499 6.066 40 0 HKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Oc1cccc2ccccc21 ZINC000225131876 568616510 /nfs/dbraw/zinc/61/65/10/568616510.db2.gz DNKDWMXBGDVGPD-QHCPKHFHSA-N -1 0 400.499 6.066 40 0 HKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225131935 568616517 /nfs/dbraw/zinc/61/65/17/568616517.db2.gz FKABYIRZYORPRC-HSZRJFAPSA-N -1 0 400.499 6.066 40 0 HKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225131973 568616518 /nfs/dbraw/zinc/61/65/18/568616518.db2.gz FKABYIRZYORPRC-QHCPKHFHSA-N -1 0 400.499 6.066 40 0 HKABRM O=C([O-])[C@@H](Cc1ccccc1Sc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225132222 568616528 /nfs/dbraw/zinc/61/65/28/568616528.db2.gz YPZXWMYBWMLBJU-HXUWFJFHSA-N -1 0 400.952 6.279 40 0 HKABRM O=C([O-])[C@H](Cc1ccccc1Sc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225132257 568616530 /nfs/dbraw/zinc/61/65/30/568616530.db2.gz YPZXWMYBWMLBJU-FQEVSTJZSA-N -1 0 400.952 6.279 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1Cl ZINC000225133293 568616889 /nfs/dbraw/zinc/61/68/89/568616889.db2.gz BICGJLNKISZDFU-HXUWFJFHSA-N -1 0 403.261 5.860 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1Cl ZINC000225133336 568616820 /nfs/dbraw/zinc/61/68/20/568616820.db2.gz BICGJLNKISZDFU-FQEVSTJZSA-N -1 0 403.261 5.860 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc(Cl)c1 ZINC000225133378 568616808 /nfs/dbraw/zinc/61/68/08/568616808.db2.gz ALOTVPMLMCNWJD-HXUWFJFHSA-N -1 0 403.261 5.860 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc(Cl)c1 ZINC000225133420 568616851 /nfs/dbraw/zinc/61/68/51/568616851.db2.gz ALOTVPMLMCNWJD-FQEVSTJZSA-N -1 0 403.261 5.860 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(Cl)cc1 ZINC000225133472 568616898 /nfs/dbraw/zinc/61/68/98/568616898.db2.gz GIDWTKVEMGZEDI-HXUWFJFHSA-N -1 0 403.261 5.860 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(Cl)cc1 ZINC000225133512 568616806 /nfs/dbraw/zinc/61/68/06/568616806.db2.gz GIDWTKVEMGZEDI-FQEVSTJZSA-N -1 0 403.261 5.860 40 0 HKABRM CC(C)(C)c1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225133564 568616869 /nfs/dbraw/zinc/61/68/69/568616869.db2.gz PDZBSOPOZLJSEY-QHCPKHFHSA-N -1 0 424.924 6.505 40 0 HKABRM CC(C)(C)c1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225133595 568616823 /nfs/dbraw/zinc/61/68/23/568616823.db2.gz PDZBSOPOZLJSEY-HSZRJFAPSA-N -1 0 424.924 6.505 40 0 HKABRM CC(C)(C)c1ccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225133650 568616847 /nfs/dbraw/zinc/61/68/47/568616847.db2.gz YFYUKQVXZGVITH-QHCPKHFHSA-N -1 0 424.924 6.505 40 0 HKABRM CC(C)(C)c1ccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])cc1 ZINC000225133686 568616901 /nfs/dbraw/zinc/61/69/01/568616901.db2.gz YFYUKQVXZGVITH-HSZRJFAPSA-N -1 0 424.924 6.505 40 0 HKABRM Cc1cc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225133828 568616875 /nfs/dbraw/zinc/61/68/75/568616875.db2.gz MIOCNLJKBQHLGY-NRFANRHFSA-N -1 0 417.288 6.169 40 0 HKABRM Cc1cc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])ccc1Cl ZINC000225133862 568616914 /nfs/dbraw/zinc/61/69/14/568616914.db2.gz MIOCNLJKBQHLGY-OAQYLSRUSA-N -1 0 417.288 6.169 40 0 HKABRM CC(C)c1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225133999 568616873 /nfs/dbraw/zinc/61/68/73/568616873.db2.gz PDSZXJDCPMAZMH-QHCPKHFHSA-N -1 0 410.897 6.330 40 0 HKABRM CC(C)c1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225134043 568616831 /nfs/dbraw/zinc/61/68/31/568616831.db2.gz PDSZXJDCPMAZMH-HSZRJFAPSA-N -1 0 410.897 6.330 40 0 HKABRM Cc1cc(C)c(C)c(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225134332 568616829 /nfs/dbraw/zinc/61/68/29/568616829.db2.gz HJTDFJMUKVYVGU-QHCPKHFHSA-N -1 0 410.897 6.132 40 0 HKABRM Cc1cc(C)c(C)c(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)[O-])c1 ZINC000225134362 568616849 /nfs/dbraw/zinc/61/68/49/568616849.db2.gz HJTDFJMUKVYVGU-HSZRJFAPSA-N -1 0 410.897 6.132 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc2ccccc21 ZINC000225134505 568616833 /nfs/dbraw/zinc/61/68/33/568616833.db2.gz KEHQXQPKDJPKTK-XMMPIXPASA-N -1 0 418.876 6.360 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc2ccccc21 ZINC000225134537 568616895 /nfs/dbraw/zinc/61/68/95/568616895.db2.gz KEHQXQPKDJPKTK-DEOSSOPVSA-N -1 0 418.876 6.360 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225134582 568617161 /nfs/dbraw/zinc/61/71/61/568617161.db2.gz STEARFFISPNOHM-XMMPIXPASA-N -1 0 418.876 6.360 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc2ccccc2c1 ZINC000225134615 568617164 /nfs/dbraw/zinc/61/71/64/568617164.db2.gz STEARFFISPNOHM-DEOSSOPVSA-N -1 0 418.876 6.360 40 0 HKABRM O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225134850 568617167 /nfs/dbraw/zinc/61/71/67/568617167.db2.gz QRNRYZUVXHPHGD-HXUWFJFHSA-N -1 0 419.329 6.574 40 0 HKABRM O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccc(Cl)cc1 ZINC000225134881 568617110 /nfs/dbraw/zinc/61/71/10/568617110.db2.gz QRNRYZUVXHPHGD-FQEVSTJZSA-N -1 0 419.329 6.574 40 0 HKABRM O=C([O-])[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225139052 568617303 /nfs/dbraw/zinc/61/73/03/568617303.db2.gz KRQDXMUDDCUOHD-AREMUKBSSA-N -1 0 410.469 6.221 40 0 HKABRM O=C([O-])[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 ZINC000225139092 568617439 /nfs/dbraw/zinc/61/74/39/568617439.db2.gz KRQDXMUDDCUOHD-SANMLTNESA-N -1 0 410.469 6.221 40 0 HKABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)oc1ccccc13)CCCC2 ZINC000225150619 568618312 /nfs/dbraw/zinc/61/83/12/568618312.db2.gz HUNUSCDFOGARSJ-UHFFFAOYSA-N -1 0 407.491 5.274 40 0 HKABRM CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2s1 ZINC000225229795 568624703 /nfs/dbraw/zinc/62/47/03/568624703.db2.gz FFKHXQVRTLIGMG-HNNXBMFYSA-N -1 0 419.959 5.015 40 0 HKABRM CCc1nc2ccc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2s1 ZINC000225229833 568624879 /nfs/dbraw/zinc/62/48/79/568624879.db2.gz FFKHXQVRTLIGMG-OAHLLOKOSA-N -1 0 419.959 5.015 40 0 HKABRM CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)[O-])c3cccc(Cl)c3)cc2s1 ZINC000225229886 568624876 /nfs/dbraw/zinc/62/48/76/568624876.db2.gz RPYPOZDPOMIYQD-HNNXBMFYSA-N -1 0 419.959 5.015 40 0 HKABRM CCc1nc2ccc(NC(=S)N[C@H](CC(=O)[O-])c3cccc(Cl)c3)cc2s1 ZINC000225229917 568624764 /nfs/dbraw/zinc/62/47/64/568624764.db2.gz RPYPOZDPOMIYQD-OAHLLOKOSA-N -1 0 419.959 5.015 40 0 HKABRM O=S(=O)([N-]c1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl ZINC000225270035 568627153 /nfs/dbraw/zinc/62/71/53/568627153.db2.gz KTJMLMNGRTZPKY-UHFFFAOYSA-N -1 0 418.305 5.338 40 0 HKABRM CC(C)CCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000225459639 560043408 /nfs/dbraw/zinc/04/34/08/560043408.db2.gz WICAPTTWPBEVPW-HSZRJFAPSA-N -1 0 403.607 6.136 40 0 biogenic,in-vitro HKABRM CC(C)CCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000225459671 560043359 /nfs/dbraw/zinc/04/33/59/560043359.db2.gz WICAPTTWPBEVPW-QHCPKHFHSA-N -1 0 403.607 6.136 40 0 biogenic,in-vitro HKABRM Fc1ccc(NC(=S)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1 ZINC000225460242 568640061 /nfs/dbraw/zinc/64/00/61/568640061.db2.gz KXDRZCAPPCEWOA-UHFFFAOYSA-N -1 0 402.947 6.580 40 0 HKABRM S=C([N-]c1ccccc1SCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000225465601 568640424 /nfs/dbraw/zinc/64/04/24/568640424.db2.gz WTOBEQHAHWHKFH-UHFFFAOYSA-N -1 0 419.402 7.095 40 0 HKABRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)CCCC2 ZINC000225525731 568647083 /nfs/dbraw/zinc/64/70/83/568647083.db2.gz BKTYRGCHCRWSSO-UHFFFAOYSA-N -1 0 419.852 5.047 40 0 HKABRM O=C([O-])COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 ZINC000225556047 568651062 /nfs/dbraw/zinc/65/10/62/568651062.db2.gz OUCNMMJRIIOKIM-UHFFFAOYSA-N -1 0 422.308 5.297 40 0 HKABRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1 ZINC000225589621 568655353 /nfs/dbraw/zinc/65/53/53/568655353.db2.gz UEOVWQJQBHTUNI-UHFFFAOYSA-N -1 0 408.932 5.038 40 0 HKABRM COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000225598243 568655925 /nfs/dbraw/zinc/65/59/25/568655925.db2.gz WJGLLXNLDMDACF-UHFFFAOYSA-N -1 0 421.877 5.389 40 0 HKABRM COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225599489 568655898 /nfs/dbraw/zinc/65/58/98/568655898.db2.gz JLECOUDSTPWUAP-UHFFFAOYSA-N -1 0 421.877 5.389 40 0 HKABRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000225599531 568655987 /nfs/dbraw/zinc/65/59/87/568655987.db2.gz CLLNXIHUTPIPDC-UHFFFAOYSA-N -1 0 421.877 5.389 40 0 HKABRM Cc1cc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1F ZINC000225607660 568656579 /nfs/dbraw/zinc/65/65/79/568656579.db2.gz AIROYYAJWJRCEU-UHFFFAOYSA-N -1 0 421.946 5.881 40 0 HKABRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000225623757 568658136 /nfs/dbraw/zinc/65/81/36/568658136.db2.gz SQRFWLSPRFABFU-UHFFFAOYSA-N -1 0 417.914 5.559 40 0 HKABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CSc2ccccc2)cc1 ZINC000225728242 568668401 /nfs/dbraw/zinc/66/84/01/568668401.db2.gz QABAJQZWGUEJIJ-UHFFFAOYSA-N -1 0 419.955 5.442 40 0 HKABRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(C)C ZINC000225790920 568674795 /nfs/dbraw/zinc/67/47/95/568674795.db2.gz PZVMIEKDYHWLTQ-UHFFFAOYSA-N -1 0 411.523 5.720 40 0 HKABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C2CCCCC2)o1 ZINC000225980739 568689806 /nfs/dbraw/zinc/68/98/06/568689806.db2.gz AEJAUABDAIBHQR-UHFFFAOYSA-N -1 0 418.902 5.216 40 0 HKABRM O=C([O-])c1ccc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C2CCCCC2)o1 ZINC000225980760 526364138 /nfs/dbraw/zinc/36/41/38/526364138.db2.gz QYKYZZUXHBPYAE-UHFFFAOYSA-N -1 0 418.902 5.216 40 0 HKABRM O=S(=O)([O-])c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc3cccc1c32 ZINC000226249397 569278754 /nfs/dbraw/zinc/27/87/54/569278754.db2.gz OUBJZTIQWABTFR-UHFFFAOYSA-N -1 0 400.459 5.297 40 0 HKABRM O=C([O-])c1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000226333989 568694927 /nfs/dbraw/zinc/69/49/27/568694927.db2.gz JLYGZQVAUKMGFP-GIVPXCGWSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@@H]21 ZINC000226333996 568694963 /nfs/dbraw/zinc/69/49/63/568694963.db2.gz JLYGZQVAUKMGFP-JBACZVJFSA-N -1 0 409.407 5.875 40 0 HKABRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000226338481 568694832 /nfs/dbraw/zinc/69/48/32/568694832.db2.gz MEJYXHVXOXPRNY-COPCDDAFSA-N -1 0 406.522 5.372 40 0 HKABRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000226338487 568694873 /nfs/dbraw/zinc/69/48/73/568694873.db2.gz MEJYXHVXOXPRNY-QIJUGHKUSA-N -1 0 406.522 5.372 40 0 HKABRM O=C([O-])c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000226339691 559273284 /nfs/dbraw/zinc/27/32/84/559273284.db2.gz YAHGNHVYGWQQCP-UHFFFAOYSA-N -1 0 410.478 5.687 40 0 HKABRM O=C([O-])c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226339776 559273288 /nfs/dbraw/zinc/27/32/88/559273288.db2.gz FVUWSRTZKYPAOK-UHFFFAOYSA-N -1 0 410.478 5.687 40 0 HKABRM O=C([O-])c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000226340007 559273326 /nfs/dbraw/zinc/27/33/26/559273326.db2.gz QSWREVJLHVXQEL-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM O=C([O-])c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 ZINC000226340082 559273353 /nfs/dbraw/zinc/27/33/53/559273353.db2.gz QKXWIDRYWSANQX-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM O=C([O-])/C=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000226341663 559273618 /nfs/dbraw/zinc/27/36/18/559273618.db2.gz UBFFMZXIUKKDEF-CMDGGOBGSA-N -1 0 417.686 5.933 40 0 HKABRM O=C([O-])CCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000226342157 559273740 /nfs/dbraw/zinc/27/37/40/559273740.db2.gz BZQSXIGEVKMVES-UHFFFAOYSA-N -1 0 404.087 5.352 40 0 HKABRM O=C([O-])CCc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 ZINC000226342273 559273699 /nfs/dbraw/zinc/27/36/99/559273699.db2.gz YMRCYRCFCHUULR-UHFFFAOYSA-N -1 0 404.087 5.352 40 0 HKABRM O=C([O-])CCc1cc(Cl)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000226342396 559273683 /nfs/dbraw/zinc/27/36/83/559273683.db2.gz SSRZEUAVSXWWPO-UHFFFAOYSA-N -1 0 419.702 5.852 40 0 HKABRM Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(C(=O)[O-])o1 ZINC000226355288 525263208 /nfs/dbraw/zinc/26/32/08/525263208.db2.gz ZLRYGILUFQJXPV-UHFFFAOYSA-N -1 0 422.506 5.203 40 0 HKABRM O=C([O-])c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 ZINC000226359395 559273631 /nfs/dbraw/zinc/27/36/31/559273631.db2.gz OMINTABZBYOIIL-UHFFFAOYSA-N -1 0 413.971 5.189 40 0 HKABRM Cc1c(Cl)cccc1NCc1cc(Br)c([O-])c(Br)c1 ZINC000235730688 569291006 /nfs/dbraw/zinc/29/10/06/569291006.db2.gz OLXGQLYPSBXMJU-UHFFFAOYSA-N -1 0 405.517 5.491 40 0 HKABRM Cc1ccc(Cl)cc1NCc1cc(Br)c([O-])c(Br)c1 ZINC000235759815 569291004 /nfs/dbraw/zinc/29/10/04/569291004.db2.gz FPEJJBQCDJZVNI-UHFFFAOYSA-N -1 0 405.517 5.491 40 0 HKABRM Cc1ccc(NCc2cc(Br)c([O-])c(Br)c2)cc1Cl ZINC000235866166 569291002 /nfs/dbraw/zinc/29/10/02/569291002.db2.gz RHHAVVFPFUHXTC-UHFFFAOYSA-N -1 0 405.517 5.491 40 0 HKABRM O=C([O-])c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000236464722 569291250 /nfs/dbraw/zinc/29/12/50/569291250.db2.gz QMNCVRLGYOUNBZ-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000242437458 569402026 /nfs/dbraw/zinc/40/20/26/569402026.db2.gz CAJUEVWERQYXKM-QGDZQMKYSA-N -1 0 419.521 5.195 40 0 HKABRM CC(C)CCC[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245239618 569370341 /nfs/dbraw/zinc/37/03/41/569370341.db2.gz LDPPQIQFKNQQLH-ACNWSCOFSA-N -1 0 