smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c2c1OC(C)(C)C=C2 ZINC000000538127 291286716 /nfs/dbraw/zinc/28/67/16/291286716.db2.gz DCTLJGWMHPGCOS-UHFFFAOYSA-N -1 3 404.462 5.564 50 0 aggregator,biogenic,in-vitro HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2cc(Br)ccc2-3)cc1 ZINC000000628900 557024604 /nfs/dbraw/zinc/02/46/04/557024604.db2.gz CIKYYRTWKGULIQ-UHFFFAOYSA-N -1 3 414.324 5.130 50 0 HKAAHM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)cc3)nc2c1 ZINC000000629481 557025177 /nfs/dbraw/zinc/02/51/77/557025177.db2.gz NVDIFRIRZCYJQD-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)nc12 ZINC000000629509 557025260 /nfs/dbraw/zinc/02/52/60/557025260.db2.gz SZNDKINBJPRDCP-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM COc1cccc(-c2c(C(=O)OC(C)(C)C)cc([O-])c3cc(OC)c(OC)cc32)c1 ZINC000000639894 557031917 /nfs/dbraw/zinc/03/19/17/557031917.db2.gz YJLIQWMNTXAYHX-UHFFFAOYSA-N -1 3 410.466 5.194 50 0 HKAAHM [O-]C(=C(c1cccnc1)[C@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000000644733 557034621 /nfs/dbraw/zinc/03/46/21/557034621.db2.gz RWHQUPKWBYNIJM-OCCSQVGLSA-N -1 3 413.515 5.086 50 0 HKAAHM [O-]C(=C(c1cccnc1)[C@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000000644735 557034682 /nfs/dbraw/zinc/03/46/82/557034682.db2.gz RWHQUPKWBYNIJM-JSGCOSHPSA-N -1 3 413.515 5.086 50 0 HKAAHM [O-]C(=C(c1cccnc1)[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000000644736 557034608 /nfs/dbraw/zinc/03/46/08/557034608.db2.gz RWHQUPKWBYNIJM-TZMCWYRMSA-N -1 3 413.515 5.086 50 0 HKAAHM [O-]C(=C(c1cccnc1)[C@@H](O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000000644737 557034551 /nfs/dbraw/zinc/03/45/51/557034551.db2.gz RWHQUPKWBYNIJM-GXTWGEPZSA-N -1 3 413.515 5.086 50 0 HKAAHM CCOC(=O)c1cccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc([O-])cc32)c1 ZINC000000645747 557035555 /nfs/dbraw/zinc/03/55/55/557035555.db2.gz KKSAMMJJBNIENM-XTCLZLMSSA-N -1 3 415.445 5.223 50 0 HKAAHM CCCc1ccc(-c2csc([N-]C(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 ZINC000000650047 557038436 /nfs/dbraw/zinc/03/84/36/557038436.db2.gz XGQLUPVCEWKPID-UHFFFAOYSA-N -1 3 412.511 5.482 50 0 HKAAHM CSc1ccccc1[N-]C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000000651574 557038647 /nfs/dbraw/zinc/03/86/47/557038647.db2.gz UAYMMOBFWBJUCG-UHFFFAOYSA-N -1 3 408.306 6.140 50 0 HKAAHM COC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc(C)c1-c1cccc(Cl)c1 ZINC000000652009 557038980 /nfs/dbraw/zinc/03/89/80/557038980.db2.gz LSZVBCZIJGUNLP-UHFFFAOYSA-N -1 3 421.852 5.694 50 0 HKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1[N-]C(=O)C(F)(F)F ZINC000000668583 557047490 /nfs/dbraw/zinc/04/74/90/557047490.db2.gz ZWEVZJNQHVVJBN-UHFFFAOYSA-N -1 3 412.216 5.399 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000000672673 557050001 /nfs/dbraw/zinc/05/00/01/557050001.db2.gz NYGRCIMKODQAPD-UHFFFAOYSA-N -1 3 414.914 5.010 50 0 HKAAHM Cc1ccc(-c2cc(C(=O)[N-]c3c(F)c(F)cc(F)c3F)c3ccccc3n2)o1 ZINC000000673590 557050813 /nfs/dbraw/zinc/05/08/13/557050813.db2.gz FIECXAOODLKNDM-UHFFFAOYSA-N -1 3 400.331 5.612 50 0 HKAAHM Cc1cc(C)cc(NC(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000000683213 557057128 /nfs/dbraw/zinc/05/71/28/557057128.db2.gz KSZJDWMXWOHVCG-UHFFFAOYSA-N -1 3 414.914 5.010 50 0 HKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2)s1 ZINC000000702341 557062176 /nfs/dbraw/zinc/06/21/76/557062176.db2.gz CNMVBVVHPRZGBI-UHFFFAOYSA-N -1 3 415.927 5.791 50 0 HKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1ccc(Br)o1 ZINC000000708652 569060225 /nfs/dbraw/zinc/06/02/25/569060225.db2.gz MLLICXSOCOZINC-UHFFFAOYSA-N -1 3 420.284 5.200 50 0 HKAAHM CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1[O-] ZINC000000717969 568465913 /nfs/dbraw/zinc/46/59/13/568465913.db2.gz BEJYSVKSOAUXDA-OAHLLOKOSA-N -1 3 412.283 5.181 50 0 HKAAHM CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1[O-] ZINC000000717970 568465895 /nfs/dbraw/zinc/46/58/95/568465895.db2.gz BEJYSVKSOAUXDA-HNNXBMFYSA-N -1 3 412.283 5.181 50 0 HKAAHM COC(=O)[N-]C(=S)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000722128 557070948 /nfs/dbraw/zinc/07/09/48/557070948.db2.gz RXSUCXKFFINDGA-UHFFFAOYSA-N -1 3 405.690 5.492 50 0 HKAAHM Cc1ccc(NC(=O)c2c([N-]C(=O)C(F)(F)F)sc3c2CCCCC3)c(C)c1 ZINC000000722364 557071161 /nfs/dbraw/zinc/07/11/61/557071161.db2.gz BYXXEJXNSMFKLB-UHFFFAOYSA-N -1 3 410.461 5.387 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)c(C)c1 ZINC000000752706 568471175 /nfs/dbraw/zinc/47/11/75/568471175.db2.gz OHJVVBIGLDRDRP-UHFFFAOYSA-N -1 3 411.523 5.314 50 0 HKAAHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000000753342 557075838 /nfs/dbraw/zinc/07/58/38/557075838.db2.gz ZKLPQUCRYUIAQW-UHFFFAOYSA-N -1 3 404.624 5.466 50 0 HKAAHM O=C1[N-][C@@H](c2ccc(Cl)cc2Cl)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000759204 557077324 /nfs/dbraw/zinc/07/73/24/557077324.db2.gz SYXZVXMLKBIFQN-AWEZNQCLSA-N -1 3 408.335 5.429 50 0 HKAAHM O=C1[N-][C@H](c2ccc(Cl)cc2Cl)Nc2c1sc(=S)n2-c1ccccc1 ZINC000000759205 557077332 /nfs/dbraw/zinc/07/73/32/557077332.db2.gz SYXZVXMLKBIFQN-CQSZACIVSA-N -1 3 408.335 5.429 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc3c(c2)OCO3)s1)c1sc2ccccc2c1Cl ZINC000000792600 557081878 /nfs/dbraw/zinc/08/18/78/557081878.db2.gz STOOREZGVCCQGL-UHFFFAOYSA-N -1 3 415.883 5.054 50 0 HKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1cccc2nsnc21 ZINC000000816377 557091103 /nfs/dbraw/zinc/09/11/03/557091103.db2.gz HQLYXIKCTAWTDJ-UHFFFAOYSA-N -1 3 405.266 5.214 50 0 HKAAHM O=C([N-]c1sc2c(c1C(=O)Nc1ccccc1Cl)CCCC2)C(F)(F)F ZINC000000837707 568515262 /nfs/dbraw/zinc/51/52/62/568515262.db2.gz UMMWHQXTQIZGNO-UHFFFAOYSA-N -1 3 402.825 5.033 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843889 557098333 /nfs/dbraw/zinc/09/83/33/557098333.db2.gz QGVMZODZFSNDHL-QFIPXVFZSA-N -1 3 419.406 5.845 50 0 aggregator HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843889 557098335 /nfs/dbraw/zinc/09/83/35/557098335.db2.gz QGVMZODZFSNDHL-QFIPXVFZSA-N -1 3 419.406 5.845 50 0 aggregator HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843890 557098356 /nfs/dbraw/zinc/09/83/56/557098356.db2.gz QGVMZODZFSNDHL-JOCHJYFZSA-N -1 3 419.406 5.845 50 0 aggregator HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 ZINC000000843890 557098359 /nfs/dbraw/zinc/09/83/59/557098359.db2.gz QGVMZODZFSNDHL-JOCHJYFZSA-N -1 3 419.406 5.845 50 0 aggregator HKAAHM Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3[O-])n2)n1 ZINC000000844902 557098584 /nfs/dbraw/zinc/09/85/84/557098584.db2.gz HNDCWUPSYJHAGW-UHFFFAOYSA-N -1 3 421.298 5.081 50 0 HKAAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1sc3ccccc3c1Cl)COCC2 ZINC000000873718 571042845 /nfs/dbraw/zinc/04/28/45/571042845.db2.gz SXDDWESELSAREL-UHFFFAOYSA-N -1 3 421.927 5.118 50 0 HKAAHM Cc1cccn2cc(-c3cccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)c3)nc12 ZINC000000936127 568751498 /nfs/dbraw/zinc/75/14/98/568751498.db2.gz QNUFUJHYQAVXFY-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc([O-])cc1 ZINC000000936522 557120563 /nfs/dbraw/zinc/12/05/63/557120563.db2.gz XRVZQWLTUVVSTR-UHFFFAOYSA-N -1 3 401.871 5.203 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000000948775 568754887 /nfs/dbraw/zinc/75/48/87/568754887.db2.gz DKNSINMCUOGLNN-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000000953443 557125540 /nfs/dbraw/zinc/12/55/40/557125540.db2.gz GAYOPDGLAAFGSA-UHFFFAOYSA-N -1 3 407.850 5.081 50 0 HKAAHM COc1cc([C@H]2CC(c3ccccc3[O-])=Nc3ccccc3S2)cc(OC)c1OC ZINC000000984779 557131934 /nfs/dbraw/zinc/13/19/34/557131934.db2.gz DPVWYVFWXZNYKJ-HSZRJFAPSA-N -1 3 421.518 5.776 50 0 HKAAHM COc1cc([C@@H]2CC(c3ccccc3[O-])=Nc3ccccc3S2)cc(OC)c1OC ZINC000000984780 557131889 /nfs/dbraw/zinc/13/18/89/557131889.db2.gz DPVWYVFWXZNYKJ-QHCPKHFHSA-N -1 3 421.518 5.776 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Br)cc3)cc2)cc1 ZINC000000991964 557135328 /nfs/dbraw/zinc/13/53/28/557135328.db2.gz NSGCOZZBRWKXIB-UHFFFAOYSA-N -1 3 418.312 5.351 50 0 HKAAHM COC(=O)[N-]C(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000992525 557135372 /nfs/dbraw/zinc/13/53/72/557135372.db2.gz CSVADAVAPAOWCG-UHFFFAOYSA-N -1 3 405.690 5.492 50 0 HKAAHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000000994337 557136967 /nfs/dbraw/zinc/13/69/67/557136967.db2.gz IEGWJVPTSHMAID-UHFFFAOYSA-N -1 3 415.523 5.210 50 0 HKAAHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)N=C2SC=C(c3ccc(Cl)cc3)N21 ZINC000000994969 568760896 /nfs/dbraw/zinc/76/08/96/568760896.db2.gz OUERBGRXXHFUOF-QGZVFWFLSA-N -1 3 409.820 5.182 50 0 HKAAHM O=C1[N-][C@](c2ccccc2)(C(F)(F)F)N=C2SC=C(c3ccc(Cl)cc3)N21 ZINC000000994970 568760882 /nfs/dbraw/zinc/76/08/82/568760882.db2.gz OUERBGRXXHFUOF-KRWDZBQOSA-N -1 3 409.820 5.386 50 0 HKAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000000997918 557138893 /nfs/dbraw/zinc/13/88/93/557138893.db2.gz KVTOHVIYLYAIJR-UHFFFAOYSA-N -1 3 421.927 5.556 50 0 HKAAHM COC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000000998447 557139141 /nfs/dbraw/zinc/13/91/41/557139141.db2.gz BEOZAXAVDAIVNH-UHFFFAOYSA-N -1 3 418.474 5.417 50 0 HKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc4ccccc4c3)cc2)cc1 ZINC000001008356 568761831 /nfs/dbraw/zinc/76/18/31/568761831.db2.gz WHFDJRUGGJMTAS-UHFFFAOYSA-N -1 3 405.475 5.442 50 0 HKAAHM CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000001011767 557141977 /nfs/dbraw/zinc/14/19/77/557141977.db2.gz HJBLEQGXLZPRAT-NVNXTCNLSA-N -1 3 410.278 5.339 50 0 HKAAHM CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000001011842 568763171 /nfs/dbraw/zinc/76/31/71/568763171.db2.gz RQZYFMLINJLWGX-OQLLNIDSSA-N -1 3 410.278 5.339 50 0 HKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024943 557144810 /nfs/dbraw/zinc/14/48/10/557144810.db2.gz FBLBNTOHNIGSQB-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024943 557144813 /nfs/dbraw/zinc/14/48/13/557144813.db2.gz FBLBNTOHNIGSQB-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024944 557144796 /nfs/dbraw/zinc/14/47/96/557144796.db2.gz FBLBNTOHNIGSQB-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000001024944 557144798 /nfs/dbraw/zinc/14/47/98/557144798.db2.gz FBLBNTOHNIGSQB-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM O=c1[n-]nc(SCc2c(F)cccc2Cl)n1-c1ccccc1C(F)(F)F ZINC000001030394 557146919 /nfs/dbraw/zinc/14/69/19/557146919.db2.gz IXARAYUOYQAWDW-UHFFFAOYSA-N -1 3 403.788 5.077 50 0 HKAAHM COC(=O)c1sccc1[N-]C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000001034124 557149030 /nfs/dbraw/zinc/14/90/30/557149030.db2.gz QVINRFKVCIGIBG-UHFFFAOYSA-N -1 3 412.250 5.479 50 0 HKAAHM CSc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]C(=O)Nc1ccccc1Cl ZINC000001037534 557151392 /nfs/dbraw/zinc/15/13/92/557151392.db2.gz LCCGLPAOLLBADK-UHFFFAOYSA-N -1 3 422.293 5.332 50 0 HKAAHM O=C([N-]C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccccc1 ZINC000001038232 557151662 /nfs/dbraw/zinc/15/16/62/557151662.db2.gz CTUJEQGZRAJGHZ-UHFFFAOYSA-N -1 3 408.323 5.210 50 0 HKAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001042290 557154007 /nfs/dbraw/zinc/15/40/07/557154007.db2.gz IKRHZHYBTDYGBM-UHFFFAOYSA-N -1 3 414.914 5.010 50 0 HKAAHM O=C([N-]c1nnc(Sc2ccnc3cc(Cl)ccc32)s1)c1cccs1 ZINC000001043169 557154563 /nfs/dbraw/zinc/15/45/63/557154563.db2.gz KWDHWMGDHBBJIA-UHFFFAOYSA-N -1 3 404.929 5.205 50 0 in-vitro HKAAHM COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(O)c3)C2)c([O-])c1 ZINC000001043903 557155215 /nfs/dbraw/zinc/15/52/15/557155215.db2.gz KLDJELYDALDWDM-HSZRJFAPSA-N -1 3 407.491 5.473 50 0 HKAAHM COc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(O)c3)C2)c([O-])c1 ZINC000001043904 557155161 /nfs/dbraw/zinc/15/51/61/557155161.db2.gz KLDJELYDALDWDM-QHCPKHFHSA-N -1 3 407.491 5.473 50 0 HKAAHM COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(OC)c(OC)c3)C2)c([O-])c1 ZINC000001043905 557155169 /nfs/dbraw/zinc/15/51/69/557155169.db2.gz DWEYROCYCOUJLA-XMMPIXPASA-N -1 3 421.518 5.776 50 0 HKAAHM COc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(OC)c(OC)c3)C2)c([O-])c1 ZINC000001043906 557155194 /nfs/dbraw/zinc/15/51/94/557155194.db2.gz DWEYROCYCOUJLA-DEOSSOPVSA-N -1 3 421.518 5.776 50 0 HKAAHM COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c([O-])c1 ZINC000001043907 557155182 /nfs/dbraw/zinc/15/51/82/557155182.db2.gz FWTDYIFNNFKJCU-HSZRJFAPSA-N -1 3 405.475 5.487 50 0 HKAAHM COc1ccc(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c([O-])c1 ZINC000001043908 557155244 /nfs/dbraw/zinc/15/52/44/557155244.db2.gz FWTDYIFNNFKJCU-QHCPKHFHSA-N -1 3 405.475 5.487 50 0 HKAAHM CSc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 ZINC000001046247 557156369 /nfs/dbraw/zinc/15/63/69/557156369.db2.gz TVBZFBVMFXVVBG-SFHVURJKSA-N -1 3 400.952 6.363 50 0 HKAAHM CSc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 ZINC000001046248 557156314 /nfs/dbraw/zinc/15/63/14/557156314.db2.gz TVBZFBVMFXVVBG-GOSISDBHSA-N -1 3 400.952 6.363 50 0 HKAAHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001046742 557156643 /nfs/dbraw/zinc/15/66/43/557156643.db2.gz AGANOYHGGFJXIW-UHFFFAOYSA-N -1 3 413.109 5.304 50 0 HKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nnc([N-]C(=O)c2ccco2)s1 ZINC000001047182 557156877 /nfs/dbraw/zinc/15/68/77/557156877.db2.gz ARIBBHFINQSOAJ-UHFFFAOYSA-N -1 3 421.265 5.321 50 0 HKAAHM Cc1nnsc1C(=O)[N-]c1ccccc1SCc1cccc(C(F)(F)F)c1 ZINC000001048660 557157936 /nfs/dbraw/zinc/15/79/36/557157936.db2.gz FRUFCEBOXBYIMB-UHFFFAOYSA-N -1 3 409.458 5.410 50 0 HKAAHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc(SCc2cccc(C)c2)s1 ZINC000001049655 557158999 /nfs/dbraw/zinc/15/89/99/557158999.db2.gz XXOXKMGURKADOF-UHFFFAOYSA-N -1 3 413.499 5.585 50 0 HKAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2O1 ZINC000001050272 557159407 /nfs/dbraw/zinc/15/94/07/557159407.db2.gz OGTTYUSWZTXIQQ-UHFFFAOYSA-N -1 3 402.446 5.065 50 0 HKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1sc2ccccc2c1Cl ZINC000001056180 557161569 /nfs/dbraw/zinc/16/15/69/557161569.db2.gz BKJHZAGESHXKQM-UHFFFAOYSA-N -1 3 402.647 5.848 50 0 HKAAHM CCc1nnc([N-]C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 ZINC000001060383 557163692 /nfs/dbraw/zinc/16/36/92/557163692.db2.gz ZOPUUKOHPQTEEN-UHFFFAOYSA-N -1 3 401.797 5.285 50 0 HKAAHM O=C([N-]c1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCC2)C(F)(F)F ZINC000001081681 568768025 /nfs/dbraw/zinc/76/80/25/568768025.db2.gz DONFYSLXKGBNQK-UHFFFAOYSA-N -1 3 416.852 5.424 50 0 HKAAHM COc1ccccc1[C@H]1c2c([n-]nc2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097735 568769780 /nfs/dbraw/zinc/76/97/80/568769780.db2.gz NRHYIFUEKFEVOU-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccccc1[C@H]1c2c(n[n-]c2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097735 568769781 /nfs/dbraw/zinc/76/97/81/568769781.db2.gz NRHYIFUEKFEVOU-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccccc1[C@@H]1c2c([n-]nc2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097736 568769791 /nfs/dbraw/zinc/76/97/91/568769791.db2.gz NRHYIFUEKFEVOU-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccccc1[C@@H]1c2c(n[n-]c2-c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000001097736 568769792 /nfs/dbraw/zinc/76/97/92/568769792.db2.gz NRHYIFUEKFEVOU-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1C ZINC000001111523 557184076 /nfs/dbraw/zinc/18/40/76/557184076.db2.gz QBZXHYXYPXIOHR-UHFFFAOYSA-N -1 3 413.564 5.405 50 0 HKAAHM CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c(Br)c1 ZINC000001114919 557186390 /nfs/dbraw/zinc/18/63/90/557186390.db2.gz ISIKYLSDYRBARM-UHFFFAOYSA-N -1 3 412.711 5.123 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc4ccccc43)cc2)cc1 ZINC000001114942 557186354 /nfs/dbraw/zinc/18/63/54/557186354.db2.gz XNIXGQTYXOBUAM-UHFFFAOYSA-N -1 3 416.502 5.201 50 0 HKAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000001115085 569277303 /nfs/dbraw/zinc/27/73/03/569277303.db2.gz VXWZLEXVNDWFIS-UHFFFAOYSA-N -1 3 422.333 5.070 50 0 HKAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000001115332 557186536 /nfs/dbraw/zinc/18/65/36/557186536.db2.gz HNHWHKMNXXBZBR-UHFFFAOYSA-N -1 3 409.536 5.754 50 0 HKAAHM O=S(=O)([N-]c1ccccc1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000001122199 557192030 /nfs/dbraw/zinc/19/20/30/557192030.db2.gz YFRODVHLOLDLNU-UHFFFAOYSA-N -1 3 404.285 5.042 50 0 HKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000001126424 557195583 /nfs/dbraw/zinc/19/55/83/557195583.db2.gz RYRIANNZNYXHDO-UHFFFAOYSA-N -1 3 418.474 5.499 50 0 HKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)cc1 ZINC000001131123 557198126 /nfs/dbraw/zinc/19/81/26/557198126.db2.gz QUKREEUXOQPPGK-UHFFFAOYSA-N -1 3 413.564 5.487 50 0 HKAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCc1ccccc1 ZINC000001131810 557198776 /nfs/dbraw/zinc/19/87/76/557198776.db2.gz PXQJYLALBJPERX-FQEVSTJZSA-N -1 3 424.338 5.036 50 0 HKAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCc1ccccc1 ZINC000001131811 557198689 /nfs/dbraw/zinc/19/86/89/557198689.db2.gz PXQJYLALBJPERX-HXUWFJFHSA-N -1 3 424.338 5.036 50 0 HKAAHM CCCN(CCC)C(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000001141951 557204682 /nfs/dbraw/zinc/20/46/82/557204682.db2.gz ZZXFMSSBEKQTJB-SFHVURJKSA-N -1 3 404.348 5.325 50 0 HKAAHM CCCN(CCC)C(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000001141952 557204626 /nfs/dbraw/zinc/20/46/26/557204626.db2.gz ZZXFMSSBEKQTJB-GOSISDBHSA-N -1 3 404.348 5.325 50 0 HKAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000001144285 557206766 /nfs/dbraw/zinc/20/67/66/557206766.db2.gz ANINCOJKJJKMSV-UHFFFAOYSA-N -1 3 421.305 5.047 50 0 HKAAHM Cc1sc2nc(-c3ccc(-c4ccc(Br)cc4C)o3)[n-]c(=O)c2c1C ZINC000001155914 557213756 /nfs/dbraw/zinc/21/37/56/557213756.db2.gz UUGCXYOVSCEGFT-UHFFFAOYSA-N -1 3 415.312 5.599 50 0 HKAAHM [O-]c1ccc(Br)cc1-c1nc(-c2cccs2)c(-c2cccs2)[nH]1 ZINC000001157917 557215628 /nfs/dbraw/zinc/21/56/28/557215628.db2.gz QYPQZGRMUOOANM-UHFFFAOYSA-N -1 3 403.326 6.002 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3)c(C)c2[O-])cc1 ZINC000001158123 557215945 /nfs/dbraw/zinc/21/59/45/557215945.db2.gz YNMCOCGAVNIENC-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NC1CCCCC1 ZINC000001163722 557219550 /nfs/dbraw/zinc/21/95/50/557219550.db2.gz RWVILFJCLRPDPA-GOSISDBHSA-N -1 3 402.332 5.126 50 0 HKAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NC1CCCCC1 ZINC000001163723 557219587 /nfs/dbraw/zinc/21/95/87/557219587.db2.gz RWVILFJCLRPDPA-SFHVURJKSA-N -1 3 402.332 5.126 50 0 HKAAHM O=C1S/C(=C\c2cc(Br)ccc2[O-])C(=O)N1Cc1ccccc1Cl ZINC000001181433 557231144 /nfs/dbraw/zinc/23/11/44/557231144.db2.gz CCEDWICIPIRFSF-NVNXTCNLSA-N -1 3 424.703 5.045 50 0 HKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000001184456 557232920 /nfs/dbraw/zinc/23/29/20/557232920.db2.gz URYYGPNXACXLKH-UHFFFAOYSA-N -1 3 420.679 5.836 50 0 HKAAHM Cc1c([O-])c(-c2n[nH]cc2-c2cnn(-c3ccccc3)c2)ccc1OCc1ccccc1 ZINC000001184519 557232991 /nfs/dbraw/zinc/23/29/91/557232991.db2.gz MEYHCOCKKTYCDP-UHFFFAOYSA-N -1 3 422.488 5.522 50 0 HKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000001192148 557236793 /nfs/dbraw/zinc/23/67/93/557236793.db2.gz UJWNNYWOXDDYOR-UHFFFAOYSA-N -1 3 408.523 5.037 50 0 HKAAHM COC(=O)c1sccc1[N-]C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000001199850 557238593 /nfs/dbraw/zinc/23/85/93/557238593.db2.gz HCWWQYGFBGHXJC-UHFFFAOYSA-N -1 3 411.266 5.057 50 0 HKAAHM Cc1ccc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000001207167 557241578 /nfs/dbraw/zinc/24/15/78/557241578.db2.gz YFDVHNPNXANNIW-UHFFFAOYSA-N -1 3 404.491 5.303 50 0 HKAAHM Cc1cc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)ccc1Cl ZINC000001207351 557241482 /nfs/dbraw/zinc/24/14/82/557241482.db2.gz WYSDZGDPHNMBKD-UHFFFAOYSA-N -1 3 424.909 5.648 50 0 HKAAHM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000001207851 557241812 /nfs/dbraw/zinc/24/18/12/557241812.db2.gz BGWQXGLSUPFJRD-UHFFFAOYSA-N -1 3 424.909 5.648 50 0 HKAAHM CCc1ccc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000001207933 557241847 /nfs/dbraw/zinc/24/18/47/557241847.db2.gz ZTJYBEGKYFYTPC-UHFFFAOYSA-N -1 3 404.491 5.249 50 0 HKAAHM O=C(COc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000001208271 557242055 /nfs/dbraw/zinc/24/20/55/557242055.db2.gz FAPKPPCHRGKKIU-UHFFFAOYSA-N -1 3 410.882 5.340 50 0 HKAAHM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000001230304 568877939 /nfs/dbraw/zinc/87/79/39/568877939.db2.gz NSVCAWMUIVPHHQ-UHFFFAOYSA-N -1 3 404.285 5.042 50 0 HKAAHM O=C(NC(=S)Nc1ccccc1[O-])c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001262329 557252585 /nfs/dbraw/zinc/25/25/85/557252585.db2.gz VYAUQYYFHIUHBU-UHFFFAOYSA-N -1 3 407.278 5.086 50 0 HKAAHM [O-]c1cc(O)ccc1-c1onc(C(F)(F)F)c1-c1ccc(Br)cc1 ZINC000001278561 569006507 /nfs/dbraw/zinc/00/65/07/569006507.db2.gz ABGCGXCLZZXCOT-UHFFFAOYSA-N -1 3 400.150 5.201 50 0 HKAAHM O=C([N-]c1ccco1)c1scc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000001299346 557254225 /nfs/dbraw/zinc/25/42/25/557254225.db2.gz BQZDHQGUJAWMLZ-UHFFFAOYSA-N -1 3 422.893 6.166 50 0 HKAAHM CCOc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc([O-])cc32)cc1 ZINC000001322772 568914767 /nfs/dbraw/zinc/91/47/67/568914767.db2.gz RCUWSJZQCLZHTR-LKUDQCMESA-N -1 3 401.418 5.165 50 0 biogenic HKAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000001392330 568924868 /nfs/dbraw/zinc/92/48/68/568924868.db2.gz RTEYDDPWYSCNBQ-UHFFFAOYSA-N -1 3 422.333 5.682 50 0 HKAAHM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)SCc1ccc(F)cc1 ZINC000001401974 568927398 /nfs/dbraw/zinc/92/73/98/568927398.db2.gz KHMVXDIFKBJOLX-UHFFFAOYSA-N -1 3 422.374 5.123 50 0 HKAAHM CCOc1ccc(-c2n[n-]c3c2[C@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413237 568933461 /nfs/dbraw/zinc/93/34/61/568933461.db2.gz INRHULGQWZLFJT-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(-c2[n-]nc3c2[C@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413237 568933463 /nfs/dbraw/zinc/93/34/63/568933463.db2.gz INRHULGQWZLFJT-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413238 568933414 /nfs/dbraw/zinc/93/34/14/568933414.db2.gz INRHULGQWZLFJT-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 ZINC000001413238 568933416 /nfs/dbraw/zinc/93/34/16/568933416.db2.gz INRHULGQWZLFJT-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM Cc1c(Cl)cccc1NC(=O)c1nnsc1[N-]C(=O)Nc1ccc(Cl)cc1 ZINC000001416962 568934013 /nfs/dbraw/zinc/93/40/13/568934013.db2.gz DEZQVFBDFAJWIL-UHFFFAOYSA-N -1 3 422.297 5.050 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c(C)c1 ZINC000001423369 568938348 /nfs/dbraw/zinc/93/83/48/568938348.db2.gz UPCUHSDARCVHFX-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM Cc1ccn2cc(-c3cccc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)c3)nc2c1 ZINC000001423370 568938204 /nfs/dbraw/zinc/93/82/04/568938204.db2.gz HJJBETYOMHTXEG-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1ccc(C2CCCCC2)cc1 ZINC000001425970 557261380 /nfs/dbraw/zinc/26/13/80/557261380.db2.gz KVOFAMRFMGIGQJ-UHFFFAOYSA-N -1 3 420.578 5.715 50 0 HKAAHM O=C(Nc1ccccc1)c1sc([N-]c2c(F)cccc2F)nc1-c1ccccc1 ZINC000001465355 568990432 /nfs/dbraw/zinc/99/04/32/568990432.db2.gz DASXMRDROFCXKH-UHFFFAOYSA-N -1 3 407.445 6.084 50 0 HKAAHM [O-]c1ccccc1-c1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1 ZINC000001823070 568837789 /nfs/dbraw/zinc/83/77/89/568837789.db2.gz RGNQEMLGCMJMJR-UHFFFAOYSA-N -1 3 404.429 5.577 50 0 HKAAHM CC(=O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1[O-] ZINC000001851134 557292081 /nfs/dbraw/zinc/29/20/81/557292081.db2.gz NTUBQTVFDLDHRH-UHFFFAOYSA-N -1 3 403.478 5.249 50 0 HKAAHM O=c1oc2ccc(Br)cc2cc1-c1csc(=NNc2ccccc2)[n-]1 ZINC000001878635 569056898 /nfs/dbraw/zinc/05/68/98/569056898.db2.gz MCHHZAWOFULQPH-UHFFFAOYSA-N -1 3 414.284 5.118 50 0 HKAAHM [O-]c1ccccc1-c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000002025197 557299436 /nfs/dbraw/zinc/29/94/36/557299436.db2.gz JRFAZHZGGHAARJ-UHFFFAOYSA-N -1 3 403.279 5.946 50 0 HKAAHM Cc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000002064410 557305310 /nfs/dbraw/zinc/30/53/10/557305310.db2.gz BMPHQAYKUMWTQH-UHFFFAOYSA-N -1 3 419.531 5.104 50 0 HKAAHM Cc1ccccc1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000002064415 557305293 /nfs/dbraw/zinc/30/52/93/557305293.db2.gz UGAZANJYOLLXGW-UHFFFAOYSA-N -1 3 419.531 5.104 50 0 HKAAHM COC(=O)[C@]([O-])(c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1C)C(F)(F)F ZINC000002065914 560584105 /nfs/dbraw/zinc/58/41/05/560584105.db2.gz FGSYIQWRUJRDJC-HXUWFJFHSA-N -1 3 424.415 5.453 50 0 HKAAHM COC(=O)[C@@]([O-])(c1sc(-c2ccccc2)c(-c2ccc(F)cc2)c1C)C(F)(F)F ZINC000002065915 569073888 /nfs/dbraw/zinc/07/38/88/569073888.db2.gz FGSYIQWRUJRDJC-FQEVSTJZSA-N -1 3 424.415 5.453 50 0 HKAAHM CCCCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000002074814 569277664 /nfs/dbraw/zinc/27/76/64/569277664.db2.gz KRPKCPUXRIYGQZ-UHFFFAOYSA-N -1 3 418.518 6.100 50 0 HKAAHM CCOC(=O)c1c(-c2cc(C)ccc2C)csc1[N-]C(=O)c1c(F)cccc1F ZINC000002088223 557312051 /nfs/dbraw/zinc/31/20/51/557312051.db2.gz PTMAAJZEYOCBRB-UHFFFAOYSA-N -1 3 415.461 5.739 50 0 HKAAHM CC(C)OC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1c(F)cccc1F ZINC000002088315 557312012 /nfs/dbraw/zinc/31/20/12/557312012.db2.gz PDLLZYZAZPIBSA-UHFFFAOYSA-N -1 3 401.434 5.511 50 0 HKAAHM CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc4ccccc43)oc2cc1[O-] ZINC000002088935 557312156 /nfs/dbraw/zinc/31/21/56/557312156.db2.gz KKIYVIWETXKTNL-SGEDCAFJSA-N -1 3 414.505 5.746 50 0 HKAAHM O=S(=O)([N-]Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000002161504 557320742 /nfs/dbraw/zinc/32/07/42/557320742.db2.gz DTBQXRNYRWLGPQ-UHFFFAOYSA-N -1 3 420.532 5.259 50 0 HKAAHM CCCCCCNC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000002190831 557325091 /nfs/dbraw/zinc/32/50/91/557325091.db2.gz UCICKXNYLDPHKR-SFHVURJKSA-N -1 3 404.348 5.373 50 0 HKAAHM CCCCCCNC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1[O-] ZINC000002190832 557325150 /nfs/dbraw/zinc/32/51/50/557325150.db2.gz UCICKXNYLDPHKR-GOSISDBHSA-N -1 3 404.348 5.373 50 0 HKAAHM O=C([N-]C1=NC2=C(CCCC2)C2(CCCCC2)S1)Nc1ccc(Cl)c(Cl)c1 ZINC000002207768 569296911 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557412823 /nfs/dbraw/zinc/41/28/23/557412823.db2.gz GKTLATIRVIDXLX-JOCHJYFZSA-N -1 3 423.940 5.671 50 0 HKAAHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)ccc1Cl ZINC000002874899 557416481 /nfs/dbraw/zinc/41/64/81/557416481.db2.gz UUUHTBIYYNWUHZ-UHFFFAOYSA-N -1 3 405.517 5.754 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000002879157 557418650 /nfs/dbraw/zinc/41/86/50/557418650.db2.gz HPFVZLXXZYIHOV-UHFFFAOYSA-N -1 3 415.902 5.093 50 0 HKAAHM [O-]c1ccccc1-c1nnc(SCCOc2ccccc2Cl)n1-c1ccccc1 ZINC000002882064 557420042 /nfs/dbraw/zinc/42/00/42/557420042.db2.gz OXYZRXIOVAOPJJ-UHFFFAOYSA-N -1 3 423.925 5.464 50 0 HKAAHM COc1c(F)c(F)c(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)c(F)c1F ZINC000002883676 557420780 /nfs/dbraw/zinc/42/07/80/557420780.db2.gz ANJXCFIIFKEZKY-UHFFFAOYSA-N -1 3 416.783 5.281 50 0 HKAAHM O=C(NC(=S)Nc1ccccc1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000002886257 557422082 /nfs/dbraw/zinc/42/20/82/557422082.db2.gz FCCYISYNJONSFK-UHFFFAOYSA-N -1 3 407.278 5.086 50 0 HKAAHM CCCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000002903693 557424885 /nfs/dbraw/zinc/42/48/85/557424885.db2.gz MHOCZHXTQDWNFC-UHFFFAOYSA-N -1 3 410.923 5.270 50 0 HKAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2nc(C)nc(N3CCCC[C@H]3C)c12 ZINC000002924372 132259707 /nfs/dbraw/zinc/25/97/07/132259707.db2.gz MNIWXTGDGFENTI-LLVKDONJSA-N -1 3 416.497 5.217 50 0 HKAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2nc(C)nc(N3CCCC[C@@H]3C)c12 ZINC000002924377 132259693 /nfs/dbraw/zinc/25/96/93/132259693.db2.gz