416.646 6.453 40 0 HKABRM CC(C)CCC[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000245239619 569370367 /nfs/dbraw/zinc/37/03/67/569370367.db2.gz LDPPQIQFKNQQLH-CASVCPBFSA-N -1 0 416.646 6.453 40 0 HKABRM CC(C)C/C=C\[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000245241080 569370472 /nfs/dbraw/zinc/37/04/72/569370472.db2.gz XBGUSQBSWPZOOX-NPDWHPQPSA-N -1 0 414.630 6.229 40 0 HKABRM Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)[O-])cc1 ZINC000247992859 569371098 /nfs/dbraw/zinc/37/10/98/569371098.db2.gz NOCDKRIOXMJXFY-CXSMSNRLSA-N -1 0 411.501 5.388 40 0 HKABRM Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)[O-])cc1 ZINC000247992866 569371118 /nfs/dbraw/zinc/37/11/18/569371118.db2.gz NOCDKRIOXMJXFY-ZYQDXHPFSA-N -1 0 411.501 5.388 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000248236065 569371677 /nfs/dbraw/zinc/37/16/77/569371677.db2.gz CGHGJNRXRSZLJH-QYUJHIDSSA-N -1 0 414.674 7.729 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C ZINC000253390084 560039632 /nfs/dbraw/zinc/03/96/32/560039632.db2.gz CGYXDTVDPDQBGI-BOSJGRNASA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)[O-])[C@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C ZINC000253390085 560039625 /nfs/dbraw/zinc/03/96/25/560039625.db2.gz CGYXDTVDPDQBGI-BZWFPGKASA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](C(=O)[O-])[C@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C ZINC000253390086 560039629 /nfs/dbraw/zinc/03/96/29/560039629.db2.gz CGYXDTVDPDQBGI-IQXDOFMRSA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](C(=O)[O-])[C@@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C ZINC000253390087 560039633 /nfs/dbraw/zinc/03/96/33/560039633.db2.gz CGYXDTVDPDQBGI-WJZQNJPFSA-N -1 0 404.635 6.742 40 0 biogenic,in-vitro HKABRM Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)[O-])c1 ZINC000253562563 569373987 /nfs/dbraw/zinc/37/39/87/569373987.db2.gz DKOXAZTZHHSMGP-CXSMSNRLSA-N -1 0 411.501 5.388 40 0 HKABRM Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)[O-])c1 ZINC000253562564 569373998 /nfs/dbraw/zinc/37/39/98/569373998.db2.gz DKOXAZTZHHSMGP-ZYQDXHPFSA-N -1 0 411.501 5.388 40 0 HKABRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609154 569374221 /nfs/dbraw/zinc/37/42/21/569374221.db2.gz CGHGJNRXRSZLJH-ANXXSGBDSA-N -1 0 414.674 7.729 40 0 HKABRM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253609155 569374258 /nfs/dbraw/zinc/37/42/58/569374258.db2.gz CGHGJNRXRSZLJH-LEGICGBYSA-N -1 0 414.674 7.729 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253609156 569374268 /nfs/dbraw/zinc/37/42/68/569374268.db2.gz CGHGJNRXRSZLJH-LOTJMELFSA-N -1 0 414.674 7.729 40 0 HKABRM CC(C)CCC[C@@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000253609599 569374365 /nfs/dbraw/zinc/37/43/65/569374365.db2.gz LDPPQIQFKNQQLH-KBVDRANJSA-N -1 0 416.646 6.453 40 0 HKABRM CC(C)CCC[C@@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@H]3CC[C@H]2C1 ZINC000253609600 569374305 /nfs/dbraw/zinc/37/43/05/569374305.db2.gz LDPPQIQFKNQQLH-LZJVEFLHSA-N -1 0 416.646 6.453 40 0 HKABRM CC(C)C/C=C\[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000253617381 569374468 /nfs/dbraw/zinc/37/44/68/569374468.db2.gz XBGUSQBSWPZOOX-AJOCCDRYSA-N -1 0 414.630 6.229 40 0 HKABRM CC(C)C/C=C\[C@H](C(=O)[O-])C1=CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4O)[C@@H]3CC[C@H]2C1 ZINC000253617384 569374382 /nfs/dbraw/zinc/37/43/82/569374382.db2.gz XBGUSQBSWPZOOX-REJXPNJKSA-N -1 0 414.630 6.229 40 0 HKABRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1OCc1ccccc1Cl ZINC000256027821 569376112 /nfs/dbraw/zinc/37/61/12/569376112.db2.gz DWICJYFOBGZRJL-UHFFFAOYSA-N -1 0 408.841 5.169 40 0 HKABRM O=C([O-])c1ccc2[nH]c(-c3ccc(OCc4c(Cl)cccc4Cl)cc3)nc2c1 ZINC000256027882 569376225 /nfs/dbraw/zinc/37/62/25/569376225.db2.gz HXJNVKFHMQBQKI-UHFFFAOYSA-N -1 0 413.260 5.814 40 0 HKABRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1OCc1ccc(Cl)cc1 ZINC000256027906 569376134 /nfs/dbraw/zinc/37/61/34/569376134.db2.gz JKSVZQJUYPNYKH-UHFFFAOYSA-N -1 0 408.841 5.169 40 0 HKABRM O=C([O-])c1ccc2[nH]c(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000256028003 569376308 /nfs/dbraw/zinc/37/63/08/569376308.db2.gz NQFSXKGYEPGNET-UHFFFAOYSA-N -1 0 413.260 5.814 40 0 HKABRM O=C([O-])c1ccc2[nH]c(-c3ccc(OCc4ccc(Br)cc4)cc3)nc2c1 ZINC000256028146 569376266 /nfs/dbraw/zinc/37/62/66/569376266.db2.gz VXCBBVSCALSJQX-UHFFFAOYSA-N -1 0 423.266 5.270 40 0 HKABRM Cc1ccc(Oc2ccccc2C(=O)N(CCc2ccc(Cl)cc2)CC(=O)[O-])cc1 ZINC000257199852 569376641 /nfs/dbraw/zinc/37/66/41/569376641.db2.gz ABAZEGYNXKYBIO-UHFFFAOYSA-N -1 0 423.896 5.210 40 0 HKABRM CC(C)COc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257201773 569376605 /nfs/dbraw/zinc/37/66/05/569376605.db2.gz AIZXZUUIGUYYFG-UHFFFAOYSA-N -1 0 410.489 5.745 40 0 HKABRM CC1(C)Oc2ccc(C(=O)[O-])cc2[C@H]2O[C@H](C3CC3)[C@H](c3cccc(Cl)c3)C[C@H]21 ZINC000257203373 569376767 /nfs/dbraw/zinc/37/67/67/569376767.db2.gz APSPHPLRXUSJKY-RGMHLJPOSA-N -1 0 412.913 5.849 40 0 HKABRM CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257210011 569376772 /nfs/dbraw/zinc/37/67/72/569376772.db2.gz BSTLDJDHJHYOAZ-UHFFFAOYSA-N -1 0 410.489 5.889 40 0 HKABRM CC[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257210384 569376781 /nfs/dbraw/zinc/37/67/81/569376781.db2.gz BUKLJXJWLKARSJ-BOFXEDATSA-N -1 0 400.902 5.849 40 0 HKABRM CC[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 ZINC000257210385 569376789 /nfs/dbraw/zinc/37/67/89/569376789.db2.gz BUKLJXJWLKARSJ-MCNSAMFCSA-N -1 0 400.902 5.849 40 0 HKABRM CC[C@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257210386 569376758 /nfs/dbraw/zinc/37/67/58/569376758.db2.gz BUKLJXJWLKARSJ-WQZMEWCLSA-N -1 0 400.902 5.849 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000257212449 569376713 /nfs/dbraw/zinc/37/67/13/569376713.db2.gz CDLJGCRVBSLFEJ-NRPWOKLWSA-N -1 0 421.320 6.113 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000257212450 569376778 /nfs/dbraw/zinc/37/67/78/569376778.db2.gz CDLJGCRVBSLFEJ-QFJVWABPSA-N -1 0 421.320 6.113 40 0 HKABRM O=C([O-])/C=C/c1ccc(CN2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215780 569376922 /nfs/dbraw/zinc/37/69/22/569376922.db2.gz CRPNYBSMDSKXAZ-FQTAANOTSA-N -1 0 422.912 5.354 40 0 HKABRM O=C([O-])/C=C/c1ccc(CN2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000257215781 569376905 /nfs/dbraw/zinc/37/69/05/569376905.db2.gz CRPNYBSMDSKXAZ-RUCTVCJSSA-N -1 0 422.912 5.354 40 0 HKABRM Cc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)c2ccccc2)c1 ZINC000257217190 569376904 /nfs/dbraw/zinc/37/69/04/569376904.db2.gz CXXRCJLNWIGWGJ-GOSISDBHSA-N -1 0 421.468 5.001 40 0 HKABRM Cc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)c2ccccc2)c1 ZINC000257217191 569376888 /nfs/dbraw/zinc/37/68/88/569376888.db2.gz CXXRCJLNWIGWGJ-SFHVURJKSA-N -1 0 421.468 5.001 40 0 HKABRM CCC[C@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 ZINC000257217494 569376927 /nfs/dbraw/zinc/37/69/27/569376927.db2.gz CZFDRGNSJPVMMV-UGGKCQTMSA-N -1 0 414.929 6.239 40 0 HKABRM CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4ccccc4C(=O)[O-])c3O2)cc1 ZINC000257217885 569376926 /nfs/dbraw/zinc/37/69/26/569376926.db2.gz DAZQMBRHGJPWQB-MUUNZHRXSA-N -1 0 414.545 6.721 40 0 HKABRM CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4ccccc4C(=O)[O-])c3O2)cc1 ZINC000257217886 569376851 /nfs/dbraw/zinc/37/68/51/569376851.db2.gz DAZQMBRHGJPWQB-NDEPHWFRSA-N -1 0 414.545 6.721 40 0 HKABRM CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@H](CCc3ccccc3)[C@H](C(=O)[O-])C[C@H]1C(C)(C)O2 ZINC000257218656 569376897 /nfs/dbraw/zinc/37/68/97/569376897.db2.gz DDZSSDXWNXAKMD-AZKZNFPZSA-N -1 0 422.565 5.935 40 0 HKABRM CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@H](CCc3ccccc3)[C@@H](C(=O)[O-])C[C@H]1C(C)(C)O2 ZINC000257218657 569376929 /nfs/dbraw/zinc/37/69/29/569376929.db2.gz DDZSSDXWNXAKMD-NXYDZRKXSA-N -1 0 422.565 5.935 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(CCC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 ZINC000257220276 569376896 /nfs/dbraw/zinc/37/68/96/569376896.db2.gz DKFXBMWBWAGQJV-OMABIOOLSA-N -1 0 414.929 5.778 40 0 HKABRM C[C@H]1O[C@@H]2c3cc(CCC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257220277 569376881 /nfs/dbraw/zinc/37/68/81/569376881.db2.gz DKFXBMWBWAGQJV-RSCRWXTISA-N -1 0 414.929 5.778 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(CCC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257220278 569376867 /nfs/dbraw/zinc/37/68/67/569376867.db2.gz DKFXBMWBWAGQJV-VZWKMPHESA-N -1 0 414.929 5.778 40 0 HKABRM O=C([O-])COc1cc(F)ccc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC000257222109 569376920 /nfs/dbraw/zinc/37/69/20/569376920.db2.gz DRZACQDKMLGLHZ-UHFFFAOYSA-N -1 0 420.415 5.007 40 0 HKABRM Cc1[nH]c2ccc(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(Cl)c3)cc2c1C(C)C ZINC000257224334 569376925 /nfs/dbraw/zinc/37/69/25/569376925.db2.gz FBJHOULHZGPZKI-UHFFFAOYSA-N -1 0 416.880 5.119 40 0 HKABRM COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(CC(=O)[O-])ccc4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257225053 569377028 /nfs/dbraw/zinc/37/70/28/569377028.db2.gz FEPGKIWWOZPVSB-FGJSELGCSA-N -1 0 422.521 5.060 40 0 HKABRM COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(CC(=O)[O-])ccc4OC(C)(C)[C@H]3C[C@H]21 ZINC000257225054 569376996 /nfs/dbraw/zinc/37/69/96/569376996.db2.gz FEPGKIWWOZPVSB-TVPUMLRDSA-N -1 0 422.521 5.060 40 0 HKABRM CCCc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000257225376 569377037 /nfs/dbraw/zinc/37/70/37/569377037.db2.gz FFXPXBKLCMLNEI-UHFFFAOYSA-N -1 0 413.926 5.078 40 0 HKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCCC)cc1-c1ccc(F)cc1 ZINC000257231778 569376986 /nfs/dbraw/zinc/37/69/86/569376986.db2.gz GIENAWMNIXDNJL-UHFFFAOYSA-N -1 0 410.489 5.572 40 0 HKABRM Cc1ccccc1CN(C(=O)COc1c(F)cccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000257232163 569377041 /nfs/dbraw/zinc/37/70/41/569377041.db2.gz GJRJXNVIEIOYKQ-SFHVURJKSA-N -1 0 421.468 5.001 40 0 HKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1C ZINC000257232561 569377022 /nfs/dbraw/zinc/37/70/22/569377022.db2.gz GLJVOKRMGRCVQQ-UHFFFAOYSA-N -1 0 407.485 5.980 40 0 HKABRM CC(C)Cc1nc(COc2ccccc2C(C)C)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257234537 569377166 /nfs/dbraw/zinc/37/71/66/569377166.db2.gz GTZXWVHNQCMRBT-UHFFFAOYSA-N -1 0 421.512 6.487 40 0 HKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(CCc2cc(Cl)cc(Cl)c2)n1 ZINC000257238484 569377140 /nfs/dbraw/zinc/37/71/40/569377140.db2.gz HLEBYNMHTBSCGB-UHFFFAOYSA-N -1 0 416.304 5.938 40 0 HKABRM CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCCC)n1 ZINC000257239741 569377161 /nfs/dbraw/zinc/37/71/61/569377161.db2.gz HQPPDHMAGFRWQK-UHFFFAOYSA-N -1 0 422.525 5.903 40 0 HKABRM CC(C)Cc1ccc([C@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(CC(=O)[O-])ccc2OC3(C)C)cc1 ZINC000257240040 569377135 /nfs/dbraw/zinc/37/71/35/569377135.db2.gz HRUFNEYGTQQKOV-XJVLEYDFSA-N -1 0 422.565 5.933 40 0 HKABRM CC(C)Cc1ccc([C@@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(CC(=O)[O-])ccc2OC3(C)C)cc1 ZINC000257240041 569377087 /nfs/dbraw/zinc/37/70/87/569377087.db2.gz HRUFNEYGTQQKOV-YCUBBRRCSA-N -1 0 422.565 5.933 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257241239 569377137 /nfs/dbraw/zinc/37/71/37/569377137.db2.gz HXGVBDKZYCOEIW-UHLGDJFJSA-N -1 0 400.902 5.388 40 0 HKABRM C[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 ZINC000257241240 569377143 /nfs/dbraw/zinc/37/71/43/569377143.db2.gz HXGVBDKZYCOEIW-VRONRVGUSA-N -1 0 400.902 5.388 40 0 HKABRM CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 ZINC000257242307 569377125 /nfs/dbraw/zinc/37/71/25/569377125.db2.gz IBWINHPGSPWCKN-UHFFFAOYSA-N -1 0 412.917 5.552 40 0 HKABRM CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 ZINC000257244249 569377131 /nfs/dbraw/zinc/37/71/31/569377131.db2.gz IKMLPNHQJVBBTC-UHFFFAOYSA-N -1 0 416.452 5.501 40 0 HKABRM CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 ZINC000257245295 569377214 /nfs/dbraw/zinc/37/72/14/569377214.db2.gz IOWLEASEYVFGKS-UHFFFAOYSA-N -1 0 412.917 5.552 40 0 HKABRM CCCc1ccc(OCc2nc(CCC)c(-c3ccccc3F)cc2C(=O)[O-])cc1 ZINC000257246021 569377079 /nfs/dbraw/zinc/37/70/79/569377079.db2.gz ISBSAWRRNWWICR-UHFFFAOYSA-N -1 0 407.485 6.070 40 0 HKABRM Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 ZINC000257247718 569377304 /nfs/dbraw/zinc/37/73/04/569377304.db2.gz JADXSEXXPGLHGO-UHFFFAOYSA-N -1 0 412.917 5.607 40 0 HKABRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(C)C ZINC000257248672 569377232 /nfs/dbraw/zinc/37/72/32/569377232.db2.gz JESNABRUYITIAD-UHFFFAOYSA-N -1 0 412.555 5.016 40 0 HKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCC)cc1-c1ccccc1OC ZINC000257249412 569377277 /nfs/dbraw/zinc/37/72/77/569377277.db2.gz JIGDQALZIGMOAK-UHFFFAOYSA-N -1 0 408.498 5.052 40 0 HKABRM Cc1cccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])c1C ZINC000257249803 569377313 /nfs/dbraw/zinc/37/73/13/569377313.db2.gz JJVKWLZLGZIOPW-UHFFFAOYSA-N -1 0 407.485 5.980 40 0 HKABRM CCCc1nc(COc2ccccc2C(C)C)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257250480 569377240 /nfs/dbraw/zinc/37/72/40/569377240.db2.gz JMRMWBKQPWSQJX-UHFFFAOYSA-N -1 0 407.485 6.241 40 0 HKABRM CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCCC)cc1-c1ccccc1OC