MNIWXTGDGFENTI-NSHDSACASA-N -1 3 416.497 5.217 50 0 HKAAHM CCCCOc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1 ZINC000002930404 557427759 /nfs/dbraw/zinc/42/77/59/557427759.db2.gz ZTVAZSCDPUNEFS-UHFFFAOYSA-N -1 3 418.518 6.100 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc2ccccc2oc1=O ZINC000002930454 557427709 /nfs/dbraw/zinc/42/77/09/557427709.db2.gz SEWFACIAJAAFPZ-UHFFFAOYSA-N -1 3 414.442 5.028 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc(Cl)c1Cl ZINC000002935455 558779782 /nfs/dbraw/zinc/77/97/82/558779782.db2.gz KUXHSRGODYTOAH-UHFFFAOYSA-N -1 3 415.301 6.228 50 0 HKAAHM CCCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000002936843 557428270 /nfs/dbraw/zinc/42/82/70/557428270.db2.gz NJGQRYDRCYHTLW-UHFFFAOYSA-N -1 3 404.491 5.710 50 0 HKAAHM Cc1ccc2nc(-c3ccc(Nc4[n-]c(=S)nc5ccccc54)cc3)sc2c1 ZINC000002949109 568820511 /nfs/dbraw/zinc/82/05/11/568820511.db2.gz BQYVSAINTUVPSC-UHFFFAOYSA-N -1 3 400.532 6.621 50 0 HKAAHM O=c1oc2ccccc2cc1-c1nnc([N-]c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000002956012 557430960 /nfs/dbraw/zinc/43/09/60/557430960.db2.gz RCKCJVJMRGCZCY-UHFFFAOYSA-N -1 3 423.803 5.727 50 0 HKAAHM O=c1c2sc3ccccc3c2[n-]c(=S)n1C1CCN(Cc2ccccc2)CC1 ZINC000002961709 568830468 /nfs/dbraw/zinc/83/04/68/568830468.db2.gz CEXWJKVPPBNPKO-UHFFFAOYSA-N -1 3 407.564 5.111 50 0 HKAAHM CCCC(=O)[N-][C@H](Oc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003018974 557442221 /nfs/dbraw/zinc/44/22/21/557442221.db2.gz JEASQKPSQCMBME-LLVKDONJSA-N -1 3 413.943 5.638 50 0 HKAAHM CCCC(=O)[N-][C@@H](Oc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl ZINC000003018976 557442164 /nfs/dbraw/zinc/44/21/64/557442164.db2.gz JEASQKPSQCMBME-NSHDSACASA-N -1 3 413.943 5.638 50 0 HKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1CSc1ccc(Cl)cc1 ZINC000003046301 557443187 /nfs/dbraw/zinc/44/31/87/557443187.db2.gz MFNDCHSBXMUFAA-UHFFFAOYSA-N -1 3 404.318 6.244 50 0 HKAAHM CN(C)Cc1cc(C(C)(C)C)c(OC(=O)[N-]C(=O)c2ccccc2)c(C(C)(C)C)c1 ZINC000003073673 558257539 /nfs/dbraw/zinc/25/75/39/558257539.db2.gz RZIFQUHRIVOYRU-UHFFFAOYSA-N -1 3 410.558 5.272 50 0 HKAAHM CN(C)Cc1cc(C(C)(C)C)c(OC([O-])=NC(=O)c2ccccc2)c(C(C)(C)C)c1 ZINC000003073673 558257541 /nfs/dbraw/zinc/25/75/41/558257541.db2.gz RZIFQUHRIVOYRU-UHFFFAOYSA-N -1 3 410.558 5.272 50 0 HKAAHM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000003086362 558684392 /nfs/dbraw/zinc/68/43/92/558684392.db2.gz YKRGQLGNAQIWQW-UHFFFAOYSA-N -1 3 405.517 5.754 50 0 HKAAHM Cc1ccccc1C(=O)NC([N-]c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000003103655 557447032 /nfs/dbraw/zinc/44/70/32/557447032.db2.gz VZYHFCLFJMMKHP-UHFFFAOYSA-N -1 3 410.745 5.311 50 0 HKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nnc(SC/C=C/c2ccccc2)s1 ZINC000003105003 557447025 /nfs/dbraw/zinc/44/70/25/557447025.db2.gz XTAHAOMEVCTAMJ-JXMROGBWSA-N -1 3 407.520 5.651 50 0 HKAAHM CCC(C)(C)c1ccc(Oc2ccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc2)cc1 ZINC000003147042 557451312 /nfs/dbraw/zinc/45/13/12/557451312.db2.gz HRUJYRWCYFIMKP-UHFFFAOYSA-N -1 3 413.521 6.329 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1Cl ZINC000003163498 568858794 /nfs/dbraw/zinc/85/87/94/568858794.db2.gz VJTLGWWNYYYYFG-UHFFFAOYSA-N -1 3 415.301 6.228 50 0 HKAAHM COc1cccc2cc(-c3nnc([N-]c4ccc(Cl)cc4Cl)s3)c(=O)oc21 ZINC000003175973 568477455 /nfs/dbraw/zinc/47/74/55/568477455.db2.gz LRKXVVGKSIRLHF-UHFFFAOYSA-N -1 3 420.277 5.371 50 0 HKAAHM O=c1oc2ccc(Cl)cc2cc1-c1nnc([N-]c2ccc(Cl)cc2Cl)s1 ZINC000003176061 557453280 /nfs/dbraw/zinc/45/32/80/557453280.db2.gz BOHHRLSIRYDAAE-UHFFFAOYSA-N -1 3 424.696 6.015 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cccc(C(F)(F)F)c1 ZINC000003201134 568861406 /nfs/dbraw/zinc/86/14/06/568861406.db2.gz HKEIJPAHVIUCBL-UHFFFAOYSA-N -1 3 414.408 5.940 50 0 HKAAHM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[N-]c3nnc(C4CC4)s3)cc12 ZINC000003210715 568862231 /nfs/dbraw/zinc/86/22/31/568862231.db2.gz XBSBWWYKAUEBDH-UHFFFAOYSA-N -1 3 415.931 5.030 50 0 aggregator HKAAHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003221565 568863580 /nfs/dbraw/zinc/86/35/80/568863580.db2.gz RMYFWQPJUCBPJL-AWEZNQCLSA-N -1 3 413.153 5.038 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000003221566 568863610 /nfs/dbraw/zinc/86/36/10/568863610.db2.gz RMYFWQPJUCBPJL-CQSZACIVSA-N -1 3 413.153 5.038 50 0 HKAAHM COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(Br)c1[O-] ZINC000003225165 568864171 /nfs/dbraw/zinc/86/41/71/568864171.db2.gz KENYDXNUVQSJCV-FQEVSTJZSA-N -1 3 422.282 5.152 50 0 HKAAHM COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(Br)c1[O-] ZINC000003225166 568864160 /nfs/dbraw/zinc/86/41/60/568864160.db2.gz KENYDXNUVQSJCV-HXUWFJFHSA-N -1 3 422.282 5.152 50 0 HKAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N(c3ccccc3)C(C)C)cc2)cc1 ZINC000003230416 560589988 /nfs/dbraw/zinc/58/99/88/560589988.db2.gz MZOPOGWZZIAVIB-UHFFFAOYSA-N -1 3 410.539 5.433 50 0 HKAAHM CC(C)c1ccccc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003235162 568865530 /nfs/dbraw/zinc/86/55/30/568865530.db2.gz QIYQZYYEMYNSHF-UHFFFAOYSA-N -1 3 402.520 5.275 50 0 HKAAHM Fc1ccccc1[N-]c1nnc(SCc2cc(Cl)ccc2OC(F)F)s1 ZINC000003264613 568869722 /nfs/dbraw/zinc/86/97/22/568869722.db2.gz BFBCGFXTQOTJCN-UHFFFAOYSA-N -1 3 417.865 5.968 50 0 HKAAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]C(=O)c1c(F)cccc1F ZINC000003267533 560591057 /nfs/dbraw/zinc/59/10/57/560591057.db2.gz JCNPACLLFYOONS-UHFFFAOYSA-N -1 3 401.434 5.431 50 0 HKAAHM O=C([N-]c1nnc(C2CC2)s1)c1oc2ccccc2c1CSCc1ccccc1 ZINC000003297671 568875589 /nfs/dbraw/zinc/87/55/89/568875589.db2.gz LEOVYEQTIGZXPB-UHFFFAOYSA-N -1 3 421.547 5.847 50 0 HKAAHM Fc1ccccc1[N-]c1nnc(SCc2csc(-c3ccccc3)n2)s1 ZINC000003312385 560592130 /nfs/dbraw/zinc/59/21/30/560592130.db2.gz PHIWASKRAIUAAG-UHFFFAOYSA-N -1 3 400.529 5.837 50 0 HKAAHM CCC(C)(C)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000003330053 568881916 /nfs/dbraw/zinc/88/19/16/568881916.db2.gz SGUFZEDMNJNAKU-UHFFFAOYSA-N -1 3 409.551 6.276 50 0 HKAAHM O=c1nc(CSc2nnc(-c3cccs3)o2)[n-]c2scc(-c3ccccc3)c21 ZINC000003344260 568884245 /nfs/dbraw/zinc/88/42/45/568884245.db2.gz JSMYFPXOGJIGDY-UHFFFAOYSA-N -1 3 424.532 5.055 50 0 HKAAHM O=c1nc(CN2CCC(Cc3ccccc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000003344733 568855598 /nfs/dbraw/zinc/85/55/98/568855598.db2.gz PTKOYJFFSSUAOM-UHFFFAOYSA-N -1 3 415.562 5.106 50 0 HKAAHM O=c1nc(CN2CC=C(c3ccccc3)CC2)[n-]c2scc(-c3cccs3)c21 ZINC000003370259 568889724 /nfs/dbraw/zinc/88/97/24/568889724.db2.gz NNRSSACEKGSSAW-UHFFFAOYSA-N -1 3 405.548 5.002 50 0 HKAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccccc1Oc1ccccc1 ZINC000003402519 568857879 /nfs/dbraw/zinc/85/78/79/568857879.db2.gz DUWFDHCMZMPDHM-UHFFFAOYSA-N -1 3 408.508 5.056 50 0 HKAAHM Cc1cc(C(=O)CSc2n[n-]c(-c3cccs3)n2)c(C)n1Cc1cccs1 ZINC000003408179 568897478 /nfs/dbraw/zinc/89/74/78/568897478.db2.gz DPHOETVKECHFMO-UHFFFAOYSA-N -1 3 414.581 5.036 50 0 HKAAHM Cc1ccc(Nc2nc(CSc3n[n-]c(COc4ccc(C)cc4)n3)cs2)cc1 ZINC000003408720 568857903 /nfs/dbraw/zinc/85/79/03/568857903.db2.gz LSVKIUBBRFYVRJ-UHFFFAOYSA-N -1 3 423.567 5.493 50 0 HKAAHM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(F)c(F)cc1Cl ZINC000003432324 568859201 /nfs/dbraw/zinc/85/92/01/568859201.db2.gz ULBICMRVNGELER-UHFFFAOYSA-N -1 3 415.849 5.153 50 0 HKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000003655340 568866488 /nfs/dbraw/zinc/86/64/88/568866488.db2.gz SIYNBPNREMKIJQ-UHFFFAOYSA-N -1 3 413.404 6.110 50 0 HKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655341 568866485 /nfs/dbraw/zinc/86/64/85/568866485.db2.gz AOQMRAQIHAVBFB-UHFFFAOYSA-N -1 3 409.441 6.279 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1)c1ccco1 ZINC000003655409 568866706 /nfs/dbraw/zinc/86/67/06/568866706.db2.gz GYEXKRITMUDRKI-UHFFFAOYSA-N -1 3 410.223 5.272 50 0 HKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655593 568866771 /nfs/dbraw/zinc/86/67/71/568866771.db2.gz QJYVFACZCQTIEM-UHFFFAOYSA-N -1 3 409.441 6.279 50 0 HKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000003655596 568866912 /nfs/dbraw/zinc/86/69/12/568866912.db2.gz WLGVUKYVUZXYCM-UHFFFAOYSA-N -1 3 423.468 6.588 50 0 HKAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655633 568866767 /nfs/dbraw/zinc/86/67/67/568866767.db2.gz DVOFCHBGPWMCQI-UHFFFAOYSA-N -1 3 423.468 6.588 50 0 HKAAHM Cc1ccc(Sc2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000003659132 557497100 /nfs/dbraw/zinc/49/71/00/557497100.db2.gz GTBBVPICODKBDF-LDADJPATSA-N -1 3 410.882 5.490 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)s2)C(Cl)(Cl)Cl)cc1 ZINC000003668687 568924308 /nfs/dbraw/zinc/92/43/08/568924308.db2.gz TVULNWAEKOGEOR-LBPRGKRZSA-N -1 3 419.182 5.100 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)s2)C(Cl)(Cl)Cl)cc1 ZINC000003668688 568924459 /nfs/dbraw/zinc/92/44/59/568924459.db2.gz TVULNWAEKOGEOR-GFCCVEGCSA-N -1 3 419.182 5.100 50 0 HKAAHM O=c1nc(CSc2nc3ccccc3s2)[n-]c2scc(-c3ccccc3)c21 ZINC000003867087 568868991 /nfs/dbraw/zinc/86/89/91/568868991.db2.gz SFBAQUVVVBOPOE-UHFFFAOYSA-N -1 3 407.545 5.554 50 0 HKAAHM CCCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc3c(c2)OCCCO3)c([O-])c1 ZINC000003985036 568931300 /nfs/dbraw/zinc/93/13/00/568931300.db2.gz LRDKVPGXSKAFMZ-UHFFFAOYSA-N -1 3 410.470 5.223 50 0 biogenic HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/c3nc4ccccc4s3)cc2)cc1 ZINC000003997578 568931880 /nfs/dbraw/zinc/93/18/80/568931880.db2.gz JAXDBKFDXOTEFZ-XNTDXEJSSA-N -1 3 406.532 5.576 50 0 HKAAHM O=S(=O)([N-]c1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(F)cc1 ZINC000003997579 568931854 /nfs/dbraw/zinc/93/18/54/568931854.db2.gz IVXJGKPIKZXXAD-VGOFMYFVSA-N -1 3 410.495 5.407 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)c(C)c1 ZINC000004036346 568935607 /nfs/dbraw/zinc/93/56/07/568935607.db2.gz IWQMNAMDXFIGPP-UHFFFAOYSA-N -1 3 409.536 5.084 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1C ZINC000004036355 568935548 /nfs/dbraw/zinc/93/55/48/568935548.db2.gz MLGBLUHCEUNYLI-UHFFFAOYSA-N -1 3 409.536 5.084 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)c(C)c1 ZINC000004036369 568935527 /nfs/dbraw/zinc/93/55/27/568935527.db2.gz CMQIDUPVNXIGGA-UHFFFAOYSA-N -1 3 409.536 5.084 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cccnc4s3)ccc2C)c(C)c1 ZINC000004036404 568935551 /nfs/dbraw/zinc/93/55/51/568935551.db2.gz GFNNXZFXGYKQKV-UHFFFAOYSA-N -1 3 409.536 5.084 50 0 HKAAHM CCCCCC1CCC(c2nnc(SCC(=O)c3cc(C)c([O-])c(C)c3)o2)CC1 ZINC000004036579 568935530 /nfs/dbraw/zinc/93/55/30/568935530.db2.gz PYZXUNFWUJOILL-UHFFFAOYSA-N -1 3 416.587 6.221 50 0 HKAAHM CCN(CC)c1ccc2cc(-c3nnc([N-]c4ccccc4F)s3)c(=O)oc2c1 ZINC000004063983 568937415 /nfs/dbraw/zinc/93/74/15/568937415.db2.gz GDEGSYAGMWDFGQ-UHFFFAOYSA-N -1 3 410.474 5.040 50 0 HKAAHM O=C(Cc1cccc2ccccc21)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000004071296 568882127 /nfs/dbraw/zinc/88/21/27/568882127.db2.gz PQUNMDDVAHQERI-UHFFFAOYSA-N -1 3 410.498 6.003 50 0 HKAAHM O=C([N-]c1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccs1 ZINC000004078223 568938831 /nfs/dbraw/zinc/93/88/31/568938831.db2.gz YEJSJLHECBBSGR-UHFFFAOYSA-N -1 3 401.460 5.163 50 0 HKAAHM O=C([N-]c1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cccs1 ZINC000004078243 568938875 /nfs/dbraw/zinc/93/88/75/568938875.db2.gz LZTCQIGVUAIEGF-UHFFFAOYSA-N -1 3 401.460 5.163 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2ncsc2c1 ZINC000004088361 568941341 /nfs/dbraw/zinc/94/13/41/568941341.db2.gz GNYCVDYJNPTMSS-UHFFFAOYSA-N -1 3 403.488 5.531 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1sc2ccccc2c1Cl ZINC000004107415 568943565 /nfs/dbraw/zinc/94/35/65/568943565.db2.gz IKGYKFBSOROUMX-UHFFFAOYSA-N -1 3 409.898 5.736 50 0 HKAAHM COC(=O)c1sc2ccccc2c1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000004134659 568915655 /nfs/dbraw/zinc/91/56/55/568915655.db2.gz DJGUVQGAUKDSTM-UHFFFAOYSA-N -1 3 401.896 5.808 50 0 HKAAHM O=C(Nc1cccc2ccccc21)c1c2c(sc1[N-]C(=O)C(F)(F)F)CCCC2 ZINC000004150890 568947196 /nfs/dbraw/zinc/94/71/96/568947196.db2.gz VVCUKSODGVGSKT-UHFFFAOYSA-N -1 3 418.440 5.533 50 0 HKAAHM O=C([N-]c1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2)C(F)(F)F ZINC000004150893 568947095 /nfs/dbraw/zinc/94/70/95/568947095.db2.gz PXPSPOLRRLTYEG-UHFFFAOYSA-N -1 3 416.852 5.424 50 0 HKAAHM O=C([N-]c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2)C(F)(F)F ZINC000004150913 557520612 /nfs/dbraw/zinc/52/06/12/557520612.db2.gz YGQFGOMGAQTAEO-UHFFFAOYSA-N -1 3 402.825 5.033 50 0 aggregator HKAAHM O=C([N-]c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2)C(F)(F)F ZINC000004150916 568947115 /nfs/dbraw/zinc/94/71/15/568947115.db2.gz IWADIEZHUMJRFJ-UHFFFAOYSA-N -1 3 416.852 5.424 50 0 HKAAHM O=C(Nc1ccccc1)c1oc2ccccc2c1[N-]C(=O)c1c(F)cccc1Cl ZINC000004267166 568956236 /nfs/dbraw/zinc/95/62/36/568956236.db2.gz WXOHKJMVJZZDJK-UHFFFAOYSA-N -1 3 408.816 5.730 50 0 HKAAHM CC(C)Oc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000004278859 568958377 /nfs/dbraw/zinc/95/83/77/568958377.db2.gz SJIQBXJPVCQJCX-UHFFFAOYSA-N -1 3 404.491 5.708 50 0 HKAAHM O=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc([O-])cc1 ZINC000004458735 558590275 /nfs/dbraw/zinc/59/02/75/558590275.db2.gz AAIYZNZVJSEINM-UHFFFAOYSA-N -1 3 414.498 5.232 50 0 biogenic HKAAHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1ccccc1 ZINC000004472201 557556683 /nfs/dbraw/zinc/55/66/83/557556683.db2.gz VKAHCRZAVKTTEK-SFQUDFHCSA-N -1 3 412.923 5.650 50 0 HKAAHM Cc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000004478286 558601400 /nfs/dbraw/zinc/60/14/00/558601400.db2.gz AKRGXFYHPNUJTA-HXUWFJFHSA-N -1 3 417.456 5.292 50 0 HKAAHM Cc1ccc(-c2csc(N3N=C(c4ccc(C)cc4)C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000004478287 558601338 /nfs/dbraw/zinc/60/13/38/558601338.db2.gz AKRGXFYHPNUJTA-FQEVSTJZSA-N -1 3 417.456 5.292 50 0 HKAAHM