ZINC000257251326 569377234 /nfs/dbraw/zinc/37/72/34/569377234.db2.gz JQHWXOQYQPOSTO-UHFFFAOYSA-N -1 0 408.498 5.513 40 0 HKABRM CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257251612 569377257 /nfs/dbraw/zinc/37/72/57/569377257.db2.gz JRLLJXCPGUOCAJ-JQVVWYNYSA-N -1 0 405.897 5.308 40 0 HKABRM CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(Cl)c2O)O[C@H](c2ccc(F)cc2)C1 ZINC000257251613 569377263 /nfs/dbraw/zinc/37/72/63/569377263.db2.gz JRLLJXCPGUOCAJ-NNMXDRDESA-N -1 0 405.897 5.308 40 0 HKABRM COc1ccccc1-c1cc(-c2cc(C(=O)[O-])ccc2OCC(C)C)nn1CC(C)C ZINC000257256366 569377405 /nfs/dbraw/zinc/37/74/05/569377405.db2.gz KLCNFXXHBSHBPP-UHFFFAOYSA-N -1 0 422.525 5.615 40 0 HKABRM CCOc1ccccc1-c1cc(-c2cc(C(=O)[O-])ccc2OCC)nn1CC(C)C ZINC000257256612 569377443 /nfs/dbraw/zinc/37/74/43/569377443.db2.gz KMFLIBRRCUWCGN-UHFFFAOYSA-N -1 0 408.498 5.369 40 0 HKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(C(C)(C)CC)cc2)n1 ZINC000257257181 569377406 /nfs/dbraw/zinc/37/74/06/569377406.db2.gz 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CC[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(OC)cc1 ZINC000257268864 569377433 /nfs/dbraw/zinc/37/74/33/569377433.db2.gz MNOOXZGJVIKRHZ-KDNSLJGTSA-N -1 0 410.510 5.133 40 0 HKABRM CC[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(OC)cc1 ZINC000257268865 569377569 /nfs/dbraw/zinc/37/75/69/569377569.db2.gz MNOOXZGJVIKRHZ-SODVOOIJSA-N -1 0 410.510 5.133 40 0 HKABRM CC(C)[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 ZINC000257269314 569377544 /nfs/dbraw/zinc/37/75/44/569377544.db2.gz MPLJYQFFAQQTBN-BLKABHOGSA-N -1 0 414.929 6.095 40 0 HKABRM CC(C)[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257269315 569377502 /nfs/dbraw/zinc/37/75/02/569377502.db2.gz MPLJYQFFAQQTBN-XMGTWHOFSA-N -1 0 414.929 6.095 40 0 HKABRM CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCC)cc1-c1ccccc1OCC ZINC000257269529 569377511 /nfs/dbraw/zinc/37/75/11/569377511.db2.gz MQJGUCUWTLJZDG-UHFFFAOYSA-N -1 0 408.498 5.513 40 0 HKABRM CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OC)cc1-c1ccccc1OCC ZINC000257269959 569377566 /nfs/dbraw/zinc/37/75/66/569377566.db2.gz MSDOMRUFNZKKOT-UHFFFAOYSA-N -1 0 408.498 5.052 40 0 HKABRM COc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 ZINC000257270054 569377572 /nfs/dbraw/zinc/37/75/72/569377572.db2.gz MSPDVNGQDSTBSN-UHFFFAOYSA-N -1 0 416.452 5.040 40 0 HKABRM CCCc1nc(CCc2cc(OC)ccc2OC)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257270285 569377550 /nfs/dbraw/zinc/37/75/50/569377550.db2.gz MTNWJSYMESSJDD-UHFFFAOYSA-N -1 0 423.484 5.341 40 0 HKABRM CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4cccc(C(=O)[O-])c4)c3O2)cc1 ZINC000257270913 569377563 /nfs/dbraw/zinc/37/75/63/569377563.db2.gz MWDZJKVPAUHZDI-MUUNZHRXSA-N -1 0 414.545 6.721 40 0 HKABRM CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4cccc(C(=O)[O-])c4)c3O2)cc1 ZINC000257270914 569377577 /nfs/dbraw/zinc/37/75/77/569377577.db2.gz MWDZJKVPAUHZDI-NDEPHWFRSA-N -1 0 414.545 6.721 40 0 HKABRM CC(C)Cn1nc(-c2cc(C(C)C)ccc2OCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000257272623 569377548 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ZINC000257293668 569377773 /nfs/dbraw/zinc/37/77/73/569377773.db2.gz QQQIQTSCUUTGAK-MUUNZHRXSA-N -1 0 414.545 6.721 40 0 HKABRM CCCCc1ccc(C[C@]2(C)CCc3ccc(-c4ccccc4C(=O)[O-])cc3O2)cc1 ZINC000257293669 569377777 /nfs/dbraw/zinc/37/77/77/569377777.db2.gz QQQIQTSCUUTGAK-NDEPHWFRSA-N -1 0 414.545 6.721 40 0 HKABRM Cc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c(OCC(=O)[O-])c1 ZINC000257293848 569377743 /nfs/dbraw/zinc/37/77/43/569377743.db2.gz QRLJNMNHVKGXBX-UHFFFAOYSA-N -1 0 416.452 5.176 40 0 HKABRM CC(C)Cn1nc(-c2cc(F)c(F)cc2OCC(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000257294967 569377764 /nfs/dbraw/zinc/37/77/64/569377764.db2.gz QWLOACHDJJXBOX-UHFFFAOYSA-N -1 0 420.843 5.268 40 0 HKABRM CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257297249 569377796 /nfs/dbraw/zinc/37/77/96/569377796.db2.gz RGMYJYJKBBHIQE-UHFFFAOYSA-N -1 0 410.489 5.428 40 0 HKABRM Cc1ccc(CN(C(=O)COc2cc(C)ccc2C(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000257297452 569377727 /nfs/dbraw/zinc/37/77/27/569377727.db2.gz 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CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCC(C)C)cc1-c1ccccc1OC ZINC000257303277 569377979 /nfs/dbraw/zinc/37/79/79/569377979.db2.gz SGNFFHJNFWSJJL-UHFFFAOYSA-N -1 0 422.525 5.759 40 0 HKABRM CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 ZINC000257303971 569377949 /nfs/dbraw/zinc/37/79/49/569377949.db2.gz SJNRRXAPYDNEIX-UHFFFAOYSA-N -1 0 410.489 5.428 40 0 HKABRM CC1(C)Oc2ccc(CCC(=O)[O-])cc2[C@H]2O[C@H]3CCCc4ccccc4[C@@H]3C[C@@H]21 ZINC000257304192 569377931 /nfs/dbraw/zinc/37/79/31/569377931.db2.gz SKLIWOQNAHHFSG-FGJSELGCSA-N -1 0 406.522 5.441 40 0 HKABRM CC1(C)Oc2ccc(CCC(=O)[O-])cc2[C@H]2O[C@H]3CCCc4ccccc4[C@H]3C[C@@H]21 ZINC000257304193 569377921 /nfs/dbraw/zinc/37/79/21/569377921.db2.gz SKLIWOQNAHHFSG-TVPUMLRDSA-N -1 0 406.522 5.441 40 0 HKABRM CC[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 ZINC000257305718 569377919 /nfs/dbraw/zinc/37/79/19/569377919.db2.gz SREARQPRSQQONU-QUZFRVLNSA-N -1 0 414.929 5.778 40 0 HKABRM CC[C@@H]1O[C@@H]2c3cc(CC(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 ZINC000257305719 569377915 /nfs/dbraw/zinc/37/79/15/569377915.db2.gz SREARQPRSQQONU-XDTJVVMOSA-N -1 0 414.929 5.778 40 0 HKABRM CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 ZINC000257311069 569377994 /nfs/dbraw/zinc/37/79/94/569377994.db2.gz UHURJPLDVKXNLE-UHFFFAOYSA-N -1 0 424.516 5.818 40 0 HKABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 ZINC000257313639 569378067 /nfs/dbraw/zinc/37/80/67/569378067.db2.gz UTLQUTFKKAQHDI-UHFFFAOYSA-N -1 0 412.917 6.014 40 0 HKABRM COc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 ZINC000257319489 569378110 /nfs/dbraw/zinc/37/81/10/569378110.db2.gz VSULBURMSGSEQK-UHFFFAOYSA-N -1 0 402.425 5.111 40 0 HKABRM CC(C)c1nc(Cc2ccc(F)cc2Cl)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257319577 569378127 /nfs/dbraw/zinc/37/81/27/569378127.db2.gz VTCBKDOBQXAWPF-UHFFFAOYSA-N -1 0 401.840 6.093 40 0 HKABRM CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 ZINC000257322598 569378129 /nfs/dbraw/zinc/37/81/29/569378129.db2.gz WGQCYYMYXQROMO-UHFFFAOYSA-N -1 0 424.516 5.818 40 0 HKABRM CC(C)COc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2)n(CC(C)C)n1 ZINC000257323605 569378116 /nfs/dbraw/zinc/37/81/16/569378116.db2.gz WLBIJPAIXHSITN-UHFFFAOYSA-N -1 0 406.526 5.535 40 0 HKABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 ZINC000257324038 569378038 /nfs/dbraw/zinc/37/80/38/569378038.db2.gz WMWVGUUPCMUZKB-UHFFFAOYSA-N -1 0 408.498 5.369 40 0 HKABRM CCCCc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000257325601 569378170 /nfs/dbraw/zinc/37/81/70/569378170.db2.gz WTRJSZRIRNUICT-MUUNZHRXSA-N -1 0 414.545 6.721 40 0 HKABRM CCCCc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000257325602 569378244 /nfs/dbraw/zinc/37/82/44/569378244.db2.gz WTRJSZRIRNUICT-NDEPHWFRSA-N -1 0 414.545 6.721 40 0 HKABRM CC(C)[C@@H]1O[C@@H]2c3cc(C(=O)[O-])ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 ZINC000257328199 569378174 /nfs/dbraw/zinc/37/81/74/569378174.db2.gz XEPDLKVJBBNHDU-QTPAZIJBSA-N -1 0 414.929 6.095 40 0 HKABRM CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 ZINC000257330129 569378230 /nfs/dbraw/zinc/37/82/30/569378230.db2.gz XMZHDTRNGHISKQ-UHFFFAOYSA-N -1 0 410.489 5.889 40 0 HKABRM CCOc1ccc([C@H]2C[C@H]3[C@H](O[C@@H]2C)c2cc(CC(=O)[O-])ccc2OC3(C)C)cc1 ZINC000257331157 569378235 /nfs/dbraw/zinc/37/82/35/569378235.db2.gz XRQMSLVUDCMOKW-RBGVZINVSA-N -1 0 410.510 5.133 40 0 HKABRM COc1ccc(OC)c(CCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])c1 ZINC000257332342 569378242 /nfs/dbraw/zinc/37/82/42/569378242.db2.gz XWWSDANHHOUWAZ-UHFFFAOYSA-N -1 0 423.484 5.512 40 0 HKABRM CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CCCC)n1 ZINC000257333960 569378138 /nfs/dbraw/zinc/37/81/38/569378138.db2.gz YDWYNMNAXQJIAN-UHFFFAOYSA-N -1 0 424.516 5.962 40 0 HKABRM CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CCCC)n1 ZINC000257336030 569378186 /nfs/dbraw/zinc/37/81/86/569378186.db2.gz YMVSQKVJJMPPMQ-UHFFFAOYSA-N -1 0 424.516 5.962 40 0 HKABRM CCC[C@@H]1O[C@@H]2c3ccc(C(=O)[O-])cc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 ZINC000257336718 569378141 /nfs/dbraw/zinc/37/81/41/569378141.db2.gz YPSKIBDJNSPPQD-FCIYXJNOSA-N -1 0 414.929 6.239 40 0 HKABRM CCC[C@H]1O[C@H]2c3cc(OCc4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)[O-] ZINC000257337063 569378237 /nfs/dbraw/zinc/37/82/37/569378237.db2.gz YRFPRLGEOHTCSI-FQOCKNPQSA-N -1 0 410.510 5.384 40 0 HKABRM CCC[C@H]1O[C@H]2c3cc(OCc4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)[O-] ZINC000257337064 569378206 /nfs/dbraw/zinc/37/82/06/569378206.db2.gz YRFPRLGEOHTCSI-GNXKAVGDSA-N -1 0 410.510 5.384 40 0 HKABRM CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 ZINC000257337335 569378340 /nfs/dbraw/zinc/37/83/40/569378340.db2.gz YSKKJWZOIUGQRB-UHFFFAOYSA-N -1 0 422.525 5.298 40 0 HKABRM CC(C)Cc1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1ccccc1F ZINC000257337348 569378360 /nfs/dbraw/zinc/37/83/60/569378360.db2.gz YSLJTRGQVSBNQX-UHFFFAOYSA-N -1 0 413.876 6.017 40 0 HKABRM COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(C(=O)[O-])ccc4OC(C)(C)[C@H]3C[C@@H]21 ZINC000257339074 569378323 /nfs/dbraw/zinc/37/83/23/569378323.db2.gz ZACHXYOZTVYHHV-XHRGMSINSA-N -1 0 408.494 5.131 40 0 HKABRM CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)cc1 ZINC000257341610 569378362 /nfs/dbraw/zinc/37/83/62/569378362.db2.gz ZLBJCKZZWCXFOF-MUUNZHRXSA-N -1 0 414.545 6.721 40 0 HKABRM CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)[O-])cc4)c3O2)cc1 ZINC000257341611 569378344 /nfs/dbraw/zinc/37/83/44/569378344.db2.gz ZLBJCKZZWCXFOF-NDEPHWFRSA-N -1 0 414.545 6.721 40 0 HKABRM CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 ZINC000257342393 569378261 /nfs/dbraw/zinc/37/82/61/569378261.db2.gz ZOJOWHGEIKLVOB-UHFFFAOYSA-N -1 0 422.525 5.759 40 0 HKABRM Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3)c(-c3ccccc3)c2c1 ZINC000257344410 569378267 /nfs/dbraw/zinc/37/82/67/569378267.db2.gz ZXBYUXIDXZPRRY-UHFFFAOYSA-N -1 0 416.452 5.009 40 0 HKABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cccc(C(=O)[O-])c4)o3)N21 ZINC000260769216 569379880 /nfs/dbraw/zinc/37/98/80/569379880.db2.gz KNPOPJMDJSIINL-CZAAIQMYSA-N -1 0 419.506 5.019 40 0 HKABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cccc(C(=O)[O-])c4)o3)N21 ZINC000260769219 569379843 /nfs/dbraw/zinc/37/98/43/569379843.db2.gz KNPOPJMDJSIINL-HBGVWJBISA-N -1 0 419.506 5.019 40 0 HKABRM CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)[O-])cc4)o3)N21 ZINC000260784283 569380079 /nfs/dbraw/zinc/38/00/79/569380079.db2.gz VPQWQLNJPNQOEF-CZAAIQMYSA-N -1 0 419.506 5.019 40 0 HKABRM CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)[O-])cc4)o3)N21 ZINC000260784288 569380087 /nfs/dbraw/zinc/38/00/87/569380087.db2.gz VPQWQLNJPNQOEF-HBGVWJBISA-N -1 0 419.506 5.019 40 0 HKABRM C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C(=O)[O-] ZINC000263583650 569380817 /nfs/dbraw/zinc/38/08/17/569380817.db2.gz RCOKTPHMJJQWAQ-LLVKDONJSA-N -1 0 419.321 5.476 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)[O-])CC[C@@H]4[C@H]3CC[C@]21C ZINC000263606769 569380836 /nfs/dbraw/zinc/38/08/36/569380836.db2.gz RGDMWGKNYCFTOQ-JYQNWREZSA-N -1 0 400.647 7.339 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)[O-])CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000263606770 569380746 /nfs/dbraw/zinc/38/07/46/569380746.db2.gz RGDMWGKNYCFTOQ-QFNHNSHFSA-N -1 0 400.647 7.339 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)[O-])CC[C@@H]4[C@@H]3CC[C@]21C ZINC000263606771 569380851 /nfs/dbraw/zinc/38/08/51/569380851.db2.gz RGDMWGKNYCFTOQ-TUCWHNMWSA-N -1 0 400.647 7.339 40 0 HKABRM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)[O-])CC[C@@H]4[C@H]3CC[C@@]21C ZINC000263606772 569380819 /nfs/dbraw/zinc/38/08/19/569380819.db2.gz RGDMWGKNYCFTOQ-ZZQAAORLSA-N -1 0 400.647 7.339 40 0 HKABRM O=C([O-])CCCCn1cc(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21 ZINC000299817328 571049789 /nfs/dbraw/zinc/04/97/89/571049789.db2.gz VTGKQZQQXCKOOD-UHFFFAOYSA-N -1 0 405.881 5.934 40 0 in-vitro HKABRM O=C([O-])c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000312709739 569383443 /nfs/dbraw/zinc/38/34/43/569383443.db2.gz FREYZIQLIGETJA-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM [O-]c1c(Cl)cc(Nc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1Cl ZINC000328990990 569384613 /nfs/dbraw/zinc/38/46/13/569384613.db2.gz IRNWYTNZPGOEGK-UHFFFAOYSA-N -1 0 415.324 5.098 40 0 HKABRM CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329063415 571304755 /nfs/dbraw/zinc/30/47/55/571304755.db2.gz XEDRCYQNLRJTCG-UHFFFAOYSA-N -1 0 403.313 6.110 40 0 HKABRM O=C([O-])c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000380441256 571227699 /nfs/dbraw/zinc/22/76/99/571227699.db2.gz CBFOADGIKNTEPX-UHFFFAOYSA-N -1 0 420.484 5.142 40 0 HKABRM CCOc1cc(COc2ccc(Cl)cc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000408540106 558488339 /nfs/dbraw/zinc/48/83/39/558488339.db2.gz NCDHQUNBQVIZIV-UHFFFAOYSA-N -1 0 412.869 5.595 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408543930 558491397 /nfs/dbraw/zinc/49/13/97/558491397.db2.gz GDGWYJTWYHDOFV-UHFFFAOYSA-N -1 0 414.914 5.010 40 0 HKABRM CCCCc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408547883 558492029 /nfs/dbraw/zinc/49/20/29/558492029.db2.gz OFPAOPAWOAQZCX-UHFFFAOYSA-N -1 0 422.550 5.391 40 0 HKABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000408547888 557370465 /nfs/dbraw/zinc/37/04/65/557370465.db2.gz OHHMSYLSVIAIRD-UHFFFAOYSA-N -1 0 422.550 5.480 40 0 HKABRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C ZINC000408554585 558500415 /nfs/dbraw/zinc/50/04/15/558500415.db2.gz CMHKSBIQFOAWQR-UHFFFAOYSA-N -1 0 417.914 5.640 40 0 HKABRM O=C([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)o1 ZINC000408554944 557445463 /nfs/dbraw/zinc/44/54/63/557445463.db2.gz VUMCXLPIRFGXAH-UHFFFAOYSA-N -1 0 414.792 5.399 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000408555476 558501939 /nfs/dbraw/zinc/50/19/39/558501939.db2.gz AXPYNOCDQOFOLC-UHFFFAOYSA-N -1 0 403.887 5.332 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000408557854 558503257 /nfs/dbraw/zinc/50/32/57/558503257.db2.gz HXGZAKMMBVIIBX-UHFFFAOYSA-N -1 0 417.914 5.119 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000408558043 558503240 /nfs/dbraw/zinc/50/32/40/558503240.db2.gz IBFHIKQYVIHYAJ-UHFFFAOYSA-N -1 0 403.887 5.332 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408558158 557455250 /nfs/dbraw/zinc/45/52/50/557455250.db2.gz IQEMJXJHAFGARE-UHFFFAOYSA-N -1 0 414.232 5.212 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000408560336 557458183 /nfs/dbraw/zinc/45/81/83/557458183.db2.gz OOWJENFCVJRTEK-UHFFFAOYSA-N -1 0 419.955 5.691 40 0 HKABRM O=C(Nc1c(Cl)cccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000408580920 558516028 /nfs/dbraw/zinc/51/60/28/558516028.db2.gz SLWIBXIJWNICAI-UHFFFAOYSA-N -1 0 421.305 5.047 40 0 HKABRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1Cl ZINC000408592285 558528055 /nfs/dbraw/zinc/52/80/55/558528055.db2.gz JUAZWWKXQLBCPO-UHFFFAOYSA-N -1 0 414.232 5.212 40 0 HKABRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1Cl ZINC000408594260 558530807 /nfs/dbraw/zinc/53/08/07/558530807.db2.gz OEJVGTQWOUVJMO-UHFFFAOYSA-N -1 0 403.887 5.332 40 0 HKABRM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000408594288 557512083 /nfs/dbraw/zinc/51/20/83/557512083.db2.gz OHSMFCZICBXATB-UHFFFAOYSA-N -1 0 419.333 5.922 40 0 HKABRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000408597927 558529994 /nfs/dbraw/zinc/52/99/94/558529994.db2.gz WPNYAHTXSNYLSL-UHFFFAOYSA-N -1 0 414.232 5.212 40 0 HKABRM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000408598396 558529887 /nfs/dbraw/zinc/52/98/87/558529887.db2.gz ZUFQGJFRIARLCH-UHFFFAOYSA-N -1 0 414.914 5.277 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc32)c1 ZINC000408602898 558538667 /nfs/dbraw/zinc/53/86/67/558538667.db2.gz BHDVFMYARBSEBF-UHFFFAOYSA-N -1 0 417.892 6.383 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c(Cl)c1Cl ZINC000408603031 558538554 /nfs/dbraw/zinc/53/85/54/558538554.db2.gz DZLXMMAXVSCWKA-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 ZINC000408603576 558538771 /nfs/dbraw/zinc/53/87/71/558538771.db2.gz BSTGGXSEXFJFRD-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408603758 558538884 /nfs/dbraw/zinc/53/88/84/558538884.db2.gz CRBCYUSKCKVTSG-UHFFFAOYSA-N -1 0 415.848 5.377 40 0 HKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000408603785 558538868 /nfs/dbraw/zinc/53/88/68/558538868.db2.gz CTKNTEKXIKBPJZ-UHFFFAOYSA-N -1 0 411.885 5.628 40 0 HKABRM O=C([O-])c1cccc(NCc2cccc(OCc3ccc(Br)cc3)c2)c1 ZINC000408604530 558539022 /nfs/dbraw/zinc/53/90/22/558539022.db2.gz DPYYTFJECDAZJG-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM O=C([O-])c1cccc(NCc2c(OCc3ccccc3F)ccc3ccccc32)c1 ZINC000408604547 558539030 /nfs/dbraw/zinc/53/90/30/558539030.db2.gz DTLWDJVRRYYUKZ-UHFFFAOYSA-N -1 0 401.437 5.868 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408604550 557527163 /nfs/dbraw/zinc/52/71/63/557527163.db2.gz DUNYUCUKLNEZGS-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM O=C([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 ZINC000408604676 558538990 /nfs/dbraw/zinc/53/89/90/558538990.db2.gz FHWBEGPXYPMFBJ-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 ZINC000408605313 558539206 /nfs/dbraw/zinc/53/92/06/558539206.db2.gz GFOAEOQQXCJPGL-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM O=C([O-])c1cccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc32)c1 ZINC000408605396 558539139 /nfs/dbraw/zinc/53/91/39/558539139.db2.gz GXUCITWIQGZOTP-UHFFFAOYSA-N -1 0 401.437 5.868 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000408606225 558539180 /nfs/dbraw/zinc/53/91/80/558539180.db2.gz HSCMOYWBSISPDI-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM O=C([O-])c1cccc(NCc2ccccc2OCc2ccc(Br)cc2)c1 ZINC000408606427 558539355 /nfs/dbraw/zinc/53/93/55/558539355.db2.gz IRWBHZNVBUBBQX-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1cccc(Cl)c1 ZINC000408607220 558539462 /nfs/dbraw/zinc/53/94/62/558539462.db2.gz JCQFAKNZVVXZGJ-UHFFFAOYSA-N -1 0 411.885 5.628 40 0 HKABRM Cc1ccc(COc2c(Cl)cc(CNc3cccc(C(=O)[O-])c3)cc2Cl)cc1 ZINC000408607244 558539388 /nfs/dbraw/zinc/53/93/88/558539388.db2.gz JHDVJYBGSUTBFL-UHFFFAOYSA-N -1 0 416.304 6.191 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 ZINC000408607279 558539448 /nfs/dbraw/zinc/53/94/48/558539448.db2.gz JPTQKRGFOJVOFD-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000408607350 558539663 /nfs/dbraw/zinc/53/96/63/558539663.db2.gz KBVVQSBPIHICCY-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408608367 558539901 /nfs/dbraw/zinc/53/99/01/558539901.db2.gz LIBIUODWOQTTQQ-UHFFFAOYSA-N -1 0 411.885 5.628 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000408608382 557531990 /nfs/dbraw/zinc/53/19/90/557531990.db2.gz LJOCHDHGNKJTEY-UHFFFAOYSA-N -1 0 420.267 6.022 40 0 HKABRM O=C([O-])c1cccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)c1 ZINC000408609220 557532380 /nfs/dbraw/zinc/53/23/80/557532380.db2.gz MIEIVKFMAXCXNL-UHFFFAOYSA-N -1 0 401.437 5.868 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000408609397 558535040 /nfs/dbraw/zinc/53/50/40/558535040.db2.gz NECAVGXMMDNTFC-UHFFFAOYSA-N -1 0 417.892 6.383 40 0 HKABRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000408610963 558535599 /nfs/dbraw/zinc/53/55/99/558535599.db2.gz PFPMTWVKSZIHME-UHFFFAOYSA-N -1 0 411.885 5.628 40 0 HKABRM O=C([O-])c1cccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc32)c1 ZINC000408611069 558535792 /nfs/dbraw/zinc/53/57/92/558535792.db2.gz PZEOJQVPLCENEO-UHFFFAOYSA-N -1 0 417.892 6.383 40 0 HKABRM O=C([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408611075 557534303 /nfs/dbraw/zinc/53/43/03/557534303.db2.gz QCHACPOYGHTRJS-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408611104 557534308 /nfs/dbraw/zinc/53/43/08/557534308.db2.gz QHVKNTGPGDMNCY-UHFFFAOYSA-N -1 0 411.885 5.546 40 0 HKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1cccc2ccccc21 ZINC000408611642 558537150 /nfs/dbraw/zinc/53/71/50/558537150.db2.gz QLLKXGBLBTUBBZ-UHFFFAOYSA-N -1 0 413.473 5.738 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC000408613453 558537959 /nfs/dbraw/zinc/53/79/59/558537959.db2.gz UJVYMYHFWQWUID-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408613480 558537847 /nfs/dbraw/zinc/53/78/47/558537847.db2.gz UNXDRSIVFOJDAK-UHFFFAOYSA-N -1 0 415.848 5.377 40 0 HKABRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000408613506 558537894 /nfs/dbraw/zinc/53/78/94/558537894.db2.gz UUNWJXOQOGFOBI-UHFFFAOYSA-N -1 0 424.305 5.595 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1 ZINC000408613826 558538069 /nfs/dbraw/zinc/53/80/69/558538069.db2.gz WCVCZJMDMOEVJT-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408613835 558538056 /nfs/dbraw/zinc/53/80/56/558538056.db2.gz WGMQCGMRNJJTTJ-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 ZINC000408613851 558538151 /nfs/dbraw/zinc/53/81/51/558538151.db2.gz WNFILNRRGBRFIP-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccccc1F ZINC000408613958 558538414 /nfs/dbraw/zinc/53/84/14/558538414.db2.gz WXKRCFZJVWDJOJ-UHFFFAOYSA-N -1 0 415.848 5.377 40 0 HKABRM O=C([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000408613986 558538363 /nfs/dbraw/zinc/53/83/63/558538363.db2.gz XCUBZUIILZCVMO-UHFFFAOYSA-N -1 0 417.892 6.383 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000408614026 558538631 /nfs/dbraw/zinc/53/86/31/558538631.db2.gz XIXRPLIVFBWFEV-UHFFFAOYSA-N -1 0 420.267 6.022 40 0 HKABRM O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000408614075 558535031 /nfs/dbraw/zinc/53/50/31/558535031.db2.gz YBMPPLBWQIIKIZ-UHFFFAOYSA-N -1 0 420.267 6.022 40 0 HKABRM O=C([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408614166 558543113 /nfs/dbraw/zinc/54/31/13/558543113.db2.gz ZGJGIOOBPNKGFL-UHFFFAOYSA-N -1 0 402.277 5.883 40 0 HKABRM COc1c(F)c(F)c(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(F)c1F ZINC000408624019 557552061 /nfs/dbraw/zinc/55/20/61/557552061.db2.gz WMSCUISLRYZAGQ-UHFFFAOYSA-N -1 0 404.772 5.075 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])n[nH]1 ZINC000408630560 558541870 /nfs/dbraw/zinc/54/18/70/558541870.db2.gz BUBKOYHFZJNHTO-ZROIWOOFSA-N -1 0 424.309 5.542 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000408630574 558541993 /nfs/dbraw/zinc/54/19/93/558541993.db2.gz BZJZFJJCLSDJIQ-DHDCSXOGSA-N -1 0 424.309 5.542 40 0 HKABRM Cc1nnc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc32)C(=O)[O-])o1 ZINC000408630720 557568660 /nfs/dbraw/zinc/56/86/60/557568660.db2.gz CFHCXTWFUUURSN-BKUYFWCQSA-N -1 0 418.474 5.328 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)[O-])n[nH]1 ZINC000408630822 558542093 /nfs/dbraw/zinc/54/20/93/558542093.db2.gz CYUAHHVYWLZMDR-DHDCSXOGSA-N -1 0 424.309 5.542 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])n[nH]1 ZINC000408631245 558542714 /nfs/dbraw/zinc/54/27/14/558542714.db2.gz GVOJUWTYFJKCDO-YBEGLDIGSA-N -1 0 403.891 5.197 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n[nH]1 ZINC000408631384 558542690 /nfs/dbraw/zinc/54/26/90/558542690.db2.gz IGWXMXBPDXIEBF-GDNBJRDFSA-N -1 0 423.416 5.254 40 0 HKABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccccc2Cl)C(=O)[O-])n[nH]1 ZINC000408631608 558542583 /nfs/dbraw/zinc/54/25/83/558542583.db2.gz KSBFRVZUGMXUNR-NVNXTCNLSA-N -1 0 422.293 5.005 40 0 HKABRM CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br ZINC000408631631 558542723 /nfs/dbraw/zinc/54/27/23/558542723.db2.gz ADCADMNHVUCDCT-YBEGLDIGSA-N -1 0 420.284 5.207 40 0 HKABRM COc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Cl ZINC000408631634 558542670 /nfs/dbraw/zinc/54/26/70/558542670.db2.gz ADCMLNYJLLOJGW-OQLLNIDSSA-N -1 0 423.277 5.270 40 0 HKABRM COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])o2)cc1 ZINC000408631719 558542636 /nfs/dbraw/zinc/54/26/36/558542636.db2.gz BBXBWNCRTNFHMA-UNOMPAQXSA-N -1 0 421.430 5.092 40 0 HKABRM O=C([O-])/C(=C/c1ccccc1OCc1ccc(F)cc1)Sc1nc2ccccc2o1 ZINC000408631727 558542700 /nfs/dbraw/zinc/54/27/00/558542700.db2.gz BGEQEXMIRAPFMF-BKUYFWCQSA-N -1 0 421.449 5.764 40 0 HKABRM CCc1nnc(S/C(=C\c2c3cc(OC)ccc3[nH]c2-c2ccccc2)C(=O)[O-])o1 ZINC000408631904 558542653 /nfs/dbraw/zinc/54/26/53/558542653.db2.gz NCPAYYREVLERGN-PDGQHHTCSA-N -1 0 421.478 5.007 40 0 HKABRM Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)[O-])o1 ZINC000408632041 558542648 /nfs/dbraw/zinc/54/26/48/558542648.db2.gz FOAVIPCYXOMMMP-JAIQZWGSSA-N -1 0 423.469 5.046 40 0 HKABRM Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)[O-])o1 ZINC000408632058 558542596 /nfs/dbraw/zinc/54/25/96/558542596.db2.gz JJLSTPYGRNOBRE-JAIQZWGSSA-N -1 0 423.469 5.046 40 0 HKABRM COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(Cl)cc2)C(=O)[O-])n[nH]1 ZINC000408632123 557576322 /nfs/dbraw/zinc/57/63/22/557576322.db2.gz NOXCPFANONDILT-NVNXTCNLSA-N -1 0 422.293 5.005 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[O-])n[nH]1 ZINC000408632137 557576398 /nfs/dbraw/zinc/57/63/98/557576398.db2.gz NSDJTRDCRYEAFH-UVTDQMKNSA-N -1 0 421.931 5.373 40 0 HKABRM CCn1c(S/C(=C\c2ccc(Cl)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408632337 558542881 /nfs/dbraw/zinc/54/28/81/558542881.db2.gz DNSRYGIDNQHDCS-WJDWOHSUSA-N -1 0 420.321 5.490 40 0 HKABRM Cc1nnc(S/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C(=O)[O-])o1 ZINC000408632475 558542843 /nfs/dbraw/zinc/54/28/43/558542843.db2.gz QLCJPPYVBYYRGT-BKUYFWCQSA-N -1 0 418.474 5.328 40 0 HKABRM CCc1nnc(S/C(=C\c2c3cccc(OC)c3[nH]c2-c2ccccc2)C(=O)[O-])o1 ZINC000408632532 558542903 /nfs/dbraw/zinc/54/29/03/558542903.db2.gz QYNUDOZRPFRINR-ATVHPVEESA-N -1 0 421.478 5.007 40 0 HKABRM CCCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[O-])n[nH]1 ZINC000408632567 557582495 /nfs/dbraw/zinc/58/24/95/557582495.db2.gz RKOGJBGVQCRROK-DHDCSXOGSA-N -1 0 424.309 5.542 40 0 HKABRM Cc1nnc(S/C(=C\c2ccccc2OCc2cccc3ccccc32)C(=O)[O-])o1 ZINC000408632568 557582434 /nfs/dbraw/zinc/58/24/34/557582434.db2.gz RLCDJIVMZLHXMB-BKUYFWCQSA-N -1 0 418.474 5.328 40 0 HKABRM O=C([O-])/C(=C/c1ccccc1OCc1ccc(F)cc1)Sc1nc2ccccc2[nH]1 ZINC000408632691 557573836 /nfs/dbraw/zinc/57/38/36/557573836.db2.gz GXXBORQVSSIXHC-BKUYFWCQSA-N -1 0 420.465 5.499 40 0 HKABRM Cn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21 