Cc1ccc(SCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000004496445 558615203 /nfs/dbraw/zinc/61/52/03/558615203.db2.gz ZNPMYKBAQHKGBY-UHFFFAOYSA-N -1 3 406.532 5.708 50 0 HKAAHM O=C(CSc1ccc(F)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000004496716 558611063 /nfs/dbraw/zinc/61/10/63/558611063.db2.gz LWDCDJBBNRMNOJ-UHFFFAOYSA-N -1 3 410.495 5.539 50 0 HKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000004548570 557565875 /nfs/dbraw/zinc/56/58/75/557565875.db2.gz LBFJCTRRSPVIAF-UHFFFAOYSA-N -1 3 409.511 5.057 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1 ZINC000004548633 557565910 /nfs/dbraw/zinc/56/59/10/557565910.db2.gz OHQUUUDZBUIXSF-UHFFFAOYSA-N -1 3 414.914 5.010 50 0 HKAAHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004578101 557569645 /nfs/dbraw/zinc/56/96/45/557569645.db2.gz DTQXNSVFABOJQH-VLZNNYHMSA-N -1 3 402.387 5.267 50 0 HKAAHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004578102 557569620 /nfs/dbraw/zinc/56/96/20/557569620.db2.gz DTQXNSVFABOJQH-HPXCNGPASA-N -1 3 402.387 5.267 50 0 HKAAHM CSc1ccccc1-c1nnc([N-]C(=O)c2sc3ccccc3c2Cl)o1 ZINC000004585563 558780540 /nfs/dbraw/zinc/78/05/40/558780540.db2.gz BBWGFMUOLMTJCT-UHFFFAOYSA-N -1 3 401.900 5.579 50 0 HKAAHM CSc1ccc(-c2nnc([N-]C(=O)c3sc4ccccc4c3Cl)o2)cc1 ZINC000004585613 558780516 /nfs/dbraw/zinc/78/05/16/558780516.db2.gz CBHOGFHXDRIAPD-UHFFFAOYSA-N -1 3 401.900 5.579 50 0 HKAAHM COc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000004593275 558831237 /nfs/dbraw/zinc/83/12/37/558831237.db2.gz PJDNNKNPNDFRHU-UHFFFAOYSA-N -1 3 408.929 5.696 50 0 HKAAHM O=c1cc(O)[n-]c2c1sc1nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12 ZINC000004620449 557573390 /nfs/dbraw/zinc/57/33/90/557573390.db2.gz COTDOTVXILERMI-UHFFFAOYSA-N -1 3 404.878 5.831 50 0 HKAAHM CCOc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000004623277 558885754 /nfs/dbraw/zinc/88/57/54/558885754.db2.gz MWGJWGHORZGZAA-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000004623277 558885756 /nfs/dbraw/zinc/88/57/56/558885756.db2.gz MWGJWGHORZGZAA-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 ZINC000004625149 558888471 /nfs/dbraw/zinc/88/84/71/558888471.db2.gz MWGJWGHORZGZAA-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 ZINC000004625149 558888473 /nfs/dbraw/zinc/88/84/73/558888473.db2.gz MWGJWGHORZGZAA-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 ZINC000004660850 557577663 /nfs/dbraw/zinc/57/76/63/557577663.db2.gz WAKCKXSLXXKZHW-OAHLLOKOSA-N -1 3 413.539 5.393 50 0 HKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 ZINC000004660851 557577630 /nfs/dbraw/zinc/57/76/30/557577630.db2.gz WAKCKXSLXXKZHW-HNNXBMFYSA-N -1 3 413.539 5.393 50 0 HKAAHM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000004660863 557577725 /nfs/dbraw/zinc/57/77/25/557577725.db2.gz CBWTUGPKXMADHZ-UHFFFAOYSA-N -1 3 415.511 5.116 50 0 HKAAHM Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2[O-])nc2cnccn21 ZINC000004733442 559033483 /nfs/dbraw/zinc/03/34/83/559033483.db2.gz ATLFWSYDJHNNLC-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1cc(C)n2c(nc(-c3cc(Br)ccc3[O-])c2Nc2ccccc2)n1 ZINC000004734207 559033826 /nfs/dbraw/zinc/03/38/26/559033826.db2.gz OCVFCSJSCVIWOF-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1ccc(C)c(Nc2c(-c3cc(Br)ccc3[O-])nc3ncccn32)c1 ZINC000004734235 559033805 /nfs/dbraw/zinc/03/38/05/559033805.db2.gz KDDWQKNSWDTHSF-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3ncccn32)c(C)c1 ZINC000004734238 559033880 /nfs/dbraw/zinc/03/38/80/559033880.db2.gz YSTSQCMDBZLUPJ-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3sccn32)c(C)c1 ZINC000004734345 559033816 /nfs/dbraw/zinc/03/38/16/559033816.db2.gz KSWLAMVHPDWYIW-UHFFFAOYSA-N -1 3 414.328 5.891 50 0 HKAAHM Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2[O-])nc2ncccn21 ZINC000004735149 559034502 /nfs/dbraw/zinc/03/45/02/559034502.db2.gz UUGKBJVVRSSVKC-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3[O-])nc3ncccn32)c1 ZINC000004735180 559033931 /nfs/dbraw/zinc/03/39/31/559033931.db2.gz QZCHGGSQELLJMD-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM [O-]c1cc(OCc2ccc(Cl)cc2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000004749789 559047453 /nfs/dbraw/zinc/04/74/53/559047453.db2.gz MMPXSYNPXIREMK-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)c(Br)cc1OC ZINC000004755203 557593533 /nfs/dbraw/zinc/59/35/33/557593533.db2.gz JRYWMQPWXNITBU-CSKARUKUSA-N -1 3 400.272 5.281 50 0 HKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Br)c1OC ZINC000004755207 557593484 /nfs/dbraw/zinc/59/34/84/557593484.db2.gz MGYISEDINIAVEU-VQHVLOKHSA-N -1 3 400.272 5.281 50 0 HKAAHM CCc1cccc(C)c1Nc1c(-c2cc(Br)ccc2[O-])nc2cnccn21 ZINC000004763293 559053982 /nfs/dbraw/zinc/05/39/82/559053982.db2.gz SWQWIDOXHFFNKP-UHFFFAOYSA-N -1 3 423.314 5.479 50 0 HKAAHM O=C([O-])[C@H](Cc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004775012 557596755 /nfs/dbraw/zinc/59/67/55/557596755.db2.gz XLDAXFJBEVRMHU-SANMLTNESA-N -1 3 407.513 5.264 50 0 HKAAHM O=C([O-])[C@@H](Cc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004775020 557596772 /nfs/dbraw/zinc/59/67/72/557596772.db2.gz XLDAXFJBEVRMHU-AREMUKBSSA-N -1 3 407.513 5.264 50 0 HKAAHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 ZINC000004779443 557597426 /nfs/dbraw/zinc/59/74/26/557597426.db2.gz POLVSYOYZCVZDT-UHFFFAOYSA-N -1 3 415.986 6.765 50 0 HKAAHM Cc1c(Cl)cccc1[N-]C(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000004785678 559063743 /nfs/dbraw/zinc/06/37/43/559063743.db2.gz BROZPYQYQJSWRJ-UHFFFAOYSA-N -1 3 410.745 5.311 50 0 HKAAHM Cc1ccc(C(=O)NC([N-]c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000004785908 559063861 /nfs/dbraw/zinc/06/38/61/559063861.db2.gz NPOHNBXDCGVCGB-UHFFFAOYSA-N -1 3 404.354 5.275 50 0 HKAAHM O=C([N-]C1=NN(C(=O)Nc2ccccc2)C2(CCCCC2)S1)Nc1ccccc1 ZINC000004786573 559064199 /nfs/dbraw/zinc/06/41/99/559064199.db2.gz MTYFYYUWCBOLJM-UHFFFAOYSA-N -1 3 409.515 5.020 50 0 HKAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OCc1ccc(C)cc1 ZINC000004808262 559068555 /nfs/dbraw/zinc/06/85/55/559068555.db2.gz QYLIMVHWICRBOM-UHFFFAOYSA-N -1 3 405.523 5.664 50 0 HKAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OCc1cccc(C)c1 ZINC000004808729 559068605 /nfs/dbraw/zinc/06/86/05/559068605.db2.gz XDVQLACCUCZQNC-UHFFFAOYSA-N -1 3 405.523 5.664 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813292 559069648 /nfs/dbraw/zinc/06/96/48/559069648.db2.gz SNGQMLJBBKWJID-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813292 559069650 /nfs/dbraw/zinc/06/96/50/559069650.db2.gz SNGQMLJBBKWJID-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813293 559069635 /nfs/dbraw/zinc/06/96/35/559069635.db2.gz SNGQMLJBBKWJID-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 ZINC000004813293 559069637 /nfs/dbraw/zinc/06/96/37/559069637.db2.gz SNGQMLJBBKWJID-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813454 559069642 /nfs/dbraw/zinc/06/96/42/559069642.db2.gz ZEQIOYXUTSVFSF-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813454 559069643 /nfs/dbraw/zinc/06/96/43/559069643.db2.gz ZEQIOYXUTSVFSF-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813455 559069623 /nfs/dbraw/zinc/06/96/23/559069623.db2.gz ZEQIOYXUTSVFSF-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000004813455 559069625 /nfs/dbraw/zinc/06/96/25/559069625.db2.gz ZEQIOYXUTSVFSF-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OCc1ccccc1F ZINC000004815421 559078228 /nfs/dbraw/zinc/07/82/28/559078228.db2.gz VQGVKNXPGYLWNZ-UHFFFAOYSA-N -1 3 409.486 5.495 50 0 HKAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OCc1ccc(F)cc1 ZINC000004815648 559087589 /nfs/dbraw/zinc/08/75/89/559087589.db2.gz MVMDZFCZJKHZFG-UHFFFAOYSA-N -1 3 409.486 5.495 50 0 HKAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2F)o1 ZINC000004821112 557603083 /nfs/dbraw/zinc/60/30/83/557603083.db2.gz BJIAOFIKVFPMKB-UHFFFAOYSA-N -1 3 411.483 5.482 50 0 HKAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Br)c1OCC ZINC000004845087 557605413 /nfs/dbraw/zinc/60/54/13/557605413.db2.gz MTRDFBYKRALGGB-CSKARUKUSA-N -1 3 414.299 5.671 50 0 HKAAHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)cc(Cl)c1OCc1ccccc1 ZINC000004845257 557605491 /nfs/dbraw/zinc/60/54/91/557605491.db2.gz GCEUWHZEJLXUMQ-ZRDIBKRKSA-N -1 3 417.892 6.352 50 0 HKAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870810 559194288 /nfs/dbraw/zinc/19/42/88/559194288.db2.gz PGPJWQDSUHSNJA-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870810 559194291 /nfs/dbraw/zinc/19/42/91/559194291.db2.gz PGPJWQDSUHSNJA-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870811 559194363 /nfs/dbraw/zinc/19/43/63/559194363.db2.gz PGPJWQDSUHSNJA-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004870811 559194364 /nfs/dbraw/zinc/19/43/64/559194364.db2.gz PGPJWQDSUHSNJA-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870913 559194330 /nfs/dbraw/zinc/19/43/30/559194330.db2.gz YGPZMEPVHQSGGQ-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870913 559194332 /nfs/dbraw/zinc/19/43/32/559194332.db2.gz YGPZMEPVHQSGGQ-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870914 559194368 /nfs/dbraw/zinc/19/43/68/559194368.db2.gz YGPZMEPVHQSGGQ-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000004870914 559194369 /nfs/dbraw/zinc/19/43/69/559194369.db2.gz YGPZMEPVHQSGGQ-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000004880561 557609281 /nfs/dbraw/zinc/60/92/81/557609281.db2.gz CDDQGPQPOWGRBF-UHFFFAOYSA-N -1 3 404.875 5.102 50 0 HKAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000004881055 557609424 /nfs/dbraw/zinc/60/94/24/557609424.db2.gz YZLNMMGBHYHYGT-UHFFFAOYSA-N -1 3 404.875 5.102 50 0 HKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000004881119 557609682 /nfs/dbraw/zinc/60/96/82/557609682.db2.gz YZYJASVEEPQGFQ-UHFFFAOYSA-N -1 3 408.435 5.092 50 0 HKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000004881300 557609733 /nfs/dbraw/zinc/60/97/33/557609733.db2.gz MAKOIFRDCDNGEJ-UHFFFAOYSA-N -1 3 410.495 5.101 50 0 HKAAHM CC(C)(C)[C@@H]1CCc2onc(C(=O)[N-]c3c(F)cc(F)cc3Br)c2C1 ZINC000004881319 557609655 /nfs/dbraw/zinc/60/96/55/557609655.db2.gz UMDCEPMWPJGAHA-SECBINFHSA-N -1 3 413.262 5.119 50 0 HKAAHM CC(C)(C)[C@H]1CCc2onc(C(=O)[N-]c3c(F)cc(F)cc3Br)c2C1 ZINC000004881322 557609614 /nfs/dbraw/zinc/60/96/14/557609614.db2.gz UMDCEPMWPJGAHA-VIFPVBQESA-N -1 3 413.262 5.119 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914204 559203195 /nfs/dbraw/zinc/20/31/95/559203195.db2.gz TZHFRWYIJQYPOW-JOCHJYFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914204 559203196 /nfs/dbraw/zinc/20/31/96/559203196.db2.gz TZHFRWYIJQYPOW-JOCHJYFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914218 559203249 /nfs/dbraw/zinc/20/32/49/559203249.db2.gz TZHFRWYIJQYPOW-QFIPXVFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004914218 559203250 /nfs/dbraw/zinc/20/32/50/559203250.db2.gz TZHFRWYIJQYPOW-QFIPXVFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000004914286 559203213 /nfs/dbraw/zinc/20/32/13/559203213.db2.gz VXIGITDVCSYTLA-JOCHJYFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccnc2)cc1 ZINC000004914286 559203214 /nfs/dbraw/zinc/20/32/14/559203214.db2.gz VXIGITDVCSYTLA-JOCHJYFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000004914287 559203187 /nfs/dbraw/zinc/20/31/87/559203187.db2.gz VXIGITDVCSYTLA-QFIPXVFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccnc2)cc1 ZINC000004914287 559203189 /nfs/dbraw/zinc/20/31/89/559203189.db2.gz VXIGITDVCSYTLA-QFIPXVFZSA-N -1 3 400.869 5.183 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928643 559208490 /nfs/dbraw/zinc/20/84/90/559208490.db2.gz VHYWLZDNQWMGFY-XMMPIXPASA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928643 559208492 /nfs/dbraw/zinc/20/84/92/559208492.db2.gz VHYWLZDNQWMGFY-XMMPIXPASA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928646 559208398 /nfs/dbraw/zinc/20/83/98/559208398.db2.gz VHYWLZDNQWMGFY-DEOSSOPVSA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928646 559208400 /nfs/dbraw/zinc/20/84/00/559208400.db2.gz VHYWLZDNQWMGFY-DEOSSOPVSA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928650 559208445 /nfs/dbraw/zinc/20/84/45/559208445.db2.gz QHGRDJGNASMCOT-HSZRJFAPSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928650 559208446 /nfs/dbraw/zinc/20/84/46/559208446.db2.gz QHGRDJGNASMCOT-HSZRJFAPSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928652 559208470 /nfs/dbraw/zinc/20/84/70/559208470.db2.gz QHGRDJGNASMCOT-QHCPKHFHSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2cccc(O)c2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928652 559208471 /nfs/dbraw/zinc/20/84/71/559208471.db2.gz QHGRDJGNASMCOT-QHCPKHFHSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928654 559208477 /nfs/dbraw/zinc/20/84/77/559208477.db2.gz COXZCPOBFRGWHJ-OAQYLSRUSA-N -1 3 405.910 5.850 50 0 aggregator HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928654 559208479 /nfs/dbraw/zinc/20/84/79/559208479.db2.gz COXZCPOBFRGWHJ-OAQYLSRUSA-N -1 3 405.910 5.850 50 0 aggregator HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928656 559208501 /nfs/dbraw/zinc/20/85/01/559208501.db2.gz COXZCPOBFRGWHJ-NRFANRHFSA-N -1 3 405.910 5.850 50 0 aggregator HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2cccs2)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000004928656 559208502 /nfs/dbraw/zinc/20/85/02/559208502.db2.gz COXZCPOBFRGWHJ-NRFANRHFSA-N -1 3 405.910 5.850 50 0 aggregator HKAAHM Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928782 559208565 /nfs/dbraw/zinc/20/85/65/559208565.db2.gz FLSRZZPGKBDWRP-XMMPIXPASA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928782 559208567 /nfs/dbraw/zinc/20/85/67/559208567.db2.gz FLSRZZPGKBDWRP-XMMPIXPASA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[n-]c3C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928785 559208594 /nfs/dbraw/zinc/20/85/94/559208594.db2.gz FLSRZZPGKBDWRP-DEOSSOPVSA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000004928785 559208596 /nfs/dbraw/zinc/20/85/96/559208596.db2.gz FLSRZZPGKBDWRP-DEOSSOPVSA-N -1 3 413.908 6.097 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000004928793 559208555 /nfs/dbraw/zinc/20/85/55/559208555.db2.gz PUPHTMFZUPWQNE-HSZRJFAPSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(O)c2)cc1 ZINC000004928793 559208557 /nfs/dbraw/zinc/20/85/57/559208557.db2.gz PUPHTMFZUPWQNE-HSZRJFAPSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000004928795 559208540 /nfs/dbraw/zinc/20/85/40/559208540.db2.gz PUPHTMFZUPWQNE-QHCPKHFHSA-N -1 3 415.880 5.494 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000004928795 559208541 /nfs/dbraw/zinc/20/85/41/559208541.db2.gz PUPHTMFZUPWQNE-QHCPKHFHSA-N -1 3 415.880 5.494 50 0 HKAAHM CC(C)c1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000004933860 559210998 /nfs/dbraw/zinc/21/09/98/559210998.db2.gz MENMSPRRDBOZSF-RUZDIDTESA-N -1 3 411.480 6.089 50 0 HKAAHM CC(C)c1ccc([C@@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004933860 559210999 /nfs/dbraw/zinc/21/09/99/559210999.db2.gz MENMSPRRDBOZSF-RUZDIDTESA-N -1 3 411.480 6.089 50 0 HKAAHM CC(C)c1ccc([C@H]2c3c(-c4ccc(F)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000004933865 559210963 /nfs/dbraw/zinc/21/09/63/559210963.db2.gz MENMSPRRDBOZSF-VWLOTQADSA-N -1 3 411.480 6.089 50 0 HKAAHM CC(C)c1ccc([C@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004933865 559210965 /nfs/dbraw/zinc/21/09/65/559210965.db2.gz MENMSPRRDBOZSF-VWLOTQADSA-N -1 3 411.480 6.089 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933910 559210956 /nfs/dbraw/zinc/21/09/56/559210956.db2.gz AQOPCDLFAIPWGT-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933910 559210958 /nfs/dbraw/zinc/21/09/58/559210958.db2.gz AQOPCDLFAIPWGT-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933919 559211011 /nfs/dbraw/zinc/21/10/11/559211011.db2.gz AQOPCDLFAIPWGT-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 ZINC000004933919 559211013 /nfs/dbraw/zinc/21/10/13/559211013.db2.gz AQOPCDLFAIPWGT-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1[O-] ZINC000004935592 559210525 /nfs/dbraw/zinc/21/05/25/559210525.db2.gz DOIYAYXEIWUFPJ-ZRDIBKRKSA-N -1 3 409.272 5.569 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936048 559210773 /nfs/dbraw/zinc/21/07/73/559210773.db2.gz NGQDIDBSBLGUJW-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936048 559210774 /nfs/dbraw/zinc/21/07/74/559210774.db2.gz NGQDIDBSBLGUJW-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936050 559210740 /nfs/dbraw/zinc/21/07/40/559210740.db2.gz NGQDIDBSBLGUJW-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000004936050 559210741 /nfs/dbraw/zinc/21/07/41/559210741.db2.gz NGQDIDBSBLGUJW-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2[O-])cc1 ZINC000004945044 557616005 /nfs/dbraw/zinc/61/60/05/557616005.db2.gz UPMQMUVHMBOVIB-UHFFFAOYSA-N -1 3 408.523 5.185 50 0 HKAAHM CCOc1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000004955055 559216467 /nfs/dbraw/zinc/21/64/67/559216467.db2.gz CHZKWVBRWRDWRN-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004955055 559216468 /nfs/dbraw/zinc/21/64/68/559216468.db2.gz CHZKWVBRWRDWRN-XMMPIXPASA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[n-]c3C(=O)N2c2ccccc2)cc1 ZINC000004955057 559216517 /nfs/dbraw/zinc/21/65/17/559216517.db2.gz CHZKWVBRWRDWRN-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1ccc([C@H]2c3c(n[n-]c3-c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000004955057 559216518 /nfs/dbraw/zinc/21/65/18/559216518.db2.gz CHZKWVBRWRDWRN-DEOSSOPVSA-N -1 3 413.452 5.364 50 0 HKAAHM CCOc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc(Cl)c1[O-] ZINC000004978458 557619955 /nfs/dbraw/zinc/61/99/55/557619955.db2.gz BRQMRJLNDOODIC-UHFFFAOYSA-N -1 3 416.908 6.587 50 0 HKAAHM COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4cc(C)ccc4o3)c2)cc1OC ZINC000004988514 559224145 /nfs/dbraw/zinc/22/41/45/559224145.db2.gz DEDLKPXVBYMVIA-UHFFFAOYSA-N -1 3 418.449 5.087 50 0 HKAAHM COc1cccc(OC)c1C(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000004988517 557621823 /nfs/dbraw/zinc/62/18/23/557621823.db2.gz FLFNVKZJGYUMLN-UHFFFAOYSA-N -1 3 418.449 5.087 50 0 HKAAHM CCOc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(Br)cc1[O-] ZINC000004998353 557623209 /nfs/dbraw/zinc/62/32/09/557623209.db2.gz UCDZMMWRIXTILU-CSKARUKUSA-N -1 3 400.272 5.281 50 0 HKAAHM C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000004999441 557623409 /nfs/dbraw/zinc/62/34/09/557623409.db2.gz UVUMOKBXLPNOOR-INIZCTEOSA-N -1 3 401.491 5.181 50 0 HKAAHM C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)N(c1ccccc1)c1ccccc1 ZINC000004999442 557623456 /nfs/dbraw/zinc/62/34/56/557623456.db2.gz UVUMOKBXLPNOOR-MRXNPFEDSA-N -1 3 401.491 5.181 50 0 HKAAHM [O-]c1cc(OCc2ccc(Cl)cc2Cl)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000005025447 559230219 /nfs/dbraw/zinc/23/02/19/559230219.db2.gz JZDJSXOPSJBHOU-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(Cl)ccc3[O-])no2)cc1 ZINC000005028513 559229780 /nfs/dbraw/zinc/22/97/80/559229780.db2.gz DTAHSGPRKIXNLI-UHFFFAOYSA-N -1 3 400.862 5.061 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1F)c1ccc(F)c(F)c1 ZINC000005035410 559233195 /nfs/dbraw/zinc/23/31/95/559233195.db2.gz NCAXKXMQJYQUHA-UHFFFAOYSA-N -1 3 410.351 5.355 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccccc1F)c1cc2ccccc2o1 ZINC000005035435 559233163 /nfs/dbraw/zinc/23/31/63/559233163.db2.gz IGENNMAICYYGBJ-UHFFFAOYSA-N -1 3 414.392 5.823 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000005035467 559233217 /nfs/dbraw/zinc/23/32/17/559233217.db2.gz MIPIRPFWSOSGBR-UHFFFAOYSA-N -1 3 410.351 5.355 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(F)c1)c1cc2ccccc2o1 ZINC000005035477 559233188 /nfs/dbraw/zinc/23/31/88/559233188.db2.gz SSYULCGLNCOCIO-UHFFFAOYSA-N -1 3 414.392 5.823 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000005035502 559233359 /nfs/dbraw/zinc/23/33/59/559233359.db2.gz PJTVUEWGPKVNDV-UHFFFAOYSA-N -1 3 410.351 5.355 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000005035513 559231994 /nfs/dbraw/zinc/23/19/94/559231994.db2.gz BCIVCDQBZQWQBT-UHFFFAOYSA-N -1 3 414.392 5.823 50 0 HKAAHM CCOc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)cc1 ZINC000005035529 559231999 /nfs/dbraw/zinc/23/19/99/559231999.db2.gz XYWCCRADIJNCFV-UHFFFAOYSA-N -1 3 406.463 5.398 50 0 HKAAHM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(F)c(F)c2)cc1 ZINC000005035552 559232065 /nfs/dbraw/zinc/23/20/65/559232065.db2.gz ZFKJVVZNZDNVTG-UHFFFAOYSA-N -1 3 406.388 5.524 50 0 aggregator HKAAHM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc3ccccc3o2)cc1 ZINC000005035562 559232087 /nfs/dbraw/zinc/23/20/87/559232087.db2.gz RGQOWNPMXVKZJK-UHFFFAOYSA-N -1 3 410.429 5.992 50 0 aggregator HKAAHM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000005069259 557634051 /nfs/dbraw/zinc/63/40/51/557634051.db2.gz RIADNJZCZSTDQQ-KPKJPENVSA-N -1 3 406.894 5.974 50 0 HKAAHM O=c1nc(CNc2ccc(Br)cc2)[n-]c2scc(-c3ccccc3)c21 ZINC000005090090 557634664 /nfs/dbraw/zinc/63/46/64/557634664.db2.gz KZMSUXBLHXCMMR-UHFFFAOYSA-N -1 3 412.312 5.026 50 0 HKAAHM CCOc1c(Br)cc(/C=C/c2ccc3cccc([O-])c3n2)cc1OC ZINC000005102266 557635968 /nfs/dbraw/zinc/63/59/68/557635968.db2.gz CIPNYLBZEQYAQW-VQHVLOKHSA-N -1 3 400.272 5.281 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000005139337 559251064 /nfs/dbraw/zinc/25/10/64/559251064.db2.gz QECXKGVSJBSVDN-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000005144441 559252406 /nfs/dbraw/zinc/25/24/06/559252406.db2.gz GLCRLCRKBDQABE-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000005148258 559252965 /nfs/dbraw/zinc/25/29/65/559252965.db2.gz HPUQQMINRDRFDF-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1OC ZINC000005148781 559253107 /nfs/dbraw/zinc/25/31/07/559253107.db2.gz IPPSIFHJWORXBT-UHFFFAOYSA-N -1 3 416.477 5.354 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000005156140 559258729 /nfs/dbraw/zinc/25/87/29/559258729.db2.gz HBFSOQWZFRLBCQ-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000005163669 559275597 /nfs/dbraw/zinc/27/55/97/559275597.db2.gz SJPFVXDWTKDLOD-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000005164064 559275736 /nfs/dbraw/zinc/27/57/36/559275736.db2.gz IBBWDJWZWHBYRR-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000005164267 559275793 /nfs/dbraw/zinc/27/57/93/559275793.db2.gz ANAXXZLVTNTMKS-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000005164678 559276805 /nfs/dbraw/zinc/27/68/05/559276805.db2.gz DDIMIOYMRNEKPO-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])c1 ZINC000005176256 559288744 /nfs/dbraw/zinc/28/87/44/559288744.db2.gz AAANEFUJNGNYND-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000005176345 559288760 /nfs/dbraw/zinc/28/87/60/559288760.db2.gz LBDMHTZQLZCGAZ-UHFFFAOYSA-N -1 3 420.440 5.691 50 0 HKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000005176519 559288753 /nfs/dbraw/zinc/28/87/53/559288753.db2.gz KWWNICVORQGDBN-UHFFFAOYSA-N -1 3 402.450 5.552 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000005176828 559288762 /nfs/dbraw/zinc/28/87/62/559288762.db2.gz VFHFRXARQUBRHD-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005176864 559288770 /nfs/dbraw/zinc/28/87/70/559288770.db2.gz FXMKVOPQKWBOAW-UHFFFAOYSA-N -1 3 420.440 5.691 50 0 HKAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005176997 559288777 /nfs/dbraw/zinc/28/87/77/559288777.db2.gz JBRVCMVSKZZJDM-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OC)c([O-])c2)cc1 ZINC000005177188 559288966 /nfs/dbraw/zinc/28/89/66/559288966.db2.gz DCJJITPIJHKENB-UHFFFAOYSA-N -1 3 414.461 5.805 50 0 HKAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000005190694 559291349 /nfs/dbraw/zinc/29/13/49/559291349.db2.gz HEPRQORDROPEAR-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000005196960 559291959 /nfs/dbraw/zinc/29/19/59/559291959.db2.gz GUZWLXIIMWMCHE-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000005197609 559292066 /nfs/dbraw/zinc/29/20/66/559292066.db2.gz JOSRNNYQTXNSSN-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000005197939 559292038 /nfs/dbraw/zinc/29/20/38/559292038.db2.gz GEVXLHJUTZDFTO-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000005206015 560539460 /nfs/dbraw/zinc/53/94/60/560539460.db2.gz IXHYNDXAHLABHY-UHFFFAOYSA-N -1 3 416.308 5.135 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000005210034 560538918 /nfs/dbraw/zinc/53/89/18/560538918.db2.gz UVVDGVRNJZFWTP-UHFFFAOYSA-N -1 3 402.881 6.325 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c(C)c1 ZINC000005214438 560542824 /nfs/dbraw/zinc/54/28/24/560542824.db2.gz XMMHCOQJYRWDMU-KRWDZBQOSA-N -1 3 411.567 6.001 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c(C)c1 ZINC000005214439 560542790 /nfs/dbraw/zinc/54/27/90/560542790.db2.gz XMMHCOQJYRWDMU-QGZVFWFLSA-N -1 3 411.567 6.001 50 0 HKAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000005219042 560544064 /nfs/dbraw/zinc/54/40/64/560544064.db2.gz VSKDOILDQYWWMB-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1OC ZINC000005219095 560544126 /nfs/dbraw/zinc/54/41/26/560544126.db2.gz WSMUFMWJXFLXIS-UHFFFAOYSA-N -1 3 416.477 5.354 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005219251 560544136 /nfs/dbraw/zinc/54/41/36/560544136.db2.gz BWQLMGUXESEMNZ-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM Cc1ccn2cc(-c3cccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)c3)nc2c1 ZINC000005234745 560548101 /nfs/dbraw/zinc/54/81/01/560548101.db2.gz LHZGGPQAMANTLM-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000005248565 560549037 /nfs/dbraw/zinc/54/90/37/560549037.db2.gz BCFYGCMXTHKFFP-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1 ZINC000005248683 560549204 /nfs/dbraw/zinc/54/92/04/560549204.db2.gz AIVVFRBZDPAQQO-UHFFFAOYSA-N -1 3 406.413 5.301 50 0 HKAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005262097 560625211 /nfs/dbraw/zinc/62/52/11/560625211.db2.gz WJUFJJZJLIYFSO-UHFFFAOYSA-N -1 3 401.959 5.609 50 0 HKAAHM [O-]c1ccc(Cl)cc1-c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000005266433 560552738 /nfs/dbraw/zinc/55/27/38/560552738.db2.gz YDFPINWGBBVBEQ-UHFFFAOYSA-N -1 3 402.803 6.129 50 0 HKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2s1 ZINC000005274500 560561425 /nfs/dbraw/zinc/56/14/25/560561425.db2.gz ZACLFOLIFGNIPY-HXUWFJFHSA-N -1 3 413.424 5.315 50 0 HKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2s1 ZINC000005274501 560561463 /nfs/dbraw/zinc/56/14/63/560561463.db2.gz ZACLFOLIFGNIPY-FQEVSTJZSA-N -1 3 413.424 5.315 50 0 HKAAHM CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c([O-])cc1OCc1ccccc1 ZINC000005317973 557644668 /nfs/dbraw/zinc/64/46/68/557644668.db2.gz NMSCMZPLDFMTMW-UHFFFAOYSA-N -1 3 405.523 5.664 50 0 HKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343197 560568086 /nfs/dbraw/zinc/56/80/86/560568086.db2.gz ITHGACMVCHWOCJ-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343197 560568087 /nfs/dbraw/zinc/56/80/87/560568087.db2.gz ITHGACMVCHWOCJ-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343198 560568073 /nfs/dbraw/zinc/56/80/73/560568073.db2.gz ITHGACMVCHWOCJ-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000005343198 560568074 /nfs/dbraw/zinc/56/80/74/560568074.db2.gz ITHGACMVCHWOCJ-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])c1-c1ccccc1 ZINC000005343819 560566768 /nfs/dbraw/zinc/56/67/68/560566768.db2.gz JNBFOCOJLDRQMN-UHFFFAOYSA-N -1 3 408.860 6.129 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccc(OC)cc3)c([O-])c2)cc1 ZINC000005353446 560569251 /nfs/dbraw/zinc/56/92/51/560569251.db2.gz ROLZYLWCGLOMKN-UHFFFAOYSA-N -1 3 413.473 6.253 50 0 HKAAHM COc1ccccc1-c1cnoc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000005354076 560569376 /nfs/dbraw/zinc/56/93/76/560569376.db2.gz PDXUBTGZNGGOIS-UHFFFAOYSA-N -1 3 407.853 5.955 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(Cl)cc3)c(C)c2[O-])c1Oc1ccccc1 ZINC000005359528 557646982 /nfs/dbraw/zinc/64/69/82/557646982.db2.gz JVJWIPZPXWIEIL-UHFFFAOYSA-N -1 3 420.896 6.424 50 0 HKAAHM COc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1OC ZINC000005428212 560585918 /nfs/dbraw/zinc/58/59/18/560585918.db2.gz OZVBGYWVCJWFNM-UHFFFAOYSA-N -1 3 417.461 5.619 50 0 HKAAHM Cc1noc(-c2ccc(OCc3ccc(C)cc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000005428462 560585970 /nfs/dbraw/zinc/58/59/70/560585970.db2.gz QJLDTCJXCCHZOT-UHFFFAOYSA-N -1 3 405.881 6.563 50 0 HKAAHM Cc1noc(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])c1-c1ccccc1 ZINC000005450876 560590092 /nfs/dbraw/zinc/59/00/92/560590092.db2.gz QUNFYOIJCOKVHD-UHFFFAOYSA-N -1 3 409.844 6.394 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000005451031 560590252 /nfs/dbraw/zinc/59/02/52/560590252.db2.gz JKLAKEBNMRRLPJ-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM Cc1noc(-c2ccc(OCc3ccccc3F)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000005451169 560590207 /nfs/dbraw/zinc/59/02/07/560590207.db2.gz XXCXUSOYNXLHIY-UHFFFAOYSA-N -1 3 409.844 6.394 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000005451183 560590238 /nfs/dbraw/zinc/59/02/38/560590238.db2.gz IHKRMCFNGNOFAO-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000005451270 560590306 /nfs/dbraw/zinc/59/03/06/560590306.db2.gz FKLLLGHNIYEWAS-UHFFFAOYSA-N -1 3 405.425 5.749 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000005451327 560590334 /nfs/dbraw/zinc/59/03/34/560590334.db2.gz IITQWWQLVAELTO-UHFFFAOYSA-N -1 3 401.462 5.919 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000005451415 560590453 /nfs/dbraw/zinc/59/04/53/560590453.db2.gz PQEXQXTYIPUHEC-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM Cc1noc(-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000005452173 560589392 /nfs/dbraw/zinc/58/93/92/560589392.db2.gz BBYPXBMOVICUCO-UHFFFAOYSA-N -1 3 409.844 6.394 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000005452205 560589488 /nfs/dbraw/zinc/58/94/88/560589488.db2.gz PZDCSFRQQOSWBZ-UHFFFAOYSA-N -1 3 405.425 5.749 50 0 HKAAHM Cc1noc(-c2ccc(OCc3ccccc3C)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000005483711 560596671 /nfs/dbraw/zinc/59/66/71/560596671.db2.gz OEYVIZBEEHPIEK-UHFFFAOYSA-N -1 3 405.881 6.563 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000005483885 560596673 /nfs/dbraw/zinc/59/66/73/560596673.db2.gz GXSPPPAQKCSJCP-UHFFFAOYSA-N -1 3 401.462 5.919 50 0 HKAAHM [O-]c1cc(OCc2ccccc2)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 ZINC000005484695 560597013 /nfs/dbraw/zinc/59/70/13/560597013.db2.gz QZCFWXJELABJAV-UHFFFAOYSA-N -1 3 411.379 6.312 50 0 HKAAHM COc1ccc(-c2cc(-c3cccs3)nc3sc4c([nH]c([O-])cc4=O)c32)cc1 ZINC000005489890 560597995 /nfs/dbraw/zinc/59/79/95/560597995.db2.gz SZELAHKXZXVMPC-UHFFFAOYSA-N -1 3 406.488 5.660 50 0 HKAAHM COc1ccccc1-c1cc(-c2cccs2)nc2sc3c([nH]c([O-])cc3=O)c21 ZINC000005490056 560598016 /nfs/dbraw/zinc/59/80/16/560598016.db2.gz OWMCOVUMJMLXFT-UHFFFAOYSA-N -1 3 406.488 5.660 50 0 HKAAHM COc1ccccc1-c1cc(-c2cccs2)nc2sc3c([n-]c(O)cc3=O)c21 ZINC000005490056 560598017 /nfs/dbraw/zinc/59/80/17/560598017.db2.gz OWMCOVUMJMLXFT-UHFFFAOYSA-N -1 3 406.488 5.660 50 0 HKAAHM CCOC(=O)c1c(C)nc2c1cc([O-])c1c2c(-c2ccccc2)[nH]n1-c1ccccc1 ZINC000005564687 557662235 /nfs/dbraw/zinc/66/22/35/557662235.db2.gz KIRLGMAIXMXIDJ-UHFFFAOYSA-N -1 3 411.461 5.365 50 0 HKAAHM COc1ccccc1[C@@H]1c2c([n-]nc2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611257 560630211 /nfs/dbraw/zinc/63/02/11/560630211.db2.gz RRXGDJZZKIQKMA-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccccc1[C@@H]1c2c(n[n-]c2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611257 560630213 /nfs/dbraw/zinc/63/02/13/560630213.db2.gz RRXGDJZZKIQKMA-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccccc1[C@H]1c2c([n-]nc2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611264 560630170 /nfs/dbraw/zinc/63/01/70/560630170.db2.gz RRXGDJZZKIQKMA-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccccc1[C@H]1c2c(n[n-]c2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000005611264 560630171 /nfs/dbraw/zinc/63/01/71/560630171.db2.gz RRXGDJZZKIQKMA-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005625993 560632486 /nfs/dbraw/zinc/63/24/86/560632486.db2.gz DZHMZJAPFUFHQZ-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000005625993 560632487 /nfs/dbraw/zinc/63/24/87/560632487.db2.gz DZHMZJAPFUFHQZ-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000005642624 560636096 /nfs/dbraw/zinc/63/60/96/560636096.db2.gz AIBCXEKWZSKDLD-HNNXBMFYSA-N -1 3 400.331 5.031 50 0 HKAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000005642669 560636054 /nfs/dbraw/zinc/63/60/54/560636054.db2.gz AIBCXEKWZSKDLD-OAHLLOKOSA-N -1 3 400.331 5.031 50 0 HKAAHM CCCCC(=O)[N-]C(Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000005645551 560636243 /nfs/dbraw/zinc/63/62/43/560636243.db2.gz AFGACEOVXWHCIB-UHFFFAOYSA-N -1 3 411.173 5.533 50 0 HKAAHM CCCCCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000005645689 560636249 /nfs/dbraw/zinc/63/62/49/560636249.db2.gz ASXZESOBTPXUBN-UHFFFAOYSA-N -1 3 412.349 5.209 50 0 HKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000005650111 560636410 /nfs/dbraw/zinc/63/64/10/560636410.db2.gz NYQMACXJRIQVAL-RDJZCZTQSA-N -1 3 407.589 6.056 50 0 HKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000005650113 560636403 /nfs/dbraw/zinc/63/64/03/560636403.db2.gz NYQMACXJRIQVAL-DOTOQJQBSA-N -1 3 407.589 6.056 50 0 HKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000005650135 560636401 /nfs/dbraw/zinc/63/64/01/560636401.db2.gz NYQMACXJRIQVAL-WBVHZDCISA-N -1 3 407.589 6.056 50 0 HKAAHM Nc1nc(=S)[n-]c2sc3c(c21)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000005650136 560636520 /nfs/dbraw/zinc/63/65/20/560636520.db2.gz NYQMACXJRIQVAL-NVXWUHKLSA-N -1 3 407.589 6.056 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(C)c(C)c3)c2)c(C)c1 ZINC000005652884 560637158 /nfs/dbraw/zinc/63/71/58/560637158.db2.gz WDHYLCKDIJOGFP-UHFFFAOYSA-N -1 3 422.550 5.282 50 0 HKAAHM CCc1ccccc1N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000005688733 560784273 /nfs/dbraw/zinc/78/42/73/560784273.db2.gz YWXZRHRFZNZGMI-SFHVURJKSA-N -1 3 420.987 5.096 50 0 HKAAHM CCc1ccccc1N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000005688735 560784291 /nfs/dbraw/zinc/78/42/91/560784291.db2.gz YWXZRHRFZNZGMI-GOSISDBHSA-N -1 3 420.987 5.096 50 0 HKAAHM CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1 ZINC000005735324 560860932 /nfs/dbraw/zinc/86/09/32/560860932.db2.gz XLUWSQGCRWFFJG-HXUWFJFHSA-N -1 3 415.559 5.048 50 0 HKAAHM CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1 ZINC000005735348 560860946 /nfs/dbraw/zinc/86/09/46/560860946.db2.gz XLUWSQGCRWFFJG-FQEVSTJZSA-N -1 3 415.559 5.048 50 0 HKAAHM O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(Cc2ccccc2)c1[O-] ZINC000005737241 557671765 /nfs/dbraw/zinc/67/17/65/557671765.db2.gz URRDYNXMSVHBOV-UHFFFAOYSA-N -1 3 406.696 6.196 50 0 HKAAHM CSc1nc(=S)c2sc3nc(CC(C)C)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000005789708 568733401 /nfs/dbraw/zinc/73/34/01/568733401.db2.gz XQCXNPJQJCFHDX-UHFFFAOYSA-N -1 3 405.614 5.674 50 0 HKAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005823001 557676458 /nfs/dbraw/zinc/67/64/58/557676458.db2.gz GOTODONRGYJFQE-FQEVSTJZSA-N -1 3 409.511 5.173 50 0 HKAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000005823035 557676466 /nfs/dbraw/zinc/67/64/66/557676466.db2.gz GOTODONRGYJFQE-HXUWFJFHSA-N -1 3 409.511 5.173 50 0 HKAAHM COc1ccc(Nc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000005837115 568825290 /nfs/dbraw/zinc/82/52/90/568825290.db2.gz KPNZDYBWCIFSGQ-UHFFFAOYSA-N -1 3 404.491 5.393 50 0 HKAAHM CCOc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2CC)cc1 ZINC000005896918 568828617 /nfs/dbraw/zinc/82/86/17/568828617.db2.gz DONUJMPKVCNWIX-FNLGWUMESA-N -1 3 402.903 5.068 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005926541 568829978 /nfs/dbraw/zinc/82/99/78/568829978.db2.gz WVWBIFLINMOEBB-UHFFFAOYSA-N -1 3 404.441 5.484 50 0 HKAAHM Cc1ccc2[nH]c(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nc2c1 ZINC000005927789 568829837 /nfs/dbraw/zinc/82/98/37/568829837.db2.gz FTGNABBSVKNGSV-UHFFFAOYSA-N -1 3 404.520 5.129 50 0 HKAAHM Cc1ccc2nc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)[nH]c2c1 ZINC000005927789 568829840 /nfs/dbraw/zinc/82/98/40/568829840.db2.gz FTGNABBSVKNGSV-UHFFFAOYSA-N -1 3 404.520 5.129 50 0 HKAAHM CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(CC)CC)cc1 ZINC000005932632 568830168 /nfs/dbraw/zinc/83/01/68/568830168.db2.gz STBABXPUZBGARC-HXUWFJFHSA-N -1 3 417.575 5.531 50 0 HKAAHM CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H](C)CCC)cc1 ZINC000005932633 568830244 /nfs/dbraw/zinc/83/02/44/568830244.db2.gz WPSBKVYQGQAQNI-MGPUTAFESA-N -1 3 417.575 5.531 50 0 HKAAHM CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000005932634 568830220 /nfs/dbraw/zinc/83/02/20/568830220.db2.gz WPSBKVYQGQAQNI-FOIQADDNSA-N -1 3 417.575 5.531 50 0 HKAAHM Cc1cc(C)c(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c(C)c1 ZINC000005938104 568831087 /nfs/dbraw/zinc/83/10/87/568831087.db2.gz PVUHSFZUAXKNCJ-UHFFFAOYSA-N -1 3 418.518 5.612 50 0 HKAAHM CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000005965511 568832849 /nfs/dbraw/zinc/83/28/49/568832849.db2.gz MYBRRXSNOPGAPS-HXUWFJFHSA-N -1 3 415.559 5.697 50 0 HKAAHM CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000005965521 568832839 /nfs/dbraw/zinc/83/28/39/568832839.db2.gz MYBRRXSNOPGAPS-FQEVSTJZSA-N -1 3 415.559 5.697 50 0 HKAAHM Cc1sc2[n-]c(COc3c(Cl)cc(Cl)c4ccc(C)nc43)nc(=O)c2c1C ZINC000006017058 568835477 /nfs/dbraw/zinc/83/54/77/568835477.db2.gz OYYSARZVIYATMA-UHFFFAOYSA-N -1 3 420.321 5.344 50 0 HKAAHM O=C(Nc1ccc(F)cc1)[C@@H](Sc1n[n-]c(-c2cccs2)n1)c1ccccc1 ZINC000006035362 568836020 /nfs/dbraw/zinc/83/60/20/568836020.db2.gz OUCDJXWHCNCBEI-KRWDZBQOSA-N -1 3 410.499 5.144 50 0 HKAAHM O=C(Nc1ccc(F)cc1)[C@H](Sc1n[n-]c(-c2cccs2)n1)c1ccccc1 ZINC000006035363 568836050 /nfs/dbraw/zinc/83/60/50/568836050.db2.gz OUCDJXWHCNCBEI-QGZVFWFLSA-N -1 3 410.499 5.144 50 0 HKAAHM CCCCCC(=O)Nc1ccc(C(=O)CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000006035403 568836023 /nfs/dbraw/zinc/83/60/23/568836023.db2.gz ABFSDLSGGLXWEL-UHFFFAOYSA-N -1 3 414.556 5.027 50 0 HKAAHM CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(CC)CC)cc1 ZINC000006066494 568991568 /nfs/dbraw/zinc/99/15/68/568991568.db2.gz STBABXPUZBGARC-FQEVSTJZSA-N -1 3 417.575 5.531 50 0 HKAAHM CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H](C)CCC)cc1 ZINC000006066497 568991559 /nfs/dbraw/zinc/99/15/59/568991559.db2.gz WPSBKVYQGQAQNI-YWZLYKJASA-N -1 3 417.575 5.531 50 0 HKAAHM CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000006066500 568991562 /nfs/dbraw/zinc/99/15/62/568991562.db2.gz WPSBKVYQGQAQNI-QRWLVFNGSA-N -1 3 417.575 5.531 50 0 HKAAHM CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H](C)CCC)cc1 ZINC000006072726 568992698 /nfs/dbraw/zinc/99/26/98/568992698.db2.gz KHWKEPOCVIFWRU-IFXJQAMLSA-N -1 3 403.548 5.141 50 0 HKAAHM CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000006072727 568992632 /nfs/dbraw/zinc/99/26/32/568992632.db2.gz KHWKEPOCVIFWRU-AUUYWEPGSA-N -1 3 403.548 5.141 50 0 HKAAHM CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H](C)CCC)cc1 ZINC000006072729 568992600 /nfs/dbraw/zinc/99/26/00/568992600.db2.gz KHWKEPOCVIFWRU-LIRRHRJNSA-N -1 3 403.548 5.141 50 0 HKAAHM CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H](C)CCC)cc1 ZINC000006072730 568992840 /nfs/dbraw/zinc/99/28/40/568992840.db2.gz KHWKEPOCVIFWRU-KUHUBIRLSA-N -1 3 403.548 5.141 50 0 HKAAHM CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000006073275 568992876 /nfs/dbraw/zinc/99/28/76/568992876.db2.gz DGXLLTLYNMJHOP-HXUWFJFHSA-N -1 3 415.559 5.285 50 0 HKAAHM CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000006073298 568992854 /nfs/dbraw/zinc/99/28/54/568992854.db2.gz DGXLLTLYNMJHOP-FQEVSTJZSA-N -1 3 415.559 5.285 50 0 HKAAHM CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000006075887 557686263 /nfs/dbraw/zinc/68/62/63/557686263.db2.gz MGEOHISOXPXOLD-LJQANCHMSA-N -1 3 401.532 5.307 50 0 HKAAHM CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000006075899 557686270 /nfs/dbraw/zinc/68/62/70/557686270.db2.gz MGEOHISOXPXOLD-IBGZPJMESA-N -1 3 401.532 5.307 50 0 HKAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006111330 569004750 /nfs/dbraw/zinc/00/47/50/569004750.db2.gz TZZZQWHOPMVDIY-IWERZKIRSA-N -1 3 421.912 5.242 50 0 HKAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006111334 569004763 /nfs/dbraw/zinc/00/47/63/569004763.db2.gz TZZZQWHOPMVDIY-HDPALTEOSA-N -1 3 421.912 5.242 50 0 HKAAHM CCCCCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2Cl)c([O-])c1 ZINC000006144046 569014450 /nfs/dbraw/zinc/01/44/50/569014450.db2.gz QVYLRVHOHBSHMM-UHFFFAOYSA-N -1 3 424.850 6.691 50 0 HKAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 ZINC000006148011 569014893 /nfs/dbraw/zinc/01/48/93/569014893.db2.gz ILXYISLXEJVQFM-UHFFFAOYSA-N -1 3 418.305 5.338 50 0 HKAAHM CC(C)(C)c1ccc(COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000006169458 557692612 /nfs/dbraw/zinc/69/26/12/557692612.db2.gz LPOLQXXVOAVOEO-UHFFFAOYSA-N -1 3 400.474 6.042 50 0 biogenic HKAAHM O=C(Nc1ccccc1Cl)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000006177507 559081088 /nfs/dbraw/zinc/08/10/88/559081088.db2.gz IUMVTSXCKJIELM-CCEZHUSRSA-N -1 3 412.898 5.005 50 0 HKAAHM Cc1ccc2c(CSc3nnc([N-]c4ccccc4F)s3)cc(=O)oc2c1C ZINC000006206896 569033093 /nfs/dbraw/zinc/03/30/93/569033093.db2.gz SHHIYIQRIPPHBQ-UHFFFAOYSA-N -1 3 413.499 5.436 50 0 HKAAHM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000006234961 