ZINC000408632950 557575762 /nfs/dbraw/zinc/57/57/62/557575762.db2.gz HYSOQQBIMAVXOV-YVLHZVERSA-N -1 0 411.870 5.100 40 0 HKABRM COc1ccc(Cl)cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000408632987 558547370 /nfs/dbraw/zinc/54/73/70/558547370.db2.gz INGHCDKDWUTFDN-DHDCSXOGSA-N -1 0 422.293 5.005 40 0 HKABRM COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])o2)c1 ZINC000408632989 558547326 /nfs/dbraw/zinc/54/73/26/558547326.db2.gz IOAQPGCGBJHRHM-UNOMPAQXSA-N -1 0 421.430 5.092 40 0 HKABRM Cc1nnc(S/C(=C\c2cccc(OCc3cccc4ccccc43)c2)C(=O)[O-])o1 ZINC000408633043 558547404 /nfs/dbraw/zinc/54/74/04/558547404.db2.gz VGPVWOPFDBJILT-BKUYFWCQSA-N -1 0 418.474 5.328 40 0 HKABRM O=C([O-])/C(=C/c1ccc(OCc2ccccc2F)cc1)Sc1nc2ccccc2[nH]1 ZINC000408633258 557585930 /nfs/dbraw/zinc/58/59/30/557585930.db2.gz JKZQBQDVGVDQDC-BKUYFWCQSA-N -1 0 420.465 5.499 40 0 HKABRM COc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000408633298 557586102 /nfs/dbraw/zinc/58/61/02/557586102.db2.gz JTLJHWOMKVKLCQ-DHDCSXOGSA-N -1 0 423.277 5.270 40 0 HKABRM COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Cl ZINC000408633348 558547649 /nfs/dbraw/zinc/54/76/49/558547649.db2.gz KBGGWPWDFCBBCK-OQLLNIDSSA-N -1 0 422.293 5.005 40 0 HKABRM CCn1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc21 ZINC000408633650 558547852 /nfs/dbraw/zinc/54/78/52/558547852.db2.gz LFDXFKSZJDDGEJ-WQRHYEAKSA-N -1 0 424.913 5.318 40 0 HKABRM CCn1c(S/C(=C\c2ccccc2Cl)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408633661 558547864 /nfs/dbraw/zinc/54/78/64/558547864.db2.gz LJLIDMMWQOCELT-WJDWOHSUSA-N -1 0 420.321 5.490 40 0 HKABRM O=C([O-])/C(=C/c1ccc(OCc2ccccc2F)cc1)Sc1nc2ccccc2o1 ZINC000408634118 558548033 /nfs/dbraw/zinc/54/80/33/558548033.db2.gz PGOADSUOMUJCFD-BKUYFWCQSA-N -1 0 421.449 5.764 40 0 HKABRM O=C([O-])/C(=C/c1ccccc1OCc1ccccc1F)Sc1nc2ccccc2o1 ZINC000408634123 558548094 /nfs/dbraw/zinc/54/80/94/558548094.db2.gz PJKLYRNRYNYBQT-BKUYFWCQSA-N -1 0 421.449 5.764 40 0 HKABRM CCn1c(S/C(=C\c2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000408634445 558545078 /nfs/dbraw/zinc/54/50/78/558545078.db2.gz RIRPMAYENZCNRB-WQRHYEAKSA-N -1 0 424.913 5.318 40 0 HKABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000408634455 557604895 /nfs/dbraw/zinc/60/48/95/557604895.db2.gz UVPKFZHWXBFJMV-NVNXTCNLSA-N -1 0 423.277 5.270 40 0 HKABRM O=C([O-])/C(=C/c1ccccc1OCc1ccccc1F)Sc1nc2ccccc2[nH]1 ZINC000408634579 557605421 /nfs/dbraw/zinc/60/54/21/557605421.db2.gz RVKUUQXYSWVITD-BKUYFWCQSA-N -1 0 420.465 5.499 40 0 HKABRM O=C([O-])/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)Sc1nc2ccccc2[nH]1 ZINC000408634597 558545163 /nfs/dbraw/zinc/54/51/63/558545163.db2.gz SEJJXFGBYLEEFQ-BKUYFWCQSA-N -1 0 420.465 5.499 40 0 HKABRM CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1 ZINC000408634825 558545491 /nfs/dbraw/zinc/54/54/91/558545491.db2.gz VDZDMEGTQWGYPD-PTNGSMBKSA-N -1 0 419.890 5.047 40 0 HKABRM COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(Cl)c1OC(C)C ZINC000408634975 557598001 /nfs/dbraw/zinc/59/80/01/557598001.db2.gz WAJGLTIVYWMGDC-YVLHZVERSA-N -1 0 419.886 5.495 40 0 HKABRM COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2Cl)C(=O)[O-])o1 ZINC000408635058 557598167 /nfs/dbraw/zinc/59/81/67/557598167.db2.gz YJAQTDRWLDNGQS-NVNXTCNLSA-N -1 0 423.277 5.270 40 0 HKABRM O=C([O-])/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)Sc1nc2ccccc2o1 ZINC000408635153 558545362 /nfs/dbraw/zinc/54/53/62/558545362.db2.gz XIBVCXYJDINHER-BKUYFWCQSA-N -1 0 421.449 5.764 40 0 HKABRM Cc1c(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc2n1C ZINC000408635355 557599545 /nfs/dbraw/zinc/59/95/45/557599545.db2.gz ZTQWKKOSOIHRJJ-WQRHYEAKSA-N -1 0 424.913 5.143 40 0 HKABRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1F ZINC000408696146 558564697 /nfs/dbraw/zinc/56/46/97/558564697.db2.gz WTCIAIBYZVDPKK-UHFFFAOYSA-N -1 0 407.850 5.081 40 0 HKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000408700067 558576610 /nfs/dbraw/zinc/57/66/10/558576610.db2.gz ANWPMVINDDDEKX-UHFFFAOYSA-N -1 0 407.841 5.292 40 0 HKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1 ZINC000408700075 558576688 /nfs/dbraw/zinc/57/66/88/558576688.db2.gz ASAIAQBZLYHLLZ-UHFFFAOYSA-N -1 0 411.523 5.198 40 0 HKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000408700722 558577999 /nfs/dbraw/zinc/57/79/99/558577999.db2.gz KWKQCSYGPSHITJ-UHFFFAOYSA-N -1 0 413.564 5.771 40 0 HKABRM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(C(C)C)ccc3OC)ccc21 ZINC000408701012 558575750 /nfs/dbraw/zinc/57/57/50/558575750.db2.gz PZEKNILCJXSXMA-UHFFFAOYSA-N -1 0 422.550 5.747 40 0 HKABRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408701097 558575719 /nfs/dbraw/zinc/57/57/19/558575719.db2.gz RHOWKLDCHSXPDP-UHFFFAOYSA-N -1 0 407.841 5.292 40 0 HKABRM CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccc(F)cc1 ZINC000408735800 558595922 /nfs/dbraw/zinc/59/59/22/558595922.db2.gz XXBFRMIAJSGIDU-UHFFFAOYSA-N -1 0 424.497 5.798 40 0 HKABRM O=C([O-])c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 ZINC000408749538 558605952 /nfs/dbraw/zinc/60/59/52/558605952.db2.gz HJWDAQIHWBZRKJ-UHFFFAOYSA-N -1 0 420.515 5.539 40 0 HKABRM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408815480 558651450 /nfs/dbraw/zinc/65/14/50/558651450.db2.gz QJWAWRXRHIFSLM-AWKYKOFISA-N -1 0 421.542 5.439 40 0 HKABRM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408815485 560644327 /nfs/dbraw/zinc/64/43/27/560644327.db2.gz QJWAWRXRHIFSLM-CABAHIPWSA-N -1 0 421.542 5.439 40 0 HKABRM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408815488 558651403 /nfs/dbraw/zinc/65/14/03/558651403.db2.gz QJWAWRXRHIFSLM-CVMPDPLCSA-N -1 0 421.542 5.439 40 0 HKABRM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1Nc1ccccc1 ZINC000408815490 558651347 /nfs/dbraw/zinc/65/13/47/558651347.db2.gz QJWAWRXRHIFSLM-YLXKOEIFSA-N -1 0 421.542 5.439 40 0 HKABRM Cc1sc2nc(-c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)[nH]c(=O)c2c1C ZINC000408816818 560644558 /nfs/dbraw/zinc/64/45/58/560644558.db2.gz KGDOKDPIEUVBLW-UHFFFAOYSA-N -1 0 400.843 5.292 40 0 HKABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000408818658 560645000 /nfs/dbraw/zinc/64/50/00/560645000.db2.gz YHIFQSFLVJEBJR-UNOMPAQXSA-N -1 0 405.431 5.194 40 0 HKABRM Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000408822328 560645191 /nfs/dbraw/zinc/64/51/91/560645191.db2.gz LHAWQMOQFHESOM-AICRDVKUSA-N -1 0 411.501 5.388 40 0 HKABRM Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)[O-] ZINC000408822331 558656618 /nfs/dbraw/zinc/65/66/18/558656618.db2.gz LHAWQMOQFHESOM-HFOXQMJASA-N -1 0 411.501 5.388 40 0 HKABRM Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000408822332 558656548 /nfs/dbraw/zinc/65/65/48/558656548.db2.gz LHAWQMOQFHESOM-WREZULKGSA-N -1 0 411.501 5.388 40 0 HKABRM Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000408822334 558656529 /nfs/dbraw/zinc/65/65/29/558656529.db2.gz LHAWQMOQFHESOM-ZCAIMPEWSA-N -1 0 411.501 5.388 40 0 HKABRM CCOc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)[O-])cc1 ZINC000408879084 571308991 /nfs/dbraw/zinc/30/89/91/571308991.db2.gz FFPUNFGYAQKKQW-UHFFFAOYSA-N -1 0 422.428 5.598 40 0 HKABRM Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])c1 ZINC000408879405 558712181 /nfs/dbraw/zinc/71/21/81/558712181.db2.gz GAMGLHYEGINPRA-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM CCc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])cc1 ZINC000408880410 571309717 /nfs/dbraw/zinc/30/97/17/571309717.db2.gz JSDXDYDRSXGOJS-UHFFFAOYSA-N -1 0 407.322 6.050 40 0 HKABRM Cc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])c(C)c1 ZINC000408882837 571308013 /nfs/dbraw/zinc/30/80/13/571308013.db2.gz RDPUSNKGODWYMN-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM Cc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1C ZINC000408883128 571307938 /nfs/dbraw/zinc/30/79/38/571307938.db2.gz SXPOPIVIBPFCRW-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM CCOc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])cc1 ZINC000408884398 571308950 /nfs/dbraw/zinc/30/89/50/571308950.db2.gz WZQYBQMEBUCDGL-UHFFFAOYSA-N -1 0 423.321 5.886 40 0 HKABRM CCOc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408884689 571308958 /nfs/dbraw/zinc/30/89/58/571308958.db2.gz YDEYHGIQKMYKDB-UHFFFAOYSA-N -1 0 423.321 5.886 40 0 HKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])c(C)c1 ZINC000408885478 571307963 /nfs/dbraw/zinc/30/79/63/571307963.db2.gz ANPYKKLTZIMVFV-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM O=C([O-])Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Cl)cc1 ZINC000408886165 571307947 /nfs/dbraw/zinc/30/79/47/571307947.db2.gz IOKAWIYGADAULM-UHFFFAOYSA-N -1 0 413.713 6.141 40 0 HKABRM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 ZINC000408887264 571307855 /nfs/dbraw/zinc/30/78/55/571307855.db2.gz NGZQLVWHVNXUJL-UHFFFAOYSA-N -1 0 413.713 6.141 40 0 HKABRM Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])cc1C ZINC000408888099 571307936 /nfs/dbraw/zinc/30/79/36/571307936.db2.gz SMLSVXSNXJNAGM-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])c(C)c1 ZINC000408888234 571308025 /nfs/dbraw/zinc/30/80/25/571308025.db2.gz UEVRFOOGVIQIRW-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])c1 ZINC000408888566 571308130 /nfs/dbraw/zinc/30/81/30/571308130.db2.gz XEYMOZVVXOMAIM-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM O=C([O-])Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000408888585 571307844 /nfs/dbraw/zinc/30/78/44/571307844.db2.gz XNHVHSULZCPXDC-UHFFFAOYSA-N -1 0 413.713 6.141 40 0 HKABRM O=C([O-])Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 ZINC000408889072 560650177 /nfs/dbraw/zinc/65/01/77/560650177.db2.gz BKNGXHVCYBISIA-UHFFFAOYSA-N -1 0 423.719 5.597 40 0 HKABRM CCOc1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])cc1 ZINC000408889197 571308973 /nfs/dbraw/zinc/30/89/73/571308973.db2.gz FMHWUAPHWPILEZ-UHFFFAOYSA-N -1 0 404.491 5.733 40 0 HKABRM CCc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408889296 571309766 /nfs/dbraw/zinc/30/97/66/571309766.db2.gz CEPXQGWZGAPHIU-UHFFFAOYSA-N -1 0 407.322 6.050 40 0 HKABRM Cc1ccc(C)c(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])c1 ZINC000408889880 571308077 /nfs/dbraw/zinc/30/80/77/571308077.db2.gz KJDDSMFFDXAUCU-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM Cc1ccc(C)c(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)[O-])c1 ZINC000408890488 571308082 /nfs/dbraw/zinc/30/80/82/571308082.db2.gz UOSIHSBOBYKXMH-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM O=C([O-])Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000408890983 571307829 /nfs/dbraw/zinc/30/78/29/571307829.db2.gz JODJCKMMRNLFRI-UHFFFAOYSA-N -1 0 413.713 6.141 40 0 HKABRM CC(C)c1ccc(-c2nc(Nc3cccc4ccccc43)sc2CC(=O)[O-])cc1 ZINC000408891368 571306517 /nfs/dbraw/zinc/30/65/17/571306517.db2.gz PNFRBMVEKUZAQK-UHFFFAOYSA-N -1 0 402.519 6.457 40 0 HKABRM CC(C)c1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408891434 571306504 /nfs/dbraw/zinc/30/65/04/571306504.db2.gz QLLSKDMMDYQBOJ-UHFFFAOYSA-N -1 0 421.349 6.611 40 0 HKABRM CCOc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)[O-])cc1 ZINC000408892557 571308995 /nfs/dbraw/zinc/30/89/95/571308995.db2.gz CMVOUCYOTGGMCG-UHFFFAOYSA-N -1 0 423.321 5.886 40 0 HKABRM CCc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408893169 571309778 /nfs/dbraw/zinc/30/97/78/571309778.db2.gz CWFAZFUPJCREJG-UHFFFAOYSA-N -1 0 407.322 6.050 40 0 HKABRM Cc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1C ZINC000408893878 571307958 /nfs/dbraw/zinc/30/79/58/571307958.db2.gz GOWJQSKCMZNPIX-UHFFFAOYSA-N -1 0 407.322 6.104 40 0 HKABRM CCOc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408894034 571308969 /nfs/dbraw/zinc/30/89/69/571308969.db2.gz IJAOWCQSCBFZGA-UHFFFAOYSA-N -1 0 423.321 5.886 40 0 HKABRM CC(C)c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)[O-])cc1 ZINC000408897648 571306533 /nfs/dbraw/zinc/30/65/33/571306533.db2.gz ZGNYIYBYUWIYOD-UHFFFAOYSA-N -1 0 421.349 6.611 40 0 HKABRM O=C([O-])c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 ZINC000408969072 560659624 /nfs/dbraw/zinc/65/96/24/560659624.db2.gz GULSMUHMHXPZMU-QPEQYQDCSA-N -1 0 418.257 5.251 40 0 HKABRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1cccc2ccccc21 ZINC000408970211 558787990 /nfs/dbraw/zinc/78/79/90/558787990.db2.gz CPWADQBHGOQWPK-UHFFFAOYSA-N -1 0 418.880 5.363 40 0 HKABRM CCc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2cccc3ccccc32)cc1 ZINC000408971401 558799640 /nfs/dbraw/zinc/79/96/40/558799640.db2.gz NUCGXRKKPZWFBR-UHFFFAOYSA-N -1 0 412.489 5.272 40 0 HKABRM O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCCC5)o2)cc1 ZINC000408986412 558837818 /nfs/dbraw/zinc/83/78/18/558837818.db2.gz CFDKKDNGTCYQJE-UHFFFAOYSA-N -1 0 420.490 5.681 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1Cc3ccccc3[C@H]21 ZINC000408987648 558839511 /nfs/dbraw/zinc/83/95/11/558839511.db2.gz BNBWQJNJHDXNCR-CEWLAPEOSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408987652 560661877 /nfs/dbraw/zinc/66/18/77/560661877.db2.gz BNBWQJNJHDXNCR-HLAWJBBLSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408987654 558839475 /nfs/dbraw/zinc/83/94/75/558839475.db2.gz BNBWQJNJHDXNCR-HMXCVIKNSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408987657 558839476 /nfs/dbraw/zinc/83/94/76/558839476.db2.gz BNBWQJNJHDXNCR-SESVDKBCSA-N -1 0 410.300 6.163 40 0 HKABRM O=c1[nH]c(-c2ccc([O-])c(Br)c2)nc2sc3c(c21)CCCCCC3 ZINC000408988591 558841040 /nfs/dbraw/zinc/84/10/40/558841040.db2.gz IKTOGFFCKNLZDS-UHFFFAOYSA-N -1 0 405.317 5.191 40 0 HKABRM O=C([O-])c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)o1 ZINC000408990095 560662069 /nfs/dbraw/zinc/66/20/69/560662069.db2.gz MKNYDEJSZBVZLK-UHFFFAOYSA-N -1 0 420.490 5.681 40 0 HKABRM O=C([O-])c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)o1 ZINC000408991965 558851821 /nfs/dbraw/zinc/85/18/21/558851821.db2.gz RUSAFJLJWBKEOI-UHFFFAOYSA-N -1 0 406.463 5.291 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408992595 560662333 /nfs/dbraw/zinc/66/23/33/560662333.db2.gz APFXCWIGIGBQIV-BULFRSBZSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408992597 560662296 /nfs/dbraw/zinc/66/22/96/560662296.db2.gz APFXCWIGIGBQIV-HSQYWUDLSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408992602 558852077 /nfs/dbraw/zinc/85/20/77/558852077.db2.gz APFXCWIGIGBQIV-VOQZNFBZSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408992604 560662361 /nfs/dbraw/zinc/66/23/61/560662361.db2.gz APFXCWIGIGBQIV-WTNAPCKOSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408992651 560662574 /nfs/dbraw/zinc/66/25/74/560662574.db2.gz ASZBRNSLKIJENY-BAGYTPMASA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408992653 558852027 /nfs/dbraw/zinc/85/20/27/558852027.db2.gz ASZBRNSLKIJENY-BVSLBCMMSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408992654 558852044 /nfs/dbraw/zinc/85/20/44/558852044.db2.gz ASZBRNSLKIJENY-HJNYFJLDSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 ZINC000408992656 560662502 /nfs/dbraw/zinc/66/25/02/560662502.db2.gz ASZBRNSLKIJENY-ILWGZMRPSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408993637 558852557 /nfs/dbraw/zinc/85/25/57/558852557.db2.gz DUELBAKYOFUDOV-NJDAHSKKSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408993640 560663035 /nfs/dbraw/zinc/66/30/35/560663035.db2.gz DUELBAKYOFUDOV-PCCBWWKXSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc3ccccc3[C@H]21 ZINC000408993644 560663061 /nfs/dbraw/zinc/66/30/61/560663061.db2.gz DUELBAKYOFUDOV-PWRODBHTSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408993646 558852570 /nfs/dbraw/zinc/85/25/70/558852570.db2.gz DUELBAKYOFUDOV-QHAWAJNXSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408994524 560663201 /nfs/dbraw/zinc/66/32/01/560663201.db2.gz HXNKXLZIAREFGQ-NJDAHSKKSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408994527 560663199 /nfs/dbraw/zinc/66/31/99/560663199.db2.gz HXNKXLZIAREFGQ-PCCBWWKXSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1Cc3ccccc3[C@H]21 ZINC000408994530 560663161 /nfs/dbraw/zinc/66/31/61/560663161.db2.gz HXNKXLZIAREFGQ-PWRODBHTSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408994533 560663136 /nfs/dbraw/zinc/66/31/36/560663136.db2.gz HXNKXLZIAREFGQ-QHAWAJNXSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000408994662 558852705 /nfs/dbraw/zinc/85/27/05/558852705.db2.gz IJUNNVMAHVBRTQ-BVYCBKJFSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000408994663 560663182 /nfs/dbraw/zinc/66/31/82/560663182.db2.gz IJUNNVMAHVBRTQ-COPCDDAFSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000408994666 558852723 /nfs/dbraw/zinc/85/27/23/558852723.db2.gz IJUNNVMAHVBRTQ-NYVOZVTQSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000408994668 558852802 /nfs/dbraw/zinc/85/28/02/558852802.db2.gz IJUNNVMAHVBRTQ-YUXAGFNASA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408994757 560663260 /nfs/dbraw/zinc/66/32/60/560663260.db2.gz IPQDLLTVOSEUJY-FQLPYIGMSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408994758 558852733 /nfs/dbraw/zinc/85/27/33/558852733.db2.gz IPQDLLTVOSEUJY-KGPYPHOUSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408994759 560663265 /nfs/dbraw/zinc/66/32/65/560663265.db2.gz IPQDLLTVOSEUJY-SAAIGDAKSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408994760 560663269 /nfs/dbraw/zinc/66/32/69/560663269.db2.gz IPQDLLTVOSEUJY-WIRXVTQYSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408995932 560662598 /nfs/dbraw/zinc/66/25/98/560662598.db2.gz CBWCMMXMHXYGTQ-NJDAHSKKSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408995934 560662580 /nfs/dbraw/zinc/66/25/80/560662580.db2.gz CBWCMMXMHXYGTQ-PCCBWWKXSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1Cc3ccccc3[C@H]21 ZINC000408995936 560662622 /nfs/dbraw/zinc/66/26/22/560662622.db2.gz CBWCMMXMHXYGTQ-PWRODBHTSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408995937 560662635 /nfs/dbraw/zinc/66/26/35/560662635.db2.gz CBWCMMXMHXYGTQ-QHAWAJNXSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408996807 560662818 /nfs/dbraw/zinc/66/28/18/560662818.db2.gz NEWGNOKRFFDPQQ-BVYCBKJFSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000408996811 560662811 /nfs/dbraw/zinc/66/28/11/560662811.db2.gz NEWGNOKRFFDPQQ-COPCDDAFSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000408996815 558853042 /nfs/dbraw/zinc/85/30/42/558853042.db2.gz NEWGNOKRFFDPQQ-NYVOZVTQSA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408996818 558853079 /nfs/dbraw/zinc/85/30/79/558853079.db2.gz NEWGNOKRFFDPQQ-YUXAGFNASA-N -1 0 409.407 5.875 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000408996843 560662813 /nfs/dbraw/zinc/66/28/13/560662813.db2.gz FFVFSFYQIHMUFI-BAGYTPMASA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408996846 558853040 /nfs/dbraw/zinc/85/30/40/558853040.db2.gz FFVFSFYQIHMUFI-BVSLBCMMSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408996849 558853091 /nfs/dbraw/zinc/85/30/91/558853091.db2.gz FFVFSFYQIHMUFI-HJNYFJLDSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000408996853 560662816 /nfs/dbraw/zinc/66/28/16/560662816.db2.gz FFVFSFYQIHMUFI-ILWGZMRPSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc3c4c(cccc41)CC3)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408997472 560662936 /nfs/dbraw/zinc/66/29/36/560662936.db2.gz GRKBUWMOWVADMQ-DOEKTCAHSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc3c4c(cccc41)CC3)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408997473 560662946 /nfs/dbraw/zinc/66/29/46/560662946.db2.gz GRKBUWMOWVADMQ-FXVJXKIMSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc3c4c(cccc41)CC3)[C@H]1Cc3ccccc3[C@H]21 ZINC000408997474 558853550 /nfs/dbraw/zinc/85/35/50/558853550.db2.gz GRKBUWMOWVADMQ-WYMJOSIYSA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1ccc3c4c(cccc41)CC3)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408997475 558853598 /nfs/dbraw/zinc/85/35/98/558853598.db2.gz GRKBUWMOWVADMQ-ZRJLEYOISA-N -1 0 417.508 6.108 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1Cc3ccccc3[C@@H]21 ZINC000408999853 560663710 /nfs/dbraw/zinc/66/37/10/560663710.db2.gz SOBUFXGZDCOXQM-BPXKWBHBSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1Cc3ccccc3[C@H]21 ZINC000408999856 560663722 /nfs/dbraw/zinc/66/37/22/560663722.db2.gz SOBUFXGZDCOXQM-NBCNXNJRSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1Cc3ccccc3[C@H]21 ZINC000408999859 560663691 /nfs/dbraw/zinc/66/36/91/560663691.db2.gz SOBUFXGZDCOXQM-PERKRYKHSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 ZINC000408999864 558854569 /nfs/dbraw/zinc/85/45/69/558854569.db2.gz SOBUFXGZDCOXQM-WVBUVRCRSA-N -1 0 410.300 6.163 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409000386 560663749 /nfs/dbraw/zinc/66/37/49/560663749.db2.gz SVLXFYGPUFHENC-BAGYTPMASA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409000391 560663746 /nfs/dbraw/zinc/66/37/46/560663746.db2.gz SVLXFYGPUFHENC-BVSLBCMMSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000409000393 560663789 /nfs/dbraw/zinc/66/37/89/560663789.db2.gz SVLXFYGPUFHENC-HJNYFJLDSA-N -1 0 420.306 5.618 40 0 HKABRM O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000409000394 560663793 /nfs/dbraw/zinc/66/37/93/560663793.db2.gz SVLXFYGPUFHENC-ILWGZMRPSA-N -1 0 420.306 5.618 40 0 HKABRM CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000409018694 560666139 /nfs/dbraw/zinc/66/61/39/560666139.db2.gz YMSJLGBYCNNTGY-JSJZUPIVSA-N -1 0 405.859 5.133 40 0 HKABRM CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000409018697 558861487 /nfs/dbraw/zinc/86/14/87/558861487.db2.gz YMSJLGBYCNNTGY-VCBXAZPMSA-N -1 0 405.859 5.133 40 0 HKABRM O=C([O-])c1ccc(COc2ccccc2/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000409085557 558928796 /nfs/dbraw/zinc/92/87/96/558928796.db2.gz DJNJMOOQABKLHW-BKUYFWCQSA-N -1 0 403.459 5.049 40 0 HKABRM O=C([O-])c1ccc(COc2ccc(/C=C3\Sc4ccccc4NC3=O)cc2)cc1 ZINC000409086464 560674778 /nfs/dbraw/zinc/67/47/78/560674778.db2.gz DTVZJOKLLANILT-BKUYFWCQSA-N -1 0 403.459 5.049 40 0 HKABRM O=C([O-])c1cccc(COc2ccc(/C=C3\Sc4ccccc4NC3=O)cc2)c1 ZINC000409104292 558933770 /nfs/dbraw/zinc/93/37/70/558933770.db2.gz HIBXWLOXSCLMFN-BKUYFWCQSA-N -1 0 403.459 5.049 40 0 HKABRM CCCN1c2ccccc2/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409118107 560679169 /nfs/dbraw/zinc/67/91/69/560679169.db2.gz SLTSEFYEDSSHNB-JWGURIENSA-N -1 0 413.473 5.261 40 0 HKABRM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cccc2cccc(Cl)c21 ZINC000409119937 558948570 /nfs/dbraw/zinc/94/85/70/558948570.db2.gz URLSMTZXMGPPJR-UHFFFAOYSA-N -1 0 423.943 5.149 40 0 HKABRM O=C([O-])c1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 ZINC000409121820 560679839 /nfs/dbraw/zinc/67/98/39/560679839.db2.gz WQXSDPHDCYWXBQ-UHFFFAOYSA-N -1 0 412.283 5.338 40 0 HKABRM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 ZINC000409123562 558958507 /nfs/dbraw/zinc/95/85/07/558958507.db2.gz CRWDPVGJCUZOEU-XDHOZWIPSA-N -1 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ZINC000584567166 571305404 /nfs/dbraw/zinc/30/54/04/571305404.db2.gz WYVGOSUDBSSDLC-OKILXGFUSA-N -1 0 412.440 5.637 40 0 HKABRM CC[C@@H]1C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@]3(C)CC[C@H]2[C@]2(C)CC[C@H](O)C[C@H]12 ZINC000584578898 569027242 /nfs/dbraw/zinc/02/72/42/569027242.db2.gz LHSZAKRHUYJKIU-CRVZMCOYSA-N -1 0 418.618 5.322 40 0 HKABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3ccccc3c2F)cc1 ZINC000585091706 569029852 /nfs/dbraw/zinc/02/98/52/569029852.db2.gz BOTLQTQGVIRLNM-UHFFFAOYSA-N -1 0 413.448 5.520 40 0 HKABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000585091712 569029846 /nfs/dbraw/zinc/02/98/46/569029846.db2.gz BWNHRCJRCATROW-UHFFFAOYSA-N -1 0 403.409 5.113 40 0 HKABRM Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC000585091713 569029842 /nfs/dbraw/zinc/02/98/42/569029842.db2.gz CBZKAMYMSWBESM-UHFFFAOYSA-N -1 0 410.473 5.084 40 0 HKABRM O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)c2cccc(-c3ccccc3)n2)cc1 ZINC000585091719 569029817 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COc1cccc(CC[C@@H]2O[C@@H]3c4c(C)ccc(C)c4OC(C)(C)[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000585264753 569030068 /nfs/dbraw/zinc/03/00/68/569030068.db2.gz LFBVIIXOEIUAPB-XBJMDHIQSA-N -1 0 424.537 5.263 40 0 HKABRM Cc1ccc(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c(OCC(=O)[O-])c1 ZINC000585264766 569030101 /nfs/dbraw/zinc/03/01/01/569030101.db2.gz LPGMKZSTWZMBPM-UHFFFAOYSA-N -1 0 416.452 5.176 40 0 HKABRM CCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)[O-])C[C@@H]1C(C)(C)O2 ZINC000585264779 569030090 /nfs/dbraw/zinc/03/00/90/569030090.db2.gz MGWJZHPSYFIFTG-BESBDSHLSA-N -1 0 410.510 5.036 40 0 HKABRM CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)[O-])C[C@@H]1C(C)(C)O2 ZINC000585264799 569030104 /nfs/dbraw/zinc/03/01/04/569030104.db2.gz NUUZLWWDZBTTEX-HOUBMWHVSA-N -1 0 408.538 5.761 40 0 HKABRM CC(C)Oc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)[O-])[C@H](CCc3ccccc3)O[C@H]21 ZINC000585264800 569030107 /nfs/dbraw/zinc/03/01/07/569030107.db2.gz NUVJLSSFXVXBAW-VVSUKSJXSA-N -1 0 424.537 5.425 40 0 HKABRM CCc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)[O-])[C@H](CCc3cccc(F)c3)O[C@H]21 ZINC000585264831 569030080 /nfs/dbraw/zinc/03/00/80/569030080.db2.gz PXAYMIPEDOZPSS-BESBDSHLSA-N -1 0 412.501 5.339 40 0 HKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585264863 559112371 /nfs/dbraw/zinc/11/23/71/559112371.db2.gz AAAHRAYWIHLPNO-UHFFFAOYSA-N -1 0 416.304 6.132 40 0 HKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccc(C)cc3C)n2)c1 ZINC000585264908 569030077 /nfs/dbraw/zinc/03/00/77/569030077.db2.gz BDOAAJMPWNJXPM-UHFFFAOYSA-N -1 0 421.493 5.438 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2cc(C)ccc2C)n1 ZINC000585264942 569030069 /nfs/dbraw/zinc/03/00/69/569030069.db2.gz BYPGTIZINGZZGI-UHFFFAOYSA-N -1 0 411.885 5.695 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2C)n1 ZINC000585264975 569030089 /nfs/dbraw/zinc/03/00/89/569030089.db2.gz CZUSDLRJAYUHLZ-UHFFFAOYSA-N -1 0 421.493 5.440 40 0 HKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccc(C)c(C)c3)n2)c1 ZINC000585264979 569030102 /nfs/dbraw/zinc/03/01/02/569030102.db2.gz AAJMTENQJWDFAD-UHFFFAOYSA-N -1 0 405.494 5.738 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2)n1 ZINC000585264981 569030079 /nfs/dbraw/zinc/03/00/79/569030079.db2.gz DDQAPCZPOHOWKZ-UHFFFAOYSA-N -1 0 418.276 5.731 40 0 HKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3ccc(Cl)cc3)cc2C(=O)[O-])c(C)c1 ZINC000585264989 569030096 /nfs/dbraw/zinc/03/00/96/569030096.db2.gz AIOKSSJWRZFWOZ-UHFFFAOYSA-N -1 0 423.940 6.495 40 0 HKABRM