569034237 /nfs/dbraw/zinc/03/42/37/569034237.db2.gz HIYXMGVVDSMNMK-UHFFFAOYSA-N -1 3 406.551 5.521 50 0 HKAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000006265234 557696716 /nfs/dbraw/zinc/69/67/16/557696716.db2.gz ZMQIKALRCJXHEP-PSLIRLAXSA-N -1 3 400.331 5.031 50 0 HKAAHM CCC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000006265240 557696712 /nfs/dbraw/zinc/69/67/12/557696712.db2.gz ZMQIKALRCJXHEP-RFAUZJTJSA-N -1 3 400.331 5.031 50 0 HKAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl ZINC000006265380 557696744 /nfs/dbraw/zinc/69/67/44/557696744.db2.gz ZMQIKALRCJXHEP-VFZGTOFNSA-N -1 3 400.331 5.031 50 0 HKAAHM CCC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl ZINC000006265386 557696986 /nfs/dbraw/zinc/69/69/86/557696986.db2.gz ZMQIKALRCJXHEP-BJOHPYRUSA-N -1 3 400.331 5.031 50 0 HKAAHM O=C([N-]c1nnc(C2CC2)s1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000006345082 569045227 /nfs/dbraw/zinc/04/52/27/569045227.db2.gz DOPYHMYMMLUCQA-UHFFFAOYSA-N -1 3 413.568 5.980 50 0 HKAAHM CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000006389023 569030589 /nfs/dbraw/zinc/03/05/89/569030589.db2.gz GNNCBTFWZJSHHP-HSZRJFAPSA-N -1 3 413.473 5.177 50 0 HKAAHM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000006389023 569030590 /nfs/dbraw/zinc/03/05/90/569030590.db2.gz GNNCBTFWZJSHHP-HSZRJFAPSA-N -1 3 413.473 5.177 50 0 HKAAHM CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000006389033 569030585 /nfs/dbraw/zinc/03/05/85/569030585.db2.gz GNNCBTFWZJSHHP-QHCPKHFHSA-N -1 3 413.473 5.177 50 0 HKAAHM CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000006389033 569030586 /nfs/dbraw/zinc/03/05/86/569030586.db2.gz GNNCBTFWZJSHHP-QHCPKHFHSA-N -1 3 413.473 5.177 50 0 HKAAHM O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000006508474 569061826 /nfs/dbraw/zinc/06/18/26/569061826.db2.gz LUHGFVXQMXKYRC-QFIPXVFZSA-N -1 3 411.486 5.121 50 0 HKAAHM O=C(c1c[nH]c2ccccc12)[C@H](Sc1nc2ccccc2c(=O)[n-]1)c1ccccc1 ZINC000006508483 569061815 /nfs/dbraw/zinc/06/18/15/569061815.db2.gz LUHGFVXQMXKYRC-JOCHJYFZSA-N -1 3 411.486 5.121 50 0 HKAAHM O=c1nc(C(Cl)=Cc2ccc(Cl)cc2)[n-]c2scc(-c3cccs3)c21 ZINC000006508559 557705983 /nfs/dbraw/zinc/70/59/83/557705983.db2.gz BAVZIZKTKPZIQJ-JYRVWZFOSA-N -1 3 405.331 6.103 50 0 HKAAHM CC(C)(C)c1ccccc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000006515949 560878218 /nfs/dbraw/zinc/87/82/18/560878218.db2.gz PYQFQUJEIVLXHQ-UHFFFAOYSA-N -1 3 416.547 5.449 50 0 HKAAHM Cc1ccc(-c2nc3cc(S(=O)(=O)[N-]c4ccccc4Cl)ccc3[nH]2)s1 ZINC000006536695 560632234 /nfs/dbraw/zinc/63/22/34/560632234.db2.gz LKOILXVAWSYGOX-UHFFFAOYSA-N -1 3 403.916 5.054 50 0 HKAAHM Cc1cc(Cl)ccc1OCc1nc(SCc2nc3ccccc3s2)n[n-]1 ZINC000006590724 569068613 /nfs/dbraw/zinc/06/86/13/569068613.db2.gz JRNUQWKDDIEAFJ-UHFFFAOYSA-N -1 3 402.932 5.248 50 0 HKAAHM CCc1cccc2c(C(=O)CSc3nnc([N-]c4ccccc4F)s3)c[nH]c21 ZINC000006620011 569074915 /nfs/dbraw/zinc/07/49/15/569074915.db2.gz KWBOAYDOURYVCQ-UHFFFAOYSA-N -1 3 412.515 5.440 50 0 HKAAHM CCc1[nH]nc(-c2cc(CC)c(OC)cc2[O-])c1-c1nnc(-c2ccccc2)s1 ZINC000006648568 569080954 /nfs/dbraw/zinc/08/09/54/569080954.db2.gz DOGCUUCAICNHJL-UHFFFAOYSA-N -1 3 406.511 5.101 50 0 HKAAHM Cc1noc(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])c1-c1ccccc1 ZINC000006662311 569085471 /nfs/dbraw/zinc/08/54/71/569085471.db2.gz SEZLFMGRZIZNGG-UHFFFAOYSA-N -1 3 409.844 6.394 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1-c1cc(=O)oc2ccc(Cl)cc21)c1ccco1 ZINC000006662525 569085618 /nfs/dbraw/zinc/08/56/18/569085618.db2.gz ANLMVMGJMGHZRX-UHFFFAOYSA-N -1 3 405.793 5.705 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000006662727 569085916 /nfs/dbraw/zinc/08/59/16/569085916.db2.gz DUXVOGPWTZNXKS-UHFFFAOYSA-N -1 3 401.462 5.919 50 0 HKAAHM CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c([O-])c1 ZINC000006669439 569086245 /nfs/dbraw/zinc/08/62/45/569086245.db2.gz NZJBTKIHHPPPKL-UHFFFAOYSA-N -1 3 409.360 5.149 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000006670191 569086770 /nfs/dbraw/zinc/08/67/70/569086770.db2.gz ZDGLBUAGPLRKHJ-UHFFFAOYSA-N -1 3 415.489 6.227 50 0 HKAAHM CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3[N-]C(=O)c3ccco3)c2c1 ZINC000006670273 569086777 /nfs/dbraw/zinc/08/67/77/569086777.db2.gz YHVMGWFFNYIZNS-UHFFFAOYSA-N -1 3 413.429 6.175 50 0 HKAAHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1sc2cccc(F)c2c1Cl ZINC000006708365 569095418 /nfs/dbraw/zinc/09/54/18/569095418.db2.gz ALQMROHFEJXWQG-UHFFFAOYSA-N -1 3 411.907 5.747 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3)cc2[O-])cc1OC ZINC000006719764 569098024 /nfs/dbraw/zinc/09/80/24/569098024.db2.gz MHCWTVIXKGCLEQ-UHFFFAOYSA-N -1 3 417.461 5.619 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000006720214 569098129 /nfs/dbraw/zinc/09/81/29/569098129.db2.gz DZHMZJAPFUFHQZ-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2F)N(c2ccc(F)cc2)C3=O)cc1 ZINC000006720214 569098131 /nfs/dbraw/zinc/09/81/31/569098131.db2.gz DZHMZJAPFUFHQZ-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM O=c1[n-]c(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2sc3c(c21)CCCC3 ZINC000006720455 569098320 /nfs/dbraw/zinc/09/83/20/569098320.db2.gz ZJTANBLTPASQAS-UHFFFAOYSA-N -1 3 400.862 5.583 50 0 HKAAHM Cc1ccc([O-])c(C2=Nc3ccccc3N=C(c3cccc(Br)c3)C2)c1 ZINC000006720718 569098955 /nfs/dbraw/zinc/09/89/55/569098955.db2.gz SNVPGUPZHCUTKD-UHFFFAOYSA-N -1 3 405.295 6.108 50 0 HKAAHM COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1[O-] ZINC000006727389 557717661 /nfs/dbraw/zinc/71/76/61/557717661.db2.gz UJASMGWZVGKARU-HRAATJIYSA-N -1 3 412.898 5.358 50 0 HKAAHM COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1[O-] ZINC000006727390 557717696 /nfs/dbraw/zinc/71/76/96/557717696.db2.gz UJASMGWZVGKARU-KKSFZXQISA-N -1 3 412.898 5.358 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000006733527 569103746 /nfs/dbraw/zinc/10/37/46/569103746.db2.gz XMOCCNUQGRASAN-UHFFFAOYSA-N -1 3 404.441 5.484 50 0 HKAAHM Cc1cc(Br)ccc1NC(=O)c1[n-]nc2c1CSc1ccccc1-2 ZINC000006748601 569108950 /nfs/dbraw/zinc/10/89/50/569108950.db2.gz JEMDGEIBGXXECZ-UHFFFAOYSA-N -1 3 400.301 5.006 50 0 HKAAHM Cc1cc(Br)ccc1NC(=O)c1n[n-]c2c1CSc1ccccc1-2 ZINC000006748601 569108951 /nfs/dbraw/zinc/10/89/51/569108951.db2.gz JEMDGEIBGXXECZ-UHFFFAOYSA-N -1 3 400.301 5.006 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000006755268 569111992 /nfs/dbraw/zinc/11/19/92/569111992.db2.gz MFHRHJWFXBXGFB-UHFFFAOYSA-N -1 3 415.489 6.227 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000006755494 569112196 /nfs/dbraw/zinc/11/21/96/569112196.db2.gz XMLIYYAKRRBVSC-UHFFFAOYSA-N -1 3 405.425 5.749 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000006755532 569112145 /nfs/dbraw/zinc/11/21/45/569112145.db2.gz VCQPIDNAMROPLG-UHFFFAOYSA-N -1 3 405.425 5.749 50 0 HKAAHM CCCOc1c(Cl)cc(C(=O)[N-]c2nonc2-c2ccc(F)cc2)cc1Cl ZINC000006756538 569112770 /nfs/dbraw/zinc/11/27/70/569112770.db2.gz WSNYVQDKFGIKGX-UHFFFAOYSA-N -1 3 410.232 5.224 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccccc3OC)c([O-])c2)cc1 ZINC000006758937 569113039 /nfs/dbraw/zinc/11/30/39/569113039.db2.gz DWLGLXWPZCMPGO-UHFFFAOYSA-N -1 3 413.473 6.253 50 0 HKAAHM COc1cccc([C@@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786927 569121994 /nfs/dbraw/zinc/12/19/94/569121994.db2.gz NVIVHCDHHUEAFE-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1cccc([C@@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786927 569121995 /nfs/dbraw/zinc/12/19/95/569121995.db2.gz NVIVHCDHHUEAFE-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1cccc([C@H]2c3c([n-]nc3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786943 569122008 /nfs/dbraw/zinc/12/20/08/569122008.db2.gz NVIVHCDHHUEAFE-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1cccc([C@H]2c3c(n[n-]c3-c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000006786943 569122009 /nfs/dbraw/zinc/12/20/09/569122009.db2.gz NVIVHCDHHUEAFE-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM CCc1ccc(CNCc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006793839 569125478 /nfs/dbraw/zinc/12/54/78/569125478.db2.gz ZAZHFWBJPVABPW-UHFFFAOYSA-N -1 3 416.496 5.379 50 0 HKAAHM Cc1ccc(CNCc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000006793854 569125535 /nfs/dbraw/zinc/12/55/35/569125535.db2.gz BJCTVFRTYLRKHO-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1cccc(CNCc2c3ccccc3n(Cc3ccc(F)cc3)c2C(=O)[O-])c1 ZINC000006793864 569125531 /nfs/dbraw/zinc/12/55/31/569125531.db2.gz CVDUJUWJZAAQSD-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1ccccc1CNCc1c2ccccc2n(Cc2ccc(F)cc2)c1C(=O)[O-] ZINC000006793872 569125473 /nfs/dbraw/zinc/12/54/73/569125473.db2.gz DNGHVURMEROKNO-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1ccccc1CNCc1c2ccccc2n(Cc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000006793956 569125517 /nfs/dbraw/zinc/12/55/17/569125517.db2.gz PVYHWFJHTBIEJN-UHFFFAOYSA-N -1 3 418.924 5.639 50 0 HKAAHM C=Cc1ccc(Cn2c3ccccc3c(CNCc3ccccc3C)c2C(=O)[O-])cc1 ZINC000006794090 569125544 /nfs/dbraw/zinc/12/55/44/569125544.db2.gz KZAINVLDXUBWOW-UHFFFAOYSA-N -1 3 410.517 5.629 50 0 HKAAHM C=Cc1ccc(Cn2c3ccccc3c(CNCc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006794096 569125447 /nfs/dbraw/zinc/12/54/47/569125447.db2.gz JBMSIXJRUHEWNF-UHFFFAOYSA-N -1 3 414.480 5.460 50 0 HKAAHM Cc1cccc(CNCc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])c1 ZINC000006794155 569125491 /nfs/dbraw/zinc/12/54/91/569125491.db2.gz AFWMEGDTXSPEEW-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1ccccc1CNCc1c2ccccc2n(Cc2cccc(F)c2)c1C(=O)[O-] ZINC000006794167 569125494 /nfs/dbraw/zinc/12/54/94/569125494.db2.gz HSMFTSAWPLTCDX-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM CCc1ccc(CNCc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])cc1 ZINC000006794212 569125513 /nfs/dbraw/zinc/12/55/13/569125513.db2.gz VRRMDFJJCKMIQH-UHFFFAOYSA-N -1 3 416.496 5.379 50 0 HKAAHM COc1ccc2c(CNCc3cccs3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006794335 569125609 /nfs/dbraw/zinc/12/56/09/569125609.db2.gz ZCONZVJVULEMRW-UHFFFAOYSA-N -1 3 420.534 5.056 50 0 HKAAHM COc1ccc2c(CNCc3cccs3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000006794600 568459214 /nfs/dbraw/zinc/45/92/14/568459214.db2.gz PTGJTYWCIPCWNA-UHFFFAOYSA-N -1 3 420.534 5.056 50 0 HKAAHM Cc1ccc2c(CNCc3cccc(Cl)c3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795426 568459574 /nfs/dbraw/zinc/45/95/74/568459574.db2.gz ZDSXWJGREBHPPD-UHFFFAOYSA-N -1 3 418.924 5.639 50 0 HKAAHM Cc1ccc2c(CNCc3ccccc3Cl)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795437 569125817 /nfs/dbraw/zinc/12/58/17/569125817.db2.gz WCGHLXBKJYZIAR-UHFFFAOYSA-N -1 3 418.924 5.639 50 0 HKAAHM Cc1ccc2c(CNCc3ccc(Cl)cc3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795439 569125875 /nfs/dbraw/zinc/12/58/75/569125875.db2.gz FKSDAGBZOBXRJY-UHFFFAOYSA-N -1 3 418.924 5.639 50 0 HKAAHM Cc1ccc2c(CNCc3cccc(F)c3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795458 569125839 /nfs/dbraw/zinc/12/58/39/569125839.db2.gz AITGWJBXYQFBPJ-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1ccc2c(CNCc3ccc(F)cc3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795466 569125885 /nfs/dbraw/zinc/12/58/85/569125885.db2.gz UJGVPBHNIQDLSW-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM Cc1ccc2c(CNCc3ccccc3F)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006795469 569125849 /nfs/dbraw/zinc/12/58/49/569125849.db2.gz PFJLXIUVZBKNOV-UHFFFAOYSA-N -1 3 402.469 5.125 50 0 HKAAHM CCc1ccc(CNCc2c3ccc(C)cc3n(Cc3ccccc3)c2C(=O)[O-])cc1 ZINC000006795471 569125819 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CN(Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)[C@H]1CCCc2ccccc21 ZINC000007327924 569233669 /nfs/dbraw/zinc/23/36/69/569233669.db2.gz FAMKWGRPMSLOFH-FQEVSTJZSA-N -1 3 401.535 5.161 50 0 HKAAHM O=c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000007328140 569233612 /nfs/dbraw/zinc/23/36/12/569233612.db2.gz DGNAVYCUSZQRHE-LSDHHAIUSA-N -1 3 413.974 5.317 50 0 HKAAHM O=c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000007328142 569233653 /nfs/dbraw/zinc/23/36/53/569233653.db2.gz DGNAVYCUSZQRHE-HUUCEWRRSA-N -1 3 413.974 5.317 50 0 HKAAHM CN(Cc1cccc(F)c1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000007487562 569240931 /nfs/dbraw/zinc/24/09/31/569240931.db2.gz VNGIARHXPWDKKV-UHFFFAOYSA-N -1 3 413.905 5.076 50 0 HKAAHM Cc1ccccc1CN(C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000007487577 569240942 /nfs/dbraw/zinc/24/09/42/569240942.db2.gz XKGUPGUFODICMH-UHFFFAOYSA-N -1 3 409.942 5.245 50 0 HKAAHM Cc1ccccc1OCc1nc(SCC(=O)c2ccc(-c3ccccc3)cc2)n[n-]1 ZINC000007537449 569247289 /nfs/dbraw/zinc/24/72/89/569247289.db2.gz NUBXJDVLEGIHID-UHFFFAOYSA-N -1 3 415.518 5.334 50 0 HKAAHM CSc1ccc(CC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000007597676 569287838 /nfs/dbraw/zinc/28/78/38/569287838.db2.gz HDLRCJPIMSCABX-UHFFFAOYSA-N -1 3 406.532 5.572 50 0 HKAAHM Cc1ccc(-c2csc3[n-]c(CN(C)[C@@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674339 569300206 /nfs/dbraw/zinc/30/02/06/569300206.db2.gz KDJVQNSWYYRGAB-GOSISDBHSA-N -1 3 421.591 5.531 50 0 HKAAHM Cc1ccc(-c2csc3[n-]c(CN(C)[C@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674340 569300191 /nfs/dbraw/zinc/30/01/91/569300191.db2.gz KDJVQNSWYYRGAB-SFHVURJKSA-N -1 3 421.591 5.531 50 0 HKAAHM O=c1nc(CNc2ccc(N3CCCCC3)cc2)[n-]c2scc(-c3ccccc3)c21 ZINC000007738527 132325566 /nfs/dbraw/zinc/32/55/66/132325566.db2.gz HDDLAHRNTUNQOY-UHFFFAOYSA-N -1 3 416.550 5.254 50 0 HKAAHM COc1ccccc1CSCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000007809716 569312240 /nfs/dbraw/zinc/31/22/40/569312240.db2.gz ZXLVQJDPQAGINK-UHFFFAOYSA-N -1 3 412.511 5.233 50 0 HKAAHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000007884008 569315140 /nfs/dbraw/zinc/31/51/40/569315140.db2.gz NGFTZDRKVZJYKR-JOCHJYFZSA-N -1 3 408.885 5.129 