CCOc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2)n1 ZINC000585264990 569030108 /nfs/dbraw/zinc/03/01/08/569030108.db2.gz DFZKOELLFSFHPI-UHFFFAOYSA-N -1 0 413.857 5.087 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2cc(C)ccc2C)n1 ZINC000585264991 569030067 /nfs/dbraw/zinc/03/00/67/569030067.db2.gz AMDFLJMOGDHTDZ-UHFFFAOYSA-N -1 0 405.494 5.740 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000585265001 569030105 /nfs/dbraw/zinc/03/01/05/569030105.db2.gz BIXIRPGPVWJLKL-UHFFFAOYSA-N -1 0 411.885 5.776 40 0 HKABRM CCCc1nc(COc2ccc(C)cc2C)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265037 569030099 /nfs/dbraw/zinc/03/00/99/569030099.db2.gz CVLLHRMANKESMN-UHFFFAOYSA-N -1 0 409.913 6.249 40 0 HKABRM Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@@H](C(=O)[O-])[C@H](CCc3cccc(F)c3)O[C@H]21 ZINC000585265039 569030095 /nfs/dbraw/zinc/03/00/95/569030095.db2.gz SEXWGZIYIQOMHC-BESBDSHLSA-N -1 0 412.501 5.393 40 0 HKABRM Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@H](C(=O)[O-])[C@H](CCc3cccc(F)c3)O[C@H]21 ZINC000585265040 569030084 /nfs/dbraw/zinc/03/00/84/569030084.db2.gz SEXWGZIYIQOMHC-VVSUKSJXSA-N -1 0 412.501 5.393 40 0 HKABRM CCCOc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(CCc2ccc(C)cc2)n1 ZINC000585265044 569030112 /nfs/dbraw/zinc/03/01/12/569030112.db2.gz FRMBOPIHJQQBSM-UHFFFAOYSA-N -1 0 405.494 5.338 40 0 HKABRM CCCc1nc(COc2cccc(Cl)c2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265051 569030085 /nfs/dbraw/zinc/03/00/85/569030085.db2.gz DMIIHNXWKCIYQC-UHFFFAOYSA-N -1 0 416.304 6.285 40 0 HKABRM CCCc1ccc(OCc2nc(CCC)c(-c3ccc(Cl)cc3)cc2C(=O)[O-])cc1 ZINC000585265052 569030093 /nfs/dbraw/zinc/03/00/93/569030093.db2.gz DUIIUSXCUHXITL-UHFFFAOYSA-N -1 0 423.940 6.584 40 0 HKABRM CC(C)c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265064 569030083 /nfs/dbraw/zinc/03/00/83/569030083.db2.gz FERCCCPTWNIBNE-UHFFFAOYSA-N -1 0 416.304 6.456 40 0 HKABRM CCOc1cc(OC)ccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)c(C)c2)n1 ZINC000585265089 569030097 /nfs/dbraw/zinc/03/00/97/569030097.db2.gz GNDYKPMBXPCVFC-UHFFFAOYSA-N -1 0 407.466 5.050 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2)n1 ZINC000585265112 569030074 /nfs/dbraw/zinc/03/00/74/569030074.db2.gz GSBCMFPAHVERPO-UHFFFAOYSA-N -1 0 407.466 5.132 40 0 HKABRM CCCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)[O-])C[C@@H]1C(C)(C)O2 ZINC000585265118 569030094 /nfs/dbraw/zinc/03/00/94/569030094.db2.gz VOMKMIMRDZXVIE-HOUBMWHVSA-N -1 0 424.537 5.426 40 0 HKABRM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)[O-])[C@H](CCc3ccccc3)O[C@H]21 ZINC000585265133 569030100 /nfs/dbraw/zinc/03/01/00/569030100.db2.gz WCQFNEAMPMPDEB-BPBCIEFSSA-N -1 0 410.510 5.036 40 0 HKABRM Cc1ccc(C)c(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585265143 559112196 /nfs/dbraw/zinc/11/21/96/559112196.db2.gz HPVSCRHVDHMORT-UHFFFAOYSA-N -1 0 405.494 5.738 40 0 HKABRM Cc1ccc(C)c(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])c1 ZINC000585265144 569030063 /nfs/dbraw/zinc/03/00/63/569030063.db2.gz HQRAPMKBIWPSEU-UHFFFAOYSA-N -1 0 423.940 6.495 40 0 HKABRM CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(CCC2CCCCC2)n1 ZINC000585265147 569030103 /nfs/dbraw/zinc/03/01/03/569030103.db2.gz HKAVBYJREKGERF-UHFFFAOYSA-N -1 0 401.934 6.400 40 0 HKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccc(Cl)cc3)n2)c1 ZINC000585265164 569030082 /nfs/dbraw/zinc/03/00/82/569030082.db2.gz HWCDAHTXZZELRK-UHFFFAOYSA-N -1 0 411.885 5.775 40 0 HKABRM Cc1cccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])c1 ZINC000585265171 569030075 /nfs/dbraw/zinc/03/00/75/569030075.db2.gz HXRZHHPKTQCJIC-UHFFFAOYSA-N -1 0 409.913 6.186 40 0 HKABRM Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(CCc3ccccc3)n2)c1 ZINC000585265174 569030086 /nfs/dbraw/zinc/03/00/86/569030086.db2.gz IBLSEEWMBCNCMO-UHFFFAOYSA-N -1 0 423.512 6.119 40 0 HKABRM Cc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccccc3C(C)C)n2)c1 ZINC000585265187 569030072 /nfs/dbraw/zinc/03/00/72/569030072.db2.gz ICYRKFOKYQFNQZ-UHFFFAOYSA-N -1 0 419.521 6.245 40 0 HKABRM CCCc1nc(CCC2CCCC2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265196 569030113 /nfs/dbraw/zinc/03/01/13/569030113.db2.gz IPKUDVLPRWSKRP-UHFFFAOYSA-N -1 0 416.359 6.285 40 0 HKABRM CCCc1ccc(OCc2nc(CCC)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1 ZINC000585265217 569030139 /nfs/dbraw/zinc/03/01/39/569030139.db2.gz IZMNPMRVMZCYGE-UHFFFAOYSA-N -1 0 423.940 6.584 40 0 HKABRM CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)[O-])C[C@@H]1C(C)(C)O2 ZINC000585265234 569030151 /nfs/dbraw/zinc/03/01/51/569030151.db2.gz ZNWBGXCXYRKWKK-HOUBMWHVSA-N -1 0 408.538 5.590 40 0 HKABRM CC(C)Cc1nc(Cc2ccccc2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265247 569030129 /nfs/dbraw/zinc/03/01/29/569030129.db2.gz KHYWGWAWCIQFLD-UHFFFAOYSA-N -1 0 424.338 5.999 40 0 HKABRM Cc1ccc(CCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1 ZINC000585265316 569030125 /nfs/dbraw/zinc/03/01/25/569030125.db2.gz LKLHMFBUINJEJV-UHFFFAOYSA-N -1 0 407.941 6.392 40 0 HKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccc(C)c(C)c3)n2)c1 ZINC000585265318 569030148 /nfs/dbraw/zinc/03/01/48/569030148.db2.gz JFJZCYOWIBYQTL-UHFFFAOYSA-N -1 0 421.493 5.438 40 0 HKABRM CCCc1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc1 ZINC000585265319 569030122 /nfs/dbraw/zinc/03/01/22/569030122.db2.gz LLJUADJAOZPCPC-UHFFFAOYSA-N -1 0 421.512 6.316 40 0 HKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(COc3ccc(C)cc3)n2)c1 ZINC000585265325 569030164 /nfs/dbraw/zinc/03/01/64/569030164.db2.gz LNXKLLYXFDDVPB-UHFFFAOYSA-N -1 0 407.466 5.130 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2ccc(C)c(C)c2)n1 ZINC000585265330 569030121 /nfs/dbraw/zinc/03/01/21/569030121.db2.gz LSXLNEUYHAEXJA-UHFFFAOYSA-N -1 0 405.494 5.740 40 0 HKABRM CCCc1nc(COc2ccc(C)c(C)c2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265336 569030158 /nfs/dbraw/zinc/03/01/58/569030158.db2.gz LVSJGLPRKXKRPR-UHFFFAOYSA-N -1 0 409.913 6.249 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2ccc(-c3cccc(C(=O)[O-])c3)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265342 569030155 /nfs/dbraw/zinc/03/01/55/569030155.db2.gz AMFSVUNGQKZPMB-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2ccc(-c3cccc(C(=O)[O-])c3)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265344 569030044 /nfs/dbraw/zinc/03/00/44/569030044.db2.gz AMFSVUNGQKZPMB-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4ccccc4C(=O)[O-])cc3O2)cc1 ZINC000585265346 569030019 /nfs/dbraw/zinc/03/00/19/569030019.db2.gz ANGHNCUNKVXIBN-MUUNZHRXSA-N -1 0 414.545 6.577 40 0 HKABRM CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4ccccc4C(=O)[O-])cc3O2)cc1 ZINC000585265350 569030051 /nfs/dbraw/zinc/03/00/51/569030051.db2.gz ANGHNCUNKVXIBN-NDEPHWFRSA-N -1 0 414.545 6.577 40 0 HKABRM CCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2cccc(Cl)c2Cl)n1 ZINC000585265365 569030018 /nfs/dbraw/zinc/03/00/18/569030018.db2.gz KRKSWWZDKRUSGJ-UHFFFAOYSA-N -1 0 418.276 5.731 40 0 HKABRM COc1ccc(-c2ccc(C(=O)[O-])c(COc3cc(C)ccc3C)n2)c(OC(C)C)c1 ZINC000585265366 569030048 /nfs/dbraw/zinc/03/00/48/569030048.db2.gz KSYKHVZDPILFLR-UHFFFAOYSA-N -1 0 421.493 5.438 40 0 HKABRM COc1ccc(OC)c(CCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585265377 569030035 /nfs/dbraw/zinc/03/00/35/569030035.db2.gz LBHRFTXVEMKCFV-UHFFFAOYSA-N -1 0 421.493 5.036 40 0 HKABRM CCOc1ccc(C[C@@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)cc1 ZINC000585265384 559112380 /nfs/dbraw/zinc/11/23/80/559112380.db2.gz BDGXJTZTIXYZOH-AREMUKBSSA-N -1 0 402.490 5.777 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)c(C)c2)n1 ZINC000585265387 569030037 /nfs/dbraw/zinc/03/00/37/569030037.db2.gz LSJPRCRYQDGWMS-UHFFFAOYSA-N -1 0 411.885 5.695 40 0 HKABRM CCOc1ccc(C[C@]2(C)CCc3cc(-c4ccc(C(=O)[O-])cc4)ccc3O2)cc1 ZINC000585265389 559112375 /nfs/dbraw/zinc/11/23/75/559112375.db2.gz BDGXJTZTIXYZOH-SANMLTNESA-N -1 0 402.490 5.777 40 0 HKABRM CCCc1nc(Cc2ccc(F)cc2Cl)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265408 559112374 /nfs/dbraw/zinc/11/23/74/559112374.db2.gz ODYJLZHUUMTMQD-UHFFFAOYSA-N -1 0 418.295 6.436 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3cccc(C(=O)[O-])c3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265409 569030031 /nfs/dbraw/zinc/03/00/31/569030031.db2.gz BPXSGVBCHOTVAF-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3cccc(C(=O)[O-])c3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265410 569030008 /nfs/dbraw/zinc/03/00/08/569030008.db2.gz BPXSGVBCHOTVAF-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)Cc1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265416 569030047 /nfs/dbraw/zinc/03/00/47/569030047.db2.gz ORLMZDSIBNKMER-UHFFFAOYSA-N -1 0 414.332 6.543 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265419 559112368 /nfs/dbraw/zinc/11/23/68/559112368.db2.gz CWPWLZGIUGROPA-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM Cc1ccc(C)c(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])c1 ZINC000585265422 569030029 /nfs/dbraw/zinc/03/00/29/569030029.db2.gz PBTZFFRKJCCNKI-UHFFFAOYSA-N -1 0 409.913 6.419 40 0 HKABRM CC(C)Cc1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265427 569030026 /nfs/dbraw/zinc/03/00/26/569030026.db2.gz POSUGTFCJQWZCF-UHFFFAOYSA-N -1 0 416.359 6.141 40 0 HKABRM CCOc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000585265432 569030045 /nfs/dbraw/zinc/03/00/45/569030045.db2.gz DHKICSKHMGJNRP-AREMUKBSSA-N -1 0 402.490 5.777 40 0 HKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1C ZINC000585265433 569030038 /nfs/dbraw/zinc/03/00/38/569030038.db2.gz PROYZWKLIDYSFQ-UHFFFAOYSA-N -1 0 423.940 6.495 40 0 HKABRM CCOc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000585265435 569030034 /nfs/dbraw/zinc/03/00/34/569030034.db2.gz DHKICSKHMGJNRP-SANMLTNESA-N -1 0 402.490 5.777 40 0 HKABRM CCCc1nc(COc2ccc(C)c(C)c2)c(C(=O)[O-])cc1-c1ccc(Cl)cc1 ZINC000585265445 569030009 /nfs/dbraw/zinc/03/00/09/569030009.db2.gz QEGFXPKNURJCBK-UHFFFAOYSA-N -1 0 409.913 6.249 40 0 HKABRM CCCc1nc(CCc2ccccc2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265453 569030020 /nfs/dbraw/zinc/03/00/20/569030020.db2.gz QOBUCGJLGACHKF-UHFFFAOYSA-N -1 0 424.338 5.947 40 0 HKABRM CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccccc2C(C)C)n1 ZINC000585265478 569030046 /nfs/dbraw/zinc/03/00/46/569030046.db2.gz MVZLUBNHTDDNLZ-UHFFFAOYSA-N -1 0 405.494 5.938 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2ccc(-c3cccc(C(=O)[O-])c3)cc2[C@@H]2OCCC[C@H]21 ZINC000585265482 569030025 /nfs/dbraw/zinc/03/00/25/569030025.db2.gz FTQAANYTYNZYBA-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2ccc(-c3cccc(C(=O)[O-])c3)cc2[C@@H]2OCCC[C@H]21 ZINC000585265487 569030023 /nfs/dbraw/zinc/03/00/23/569030023.db2.gz FTQAANYTYNZYBA-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM Cc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])c(C)c1 ZINC000585265514 569030017 /nfs/dbraw/zinc/03/00/17/569030017.db2.gz RUDAWGCMVQENOH-UHFFFAOYSA-N -1 0 409.913 6.419 40 0 HKABRM Cc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1C ZINC000585265516 559112382 /nfs/dbraw/zinc/11/23/82/559112382.db2.gz RVBLWAIJMAKWGT-UHFFFAOYSA-N -1 0 409.913 6.419 40 0 HKABRM CC(C)c1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265517 569030006 /nfs/dbraw/zinc/03/00/06/569030006.db2.gz RVEZSQSGKOPFAH-UHFFFAOYSA-N -1 0 416.304 6.456 40 0 HKABRM CCOc1ccc(C[C@@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265519 559112405 /nfs/dbraw/zinc/11/24/05/559112405.db2.gz GNDYOVFFURXEMI-AREMUKBSSA-N -1 0 402.490 5.777 40 0 HKABRM CCOc1ccc(C[C@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265521 569030007 /nfs/dbraw/zinc/03/00/07/569030007.db2.gz GNDYOVFFURXEMI-SANMLTNESA-N -1 0 402.490 5.777 40 0 HKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1 ZINC000585265529 569030071 /nfs/dbraw/zinc/03/00/71/569030071.db2.gz RXRVZLODHQAEDL-UHFFFAOYSA-N -1 0 409.913 6.186 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccccc3C(=O)[O-])cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265545 569030106 /nfs/dbraw/zinc/03/01/06/569030106.db2.gz IKFZHKISIKNJED-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)c1nc(Cc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265556 569030081 /nfs/dbraw/zinc/03/00/81/569030081.db2.gz SRMLRHYNOPJWOM-UHFFFAOYSA-N -1 0 400.305 6.468 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3ccccc3C(=O)[O-])cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265559 569030088 /nfs/dbraw/zinc/03/00/88/569030088.db2.gz JIWQSTNQSGETCP-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3ccccc3C(=O)[O-])cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265562 569030098 /nfs/dbraw/zinc/03/00/98/569030098.db2.gz JIWQSTNQSGETCP-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3ccc(C(=O)[O-])cc3)ccc2[C@@H]2OCCC[C@H]21 ZINC000585265573 569030062 /nfs/dbraw/zinc/03/00/62/569030062.db2.gz KGAJMXNTSYGRMS-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccc(C(=O)[O-])cc3)ccc2[C@@H]2OCCC[C@H]21 ZINC000585265574 569030111 /nfs/dbraw/zinc/03/01/11/569030111.db2.gz KGAJMXNTSYGRMS-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)c1ccccc1OCc1nc(C(C)C)c(-c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000585265576 569030073 /nfs/dbraw/zinc/03/00/73/569030073.db2.gz TUEXYWXNQJNCKI-UHFFFAOYSA-N -1 0 423.940 6.926 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585265577 569030076 /nfs/dbraw/zinc/03/00/76/569030076.db2.gz OFXVUUWYOBEAJO-UHFFFAOYSA-N -1 0 411.885 5.488 40 0 HKABRM Cc1ccc(OCc2nc(CC(C)C)c(-c3ccc(Cl)cc3)cc2C(=O)[O-])cc1C ZINC000585265602 569030132 /nfs/dbraw/zinc/03/01/32/569030132.db2.gz UPEHWTPFAIRWIK-UHFFFAOYSA-N -1 0 423.940 6.495 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2ccccc2C(C)C)n1 ZINC000585265612 569030145 /nfs/dbraw/zinc/03/01/45/569030145.db2.gz UXPXBWVBVJNELN-UHFFFAOYSA-N -1 0 419.521 6.246 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3ccccc3C(=O)[O-])ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265619 569030149 /nfs/dbraw/zinc/03/01/49/569030149.db2.gz MEUHSKROHWGFKL-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccccc3C(=O)[O-])ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265621 569030142 /nfs/dbraw/zinc/03/01/42/569030142.db2.gz MEUHSKROHWGFKL-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3cccc(C(=O)[O-])c3)cccc2[C@@H]2OCCC[C@H]21 ZINC000585265627 569030119 /nfs/dbraw/zinc/03/01/19/569030119.db2.gz NBADFERONBHAOD-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM Cc1ccc(CCc2nc(-c3ccccc3OCc3ccccc3)ccc2C(=O)[O-])cc1 ZINC000585265628 569030156 /nfs/dbraw/zinc/03/01/56/569030156.db2.gz POIFSZQGIDTIQQ-UHFFFAOYSA-N -1 0 423.512 6.119 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3cccc(C(=O)[O-])c3)cccc2[C@@H]2OCCC[C@H]21 ZINC000585265629 569030127 /nfs/dbraw/zinc/03/01/27/569030127.db2.gz NBADFERONBHAOD-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM Cc1ccc(CCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265634 569030144 /nfs/dbraw/zinc/03/01/44/569030144.db2.gz PWRZQJOALILUDM-UHFFFAOYSA-N -1 0 409.913 5.981 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3ccc(C(=O)[O-])cc3)cccc2[C@@H]2OCCC[C@H]21 ZINC000585265635 569030116 /nfs/dbraw/zinc/03/01/16/569030116.db2.gz NEFHUKIDRYLQAC-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CCCc1nc(COc2ccc(Cl)cc2)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265640 569030115 /nfs/dbraw/zinc/03/01/15/569030115.db2.gz VYJRETLIRNGLER-UHFFFAOYSA-N -1 0 416.304 6.285 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(COc2cc(C)ccc2C)n1 ZINC000585265649 569030118 /nfs/dbraw/zinc/03/01/18/569030118.db2.gz WOIQRLVDAGYNIQ-UHFFFAOYSA-N -1 0 421.493 5.440 40 0 HKABRM CC(C)c1nc(CC2CCCC2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265653 569030154 /nfs/dbraw/zinc/03/01/54/569030154.db2.gz WVZBLXBENHYQBC-UHFFFAOYSA-N -1 0 402.332 6.065 40 0 HKABRM Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(CCC3CCCC3)n2)c1 ZINC000585265655 569030133 /nfs/dbraw/zinc/03/01/33/569030133.db2.gz WXBPCWLJJVIAHX-UHFFFAOYSA-N -1 0 415.533 6.457 40 0 HKABRM Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)[O-])c(CC3CCCC3)n2)c1 ZINC000585265659 569030163 /nfs/dbraw/zinc/03/01/63/569030163.db2.gz WYSYNBFBVRRNIJ-UHFFFAOYSA-N -1 0 401.506 6.067 40 0 HKABRM CCCc1nc(Cc2ccccc2)c(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000585265667 569030124 /nfs/dbraw/zinc/03/01/24/569030124.db2.gz XGTHISGGYWTVTL-UHFFFAOYSA-N -1 0 410.311 5.753 40 0 HKABRM CCCc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)[O-])cc1 ZINC000585265670 569030152 /nfs/dbraw/zinc/03/01/52/569030152.db2.gz XJARPXMPPFYZNH-UHFFFAOYSA-N -1 0 423.940 6.755 40 0 HKABRM CCCc1ccc(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265675 569030157 /nfs/dbraw/zinc/03/01/57/569030157.db2.gz XLMRYNSJUAVRNS-UHFFFAOYSA-N -1 0 419.521 6.074 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(COc2ccc(CCC)cc2)n1 ZINC000585265682 569030162 /nfs/dbraw/zinc/03/01/62/569030162.db2.gz XUJZUVBSMWYLQU-UHFFFAOYSA-N -1 0 419.521 6.076 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2C)n1 ZINC000585265686 569030137 /nfs/dbraw/zinc/03/01/37/569030137.db2.gz XYOGHJUDFJAOEO-UHFFFAOYSA-N -1 0 421.493 5.440 40 0 HKABRM CCCOc1ccc(C)cc1-c1ccc(C(=O)[O-])c(Cc2ccc(F)cc2Cl)n1 ZINC000585265692 569030150 /nfs/dbraw/zinc/03/01/50/569030150.db2.gz YCNUMHUGCOBHDF-UHFFFAOYSA-N -1 0 413.876 5.927 40 0 HKABRM CCCc1nc(COc2cc(C)ccc2C)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265707 569030126 /nfs/dbraw/zinc/03/01/26/569030126.db2.gz YQFYWPLBHSHOSW-UHFFFAOYSA-N -1 0 409.913 6.249 40 0 HKABRM CCCc1nc(COc2ccccc2C(C)C)c(C(=O)[O-])cc1-c1cccc(Cl)c1 ZINC000585265722 569030128 /nfs/dbraw/zinc/03/01/28/569030128.db2.gz ZTJHCSHLDHNUKG-UHFFFAOYSA-N -1 0 423.940 6.755 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3ccc(C(=O)[O-])cc3)cccc2[C@@H]2OCCC[C@H]21 ZINC000585265731 569030167 /nfs/dbraw/zinc/03/01/67/569030167.db2.gz NEFHUKIDRYLQAC-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3ccccc3C(=O)[O-])cccc2[C@@H]2OCCC[C@H]21 ZINC000585265733 569030196 /nfs/dbraw/zinc/03/01/96/569030196.db2.gz NSKGUXYAWFQNNW-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3ccccc3C(=O)[O-])cccc2[C@@H]2OCCC[C@H]21 ZINC000585265738 569030185 /nfs/dbraw/zinc/03/01/85/569030185.db2.gz NSKGUXYAWFQNNW-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccccc3C(=O)[O-])cc2[C@@H]2OCCC[C@H]21 ZINC000585265752 569030197 /nfs/dbraw/zinc/03/01/97/569030197.db2.gz PEDSDAYVRWFGDT-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccccc3C(=O)[O-])cc2[C@@H]2OCCC[C@H]21 ZINC000585265755 569030168 /nfs/dbraw/zinc/03/01/68/569030168.db2.gz PEDSDAYVRWFGDT-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM COc1ccc(-c2ccc(C(=O)[O-])c(COc3ccc(C)cc3)n2)c(OC(C)C)c1 ZINC000585265764 569030172 /nfs/dbraw/zinc/03/01/72/569030172.db2.gz QYVKACYAZOPSNR-UHFFFAOYSA-N -1 0 407.466 5.130 40 0 HKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(Cc3ccc(Cl)cc3)n2)c1 ZINC000585265765 569030171 /nfs/dbraw/zinc/03/01/71/569030171.db2.gz QYYPBDMRGOKNRI-UHFFFAOYSA-N -1 0 411.885 5.487 40 0 HKABRM CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265782 569030170 /nfs/dbraw/zinc/03/01/70/569030170.db2.gz QBNFHQWUIDJRLB-MUUNZHRXSA-N -1 0 414.545 6.577 40 0 HKABRM CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4ccc(C(=O)[O-])cc4)cc3O2)cc1 ZINC000585265786 569030182 /nfs/dbraw/zinc/03/01/82/569030182.db2.gz QBNFHQWUIDJRLB-NDEPHWFRSA-N -1 0 414.545 6.577 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3ccc(C(=O)[O-])cc3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265830 569030217 /nfs/dbraw/zinc/03/02/17/569030217.db2.gz RFGYGDWSEORNED-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccc(C(=O)[O-])cc3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265832 569030189 /nfs/dbraw/zinc/03/01/89/569030189.db2.gz RFGYGDWSEORNED-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2)n1 ZINC000585265833 569030205 /nfs/dbraw/zinc/03/02/05/569030205.db2.gz SDOPWJXORCJAHN-UHFFFAOYSA-N -1 0 411.885 5.776 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3cccc(C(=O)[O-])c3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265834 569030192 /nfs/dbraw/zinc/03/01/92/569030192.db2.gz RMDWNJBMQSHBIW-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3cccc(C(=O)[O-])c3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265836 569030223 /nfs/dbraw/zinc/03/02/23/569030223.db2.gz RMDWNJBMQSHBIW-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM Cc1cccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)[O-])c1 ZINC000585265852 559112525 /nfs/dbraw/zinc/11/25/25/559112525.db2.gz SPLUQXWZENPBHO-UHFFFAOYSA-N -1 0 411.885 5.775 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2c(-c3ccc(C(=O)[O-])cc3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265855 569030210 /nfs/dbraw/zinc/03/02/10/569030210.db2.gz RXXYCAIZRDUWGU-BIIVWMMYSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2c(-c3ccc(C(=O)[O-])cc3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000585265857 569030187 /nfs/dbraw/zinc/03/01/87/569030187.db2.gz RXXYCAIZRDUWGU-UBJKNDRWSA-N -1 0 420.549 6.806 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3cccc(C(=O)[O-])c3)ccc2[C@@H]2OCCC[C@H]21 ZINC000585265875 569030198 /nfs/dbraw/zinc/03/01/98/569030198.db2.gz UOYULHPOXQERDK-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3cccc(C(=O)[O-])c3)ccc2[C@@H]2OCCC[C@H]21 ZINC000585265876 569030186 /nfs/dbraw/zinc/03/01/86/569030186.db2.gz UOYULHPOXQERDK-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM COc1ccc(OC(C)C)c(-c2ccc(C(=O)[O-])c(CCc3ccc(C)cc3)n2)c1 ZINC000585265915 569030211 /nfs/dbraw/zinc/03/02/11/569030211.db2.gz USNYSLHWKQQHGW-UHFFFAOYSA-N -1 0 405.494 5.336 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@@H]2OCCC[C@H]21 ZINC000585265919 569030215 /nfs/dbraw/zinc/03/02/15/569030215.db2.gz WYSGYYNEAGLQML-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@@H]2OCCC[C@H]21 ZINC000585265920 569030216 /nfs/dbraw/zinc/03/02/16/569030216.db2.gz WYSGYYNEAGLQML-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM CCOc1ccc(C[C@@]2(C)CCc3cc(-c4cccc(C(=O)[O-])c4)ccc3O2)cc1 ZINC000585265934 569030173 /nfs/dbraw/zinc/03/01/73/569030173.db2.gz YJCGTPCLHQRHAO-AREMUKBSSA-N -1 0 402.490 5.777 40 0 HKABRM CCOc1ccc(C[C@]2(C)CCc3cc(-c4cccc(C(=O)[O-])c4)ccc3O2)cc1 ZINC000585265935 569030169 /nfs/dbraw/zinc/03/01/69/569030169.db2.gz YJCGTPCLHQRHAO-SANMLTNESA-N -1 0 402.490 5.777 40 0 HKABRM CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000585265952 569030212 /nfs/dbraw/zinc/03/02/12/569030212.db2.gz ZJIBWESHCABOAE-MUUNZHRXSA-N -1 0 414.545 6.577 40 0 HKABRM CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)[O-])c4)cc3O2)cc1 ZINC000585265954 569030219 /nfs/dbraw/zinc/03/02/19/569030219.db2.gz ZJIBWESHCABOAE-NDEPHWFRSA-N -1 0 414.545 6.577 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(COc2ccc(C)c(C)c2)n1 ZINC000585265955 569030166 /nfs/dbraw/zinc/03/01/66/569030166.db2.gz VGYJWFLLERYTSX-UHFFFAOYSA-N -1 0 421.493 5.440 40 0 HKABRM CC(C)=CCC[C@]1(C)Oc2cc(-c3ccccc3C(=O)[O-])ccc2[C@@H]2OCCC[C@H]21 ZINC000585265961 569030195 /nfs/dbraw/zinc/03/01/95/569030195.db2.gz ZSSWRLQHKPXSOC-CWDLOFLHSA-N -1 0 406.522 6.417 40 0 HKABRM CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccccc3C(=O)[O-])ccc2[C@@H]2OCCC[C@H]21 ZINC000585265963 569030190 /nfs/dbraw/zinc/03/01/90/569030190.db2.gz ZSSWRLQHKPXSOC-KTIWRFAQSA-N -1 0 406.522 6.417 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585265974 569030221 /nfs/dbraw/zinc/03/02/21/569030221.db2.gz WJUJQSHAALINLL-UHFFFAOYSA-N -1 0 402.277 5.743 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2ccc(C)cc2C)n1 ZINC000585265976 569030222 /nfs/dbraw/zinc/03/02/22/569030222.db2.gz WNKBSKBRWXWJCT-UHFFFAOYSA-N -1 0 411.885 5.695 40 0 HKABRM CCCOc1ccc(OC)cc1-c1ccc(C(=O)[O-])c(CCc2ccc(C)cc2)n1 ZINC000585265984 569030181 /nfs/dbraw/zinc/03/01/81/569030181.db2.gz WXKBVCXZIBODAG-UHFFFAOYSA-N -1 0 405.494 5.338 40 0 HKABRM Cc1ccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)[O-])cc1 ZINC000585265986 569030191 /nfs/dbraw/zinc/03/01/91/569030191.db2.gz XAXURDIUAVSCSM-UHFFFAOYSA-N -1 0 411.885 5.775 40 0 HKABRM CCCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(Cc2ccc(Cl)cc2)n1 ZINC000585265997 569030165 /nfs/dbraw/zinc/03/01/65/569030165.db2.gz XPMOTXJTVUGWIR-UHFFFAOYSA-N -1 0 416.304 6.133 40 0 HKABRM COc1ccc(-c2ccc(C(=O)[O-])c(CC3CCCC3)n2)c(OCc2ccccc2)c1 ZINC000585266021 569030220 /nfs/dbraw/zinc/03/02/20/569030220.db2.gz ZHTFHYQHIIPPCD-UHFFFAOYSA-N -1 0 417.505 5.767 40 0 HKABRM CCOc1cc(Cl)ccc1-c1ccc(C(=O)[O-])c(COc2cccc(C)c2C)n1 ZINC000585266022 569030206 /nfs/dbraw/zinc/03/02/06/569030206.db2.gz ZJYKQJXYODPRCW-UHFFFAOYSA-N -1 0 411.885 5.695 40 0 HKABRM CC(C)Cc1ccc([C@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(C(=O)[O-])ccc2OC3(C)C)cc1 ZINC000585266068 569030188 /nfs/dbraw/zinc/03/01/88/569030188.db2.gz CYTMZFMWVABQLT-ZOZDAHEQSA-N -1 0 408.538 6.004 40 0 HKABRM Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)[O-] ZINC000585266499 569030120 /nfs/dbraw/zinc/03/01/20/569030120.db2.gz AEKPFPRYWDTXPK-JOCHJYFZSA-N -1 0 421.928 5.263 40 0 HKABRM Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)[O-] ZINC000585266500 569030138 /nfs/dbraw/zinc/03/01/38/569030138.db2.gz AEKPFPRYWDTXPK-QFIPXVFZSA-N -1 0 421.928 5.263 40 0 HKABRM Cc1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)[O-])cc1 ZINC000585266603 569030130 /nfs/dbraw/zinc/03/01/30/569030130.db2.gz JDFNBQGASZPTKW-JOCHJYFZSA-N -1 0 421.928 5.263 40 0 HKABRM Cc1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)[O-])cc1 ZINC000585266604 569030131 /nfs/dbraw/zinc/03/01/31/569030131.db2.gz JDFNBQGASZPTKW-QFIPXVFZSA-N -1 0 421.928 5.263 40 0 HKABRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCC1CCCCC1 ZINC000585266630 569030161 /nfs/dbraw/zinc/03/01/61/569030161.db2.gz JMPVRSWJICEDJD-NRFANRHFSA-N -1 0 413.949 5.683 40 0 HKABRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCC1CCCCC1 ZINC000585266634 569030140 /nfs/dbraw/zinc/03/01/40/569030140.db2.gz JMPVRSWJICEDJD-OAQYLSRUSA-N -1 0 413.949 5.683 40 0 HKABRM Cc1cc(OCCCc2nc(-c3ccccc3)sc2C(=O)[O-])cc(C)c1Cl ZINC000585266839 569030143 /nfs/dbraw/zinc/03/01/43/569030143.db2.gz RRRIRFPZVHMXBT-UHFFFAOYSA-N -1 0 401.915 5.790 40 0 HKABRM Cc1ccc(OCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)[O-])cc1 ZINC000585267312 569030141 /nfs/dbraw/zinc/03/01/41/569030141.db2.gz KCBVZXLGCOXSLW-NRFANRHFSA-N -1 0 423.900 5.057 40 0 HKABRM Cc1ccc(OCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)[O-])cc1 ZINC000585267314 569030117 /nfs/dbraw/zinc/03/01/17/569030117.db2.gz KCBVZXLGCOXSLW-OAQYLSRUSA-N -1 0 423.900 5.057 40 0 HKABRM