50 0 HKAAHM COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000007884009 569315127 /nfs/dbraw/zinc/31/51/27/569315127.db2.gz NGFTZDRKVZJYKR-QFIPXVFZSA-N -1 3 408.885 5.129 50 0 HKAAHM CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000007900915 569320164 /nfs/dbraw/zinc/32/01/64/569320164.db2.gz LWRJAADQIUPAGK-UHFFFAOYSA-N -1 3 413.905 5.076 50 0 HKAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)on2)cc1 ZINC000007987028 568965097 /nfs/dbraw/zinc/96/50/97/568965097.db2.gz VJSWYHCKIUSDBN-LJQANCHMSA-N -1 3 418.522 5.035 50 0 HKAAHM Cc1ccc(-c2cc([N-]C(=O)CN3CCC[C@H]3c3nc4ccccc4s3)on2)cc1 ZINC000007987029 568965126 /nfs/dbraw/zinc/96/51/26/568965126.db2.gz VJSWYHCKIUSDBN-IBGZPJMESA-N -1 3 418.522 5.035 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccs2)cc1 ZINC000008024968 568969144 /nfs/dbraw/zinc/96/91/44/568969144.db2.gz PWTSIVGTYSSOPJ-OAQYLSRUSA-N -1 3 405.910 5.850 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccs2)cc1 ZINC000008024968 568969146 /nfs/dbraw/zinc/96/91/46/568969146.db2.gz PWTSIVGTYSSOPJ-OAQYLSRUSA-N -1 3 405.910 5.850 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008024974 568969133 /nfs/dbraw/zinc/96/91/33/568969133.db2.gz PWTSIVGTYSSOPJ-NRFANRHFSA-N -1 3 405.910 5.850 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccs2)cc1 ZINC000008024974 568969136 /nfs/dbraw/zinc/96/91/36/568969136.db2.gz PWTSIVGTYSSOPJ-NRFANRHFSA-N -1 3 405.910 5.850 50 0 HKAAHM Cc1ccc(NC(=O)[C@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)cc1 ZINC000008132102 568975742 /nfs/dbraw/zinc/97/57/42/568975742.db2.gz WLVGIDSBLKOAIQ-GOSISDBHSA-N -1 3 406.536 5.314 50 0 HKAAHM Cc1ccc(NC(=O)[C@@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)cc1 ZINC000008132103 568975615 /nfs/dbraw/zinc/97/56/15/568975615.db2.gz WLVGIDSBLKOAIQ-SFHVURJKSA-N -1 3 406.536 5.314 50 0 HKAAHM Cc1sc2[n-]c([C@@H](C)Oc3ccc(Cl)cc3Br)nc(=O)c2c1C ZINC000008136269 568977139 /nfs/dbraw/zinc/97/71/39/568977139.db2.gz BRMVQKFNLJQNBW-MRVPVSSYSA-N -1 3 413.724 5.157 50 0 HKAAHM Cc1sc2[n-]c([C@H](C)Oc3ccc(Cl)cc3Br)nc(=O)c2c1C ZINC000008136272 568977178 /nfs/dbraw/zinc/97/71/78/568977178.db2.gz BRMVQKFNLJQNBW-QMMMGPOBSA-N -1 3 413.724 5.157 50 0 HKAAHM COc1ccc(Nc2nc(CSc3n[n-]c(-c4cccs4)n3)cs2)cc1 ZINC000008184740 568493526 /nfs/dbraw/zinc/49/35/26/568493526.db2.gz HCPCCINPWAEHTP-UHFFFAOYSA-N -1 3 401.542 5.034 50 0 HKAAHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[O-] ZINC000008188446 557774751 /nfs/dbraw/zinc/77/47/51/557774751.db2.gz CCMZAZBKMOQOHH-UHFFFAOYSA-N -1 3 402.494 5.503 50 0 HKAAHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[O-] ZINC000008188449 557774730 /nfs/dbraw/zinc/77/47/30/557774730.db2.gz XMWIEHHZEXSPGU-UHFFFAOYSA-N -1 3 415.276 5.512 50 0 HKAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000008190169 568981062 /nfs/dbraw/zinc/98/10/62/568981062.db2.gz OIELGZOUAXBIJU-UHFFFAOYSA-N -1 3 408.508 5.056 50 0 HKAAHM COCc1c2ccccc2oc1C(=O)[N-]c1nnc(-c2ccc(C(C)C)cc2)s1 ZINC000008389729 568996777 /nfs/dbraw/zinc/99/67/77/568996777.db2.gz LLWAPWBZZMEGNH-UHFFFAOYSA-N -1 3 407.495 5.473 50 0 HKAAHM Cc1cc(OCc2nc(SCC(=O)c3cc4ccccc4o3)n[n-]2)ccc1Cl ZINC000008395098 568999190 /nfs/dbraw/zinc/99/91/90/568999190.db2.gz GGXWMKFBOIVTDP-UHFFFAOYSA-N -1 3 413.886 5.067 50 0 HKAAHM Cc1cc(Cl)ccc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000008428539 568501381 /nfs/dbraw/zinc/50/13/81/568501381.db2.gz LRTGRORSSLNDOQ-UHFFFAOYSA-N -1 3 408.911 5.113 50 0 HKAAHM Cc1cccc(C(C)C)c1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000008428856 569002588 /nfs/dbraw/zinc/00/25/88/569002588.db2.gz BCUHODXTBIOWES-UHFFFAOYSA-N -1 3 416.547 5.583 50 0 HKAAHM Cc1ccc(OCc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)n[n-]2)cc1 ZINC000008550299 571078038 /nfs/dbraw/zinc/07/80/38/571078038.db2.gz CDLDSEHZCDYHRY-UHFFFAOYSA-N -1 3 415.518 5.334 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008557886 571080877 /nfs/dbraw/zinc/08/08/77/571080877.db2.gz SNISKIPGXUKRMW-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000008557886 571080880 /nfs/dbraw/zinc/08/08/80/571080880.db2.gz SNISKIPGXUKRMW-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1cc(NC(=O)c2ccc(Br)o2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000008591012 557796062 /nfs/dbraw/zinc/79/60/62/557796062.db2.gz BOMXTPNZSPDNQN-UHFFFAOYSA-N -1 3 413.227 5.117 50 0 HKAAHM COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1OC ZINC000008591104 571085862 /nfs/dbraw/zinc/08/58/62/571085862.db2.gz GIFGFWQCEXOFTP-UHFFFAOYSA-N -1 3 420.490 5.247 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008595605 571087962 /nfs/dbraw/zinc/08/79/62/571087962.db2.gz AHKDUTFBJXLQEI-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 aggregator HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(F)cc2)cc1 ZINC000008595605 571087963 /nfs/dbraw/zinc/08/79/63/571087963.db2.gz AHKDUTFBJXLQEI-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 aggregator HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595606 571087846 /nfs/dbraw/zinc/08/78/46/571087846.db2.gz AHKDUTFBJXLQEI-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 aggregator HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 ZINC000008595606 571087850 /nfs/dbraw/zinc/08/78/50/571087850.db2.gz AHKDUTFBJXLQEI-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 aggregator HKAAHM COc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(F)c(F)c2)c1 ZINC000008604023 571091265 /nfs/dbraw/zinc/09/12/65/571091265.db2.gz UNDLOMMQYTXOES-UHFFFAOYSA-N -1 3 422.387 5.224 50 0 HKAAHM Cc1ccc(-c2cn3ccccc3n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000008606674 571092315 /nfs/dbraw/zinc/09/23/15/571092315.db2.gz FZTWUVSXMSETLT-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 aggregator HKAAHM C=Cc1ccc(Cn2c(C)c(CNCc3ccc(SC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008610613 571094467 /nfs/dbraw/zinc/09/44/67/571094467.db2.gz VHQWUBLXEWFAPN-UHFFFAOYSA-N -1 3 420.578 5.506 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000008611042 571094748 /nfs/dbraw/zinc/09/47/48/571094748.db2.gz FRVLXYOUCNQWJQ-UHFFFAOYSA-N -1 3 420.553 5.237 50 0 HKAAHM Cc1c(CNCc2ccccc2C)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008611097 571094832 /nfs/dbraw/zinc/09/48/32/571094832.db2.gz SVLGZUHKSGHAGP-UHFFFAOYSA-N -1 3 404.554 5.375 50 0 HKAAHM CCOc1ccc(-c2cc([N-]C(=O)c3c(F)cccc3F)c(C(=O)OC)s2)cc1 ZINC000008611452 571094773 /nfs/dbraw/zinc/09/47/73/571094773.db2.gz WZWHILCGTTWEDP-UHFFFAOYSA-N -1 3 417.433 5.131 50 0 HKAAHM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000008619489 571096078 /nfs/dbraw/zinc/09/60/78/571096078.db2.gz IAIYQCNOPWZTNK-UHFFFAOYSA-N -1 3 406.866 5.121 50 0 HKAAHM Cc1ccc2oc(=O)c3cc(C(=O)[N-]c4cc(-c5cccc(F)c5)no4)sc3c2c1 ZINC000008690983 571101949 /nfs/dbraw/zinc/10/19/49/571101949.db2.gz VZUCNELPHXPWHY-UHFFFAOYSA-N -1 3 420.421 5.363 50 0 HKAAHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)s1 ZINC000008696108 560637609 /nfs/dbraw/zinc/63/76/09/560637609.db2.gz SRMFEERIQSVHRV-UHFFFAOYSA-N -1 3 420.943 5.071 50 0 HKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccc2)cs1 ZINC000008711458 571105460 /nfs/dbraw/zinc/10/54/60/571105460.db2.gz WVGXOXMJIKYVNY-GOSISDBHSA-N -1 3 423.847 5.329 50 0 HKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccc2)cs1 ZINC000008711464 571105487 /nfs/dbraw/zinc/10/54/87/571105487.db2.gz WVGXOXMJIKYVNY-SFHVURJKSA-N -1 3 423.847 5.329 50 0 HKAAHM [O-][C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008711472 571105434 /nfs/dbraw/zinc/10/54/34/571105434.db2.gz COGJSVVRDWFSNI-GOSISDBHSA-N -1 3 423.847 5.329 50 0 HKAAHM [O-][C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000008711475 571105468 /nfs/dbraw/zinc/10/54/68/571105468.db2.gz COGJSVVRDWFSNI-SFHVURJKSA-N -1 3 423.847 5.329 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715647 557801267 /nfs/dbraw/zinc/80/12/67/557801267.db2.gz HAUOPYAKJVGAHH-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715647 557801269 /nfs/dbraw/zinc/80/12/69/557801269.db2.gz HAUOPYAKJVGAHH-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715648 557801355 /nfs/dbraw/zinc/80/13/55/557801355.db2.gz HAUOPYAKJVGAHH-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 ZINC000008715648 557801357 /nfs/dbraw/zinc/80/13/57/557801357.db2.gz HAUOPYAKJVGAHH-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715792 557801663 /nfs/dbraw/zinc/80/16/63/557801663.db2.gz ZUOXJLUNHURXID-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715792 557801664 /nfs/dbraw/zinc/80/16/64/557801664.db2.gz ZUOXJLUNHURXID-JOCHJYFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715793 557801579 /nfs/dbraw/zinc/80/15/79/557801579.db2.gz ZUOXJLUNHURXID-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 ZINC000008715793 557801582 /nfs/dbraw/zinc/80/15/82/557801582.db2.gz ZUOXJLUNHURXID-QFIPXVFZSA-N -1 3 403.844 5.619 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000008737991 571110033 /nfs/dbraw/zinc/11/00/33/571110033.db2.gz XDNHGUYFZYYFFN-UHFFFAOYSA-N -1 3 406.869 5.690 50 0 HKAAHM [O-]c1cc(OCc2cccc(Cl)c2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008739199 571110196 /nfs/dbraw/zinc/11/01/96/571110196.db2.gz ZSNULZNMPUZKRZ-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM [O-]c1cc(OCc2c(Cl)cccc2Cl)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000008739645 571110315 /nfs/dbraw/zinc/11/03/15/571110315.db2.gz BAEQJORNLQKLCJ-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])c1 ZINC000008739668 571110199 /nfs/dbraw/zinc/11/01/99/571110199.db2.gz GXOVBEASOJWVMU-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OC)c([O-])c2)cc1 ZINC000008739753 571110285 /nfs/dbraw/zinc/11/02/85/571110285.db2.gz SFNMAPXTTRPLRH-UHFFFAOYSA-N -1 3 418.449 5.171 50 0 HKAAHM [O-]c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000008740795 571110402 /nfs/dbraw/zinc/11/04/02/571110402.db2.gz XPVYJWBTRYRYIA-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000008740894 571110595 /nfs/dbraw/zinc/11/05/95/571110595.db2.gz QMSXMZPEXCPYAU-UHFFFAOYSA-N -1 3 416.477 5.861 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000008740923 571110528 /nfs/dbraw/zinc/11/05/28/571110528.db2.gz MGWBXDWTLQGBAP-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccccc3OC)c([O-])c2)cc1 ZINC000008740992 571110585 /nfs/dbraw/zinc/11/05/85/571110585.db2.gz HIXPHFSZKMSYMA-UHFFFAOYSA-N -1 3 412.489 5.988 50 0 HKAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000008741087 571110752 /nfs/dbraw/zinc/11/07/52/571110752.db2.gz DAIZGRYWSJIACY-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1OC ZINC000008742470 571110676 /nfs/dbraw/zinc/11/06/76/571110676.db2.gz UHCCSNVBFMMPLU-UHFFFAOYSA-N -1 3 416.477 5.354 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000008743208 571111017 /nfs/dbraw/zinc/11/10/17/571111017.db2.gz NDYHGEGDJCWQPX-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3cccc(OC)c3)c([O-])c2)cc1 ZINC000008743310 571110977 /nfs/dbraw/zinc/11/09/77/571110977.db2.gz UKBIYYOLEWVCGP-UHFFFAOYSA-N -1 3 414.461 5.805 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000008743761 571110875 /nfs/dbraw/zinc/11/08/75/571110875.db2.gz QAPJHBOGBOSKTE-UHFFFAOYSA-N -1 3 414.505 5.962 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000008743782 571111058 /nfs/dbraw/zinc/11/10/58/571111058.db2.gz NLHYFXDNCQOPRH-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000008743897 571111123 /nfs/dbraw/zinc/11/11/23/571111123.db2.gz UIRCXNKDEJNYBT-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1[O-] ZINC000008743910 571110884 /nfs/dbraw/zinc/11/08/84/571110884.db2.gz NHGPAMCXDKVCDF-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM COc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000008744146 571110820 /nfs/dbraw/zinc/11/08/20/571110820.db2.gz IMTYCWWHHFCVAY-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000008744206 571111118 /nfs/dbraw/zinc/11/11/18/571111118.db2.gz OAXPRKAITOBDBW-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000008744265 571110891 /nfs/dbraw/zinc/11/08/91/571110891.db2.gz AIKPJYCYZOYVON-UHFFFAOYSA-N -1 3 416.477 5.861 50 0 HKAAHM COC(=O)c1sc([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)nc1C ZINC000008769234 571307370 /nfs/dbraw/zinc/30/73/70/571307370.db2.gz MRNNSMZNLASOII-UHFFFAOYSA-N -1 3 401.296 5.012 50 0 HKAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000008771722 571117230 /nfs/dbraw/zinc/11/72/30/571117230.db2.gz KBKZWXVUSWBONS-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000008771878 571117279 /nfs/dbraw/zinc/11/72/79/571117279.db2.gz JWNPDSOPYCVVIF-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM CCCn1c2ccccc2nc1C([O-])(c1nc2ccccc2n1CCC)C(F)(F)F ZINC000008778689 571118536 /nfs/dbraw/zinc/11/85/36/571118536.db2.gz FSVCEDJYRCIDLZ-UHFFFAOYSA-N -1 3 416.447 5.004 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc(Br)cc2)s1)c1c(F)cccc1Cl ZINC000008791306 571119909 /nfs/dbraw/zinc/11/99/09/571119909.db2.gz HHHWMYJKMNEGMA-UHFFFAOYSA-N -1 3 412.671 5.012 50 0 HKAAHM O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1-c1ccccc1 ZINC000008816869 571121426 /nfs/dbraw/zinc/12/14/26/571121426.db2.gz CHMRMKGDLMVHLS-JLHYYAGUSA-N -1 3 419.278 5.024 50 0 HKAAHM O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc([N-]c2ccccc2F)s1 ZINC000008829371 571122809 /nfs/dbraw/zinc/12/28/09/571122809.db2.gz NARZPCMTHLCMSZ-UHFFFAOYSA-N -1 3 408.241 5.501 50 0 HKAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000008856434 571127977 /nfs/dbraw/zinc/12/79/77/571127977.db2.gz GBOTZLORXIKNTO-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OC/C=C/c3ccccc3)cc2[O-])cc1 ZINC000008856435 571128105 /nfs/dbraw/zinc/12/81/05/571128105.db2.gz ZPRARJGPFXWDTM-RMKNXTFCSA-N -1 3 412.489 5.859 50 0 HKAAHM Cc1cc(C)cc(NC(=O)[C@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000008860822 571128414 /nfs/dbraw/zinc/12/84/14/571128414.db2.gz AJYCJROENKLXRD-LJQANCHMSA-N -1 3 420.563 5.622 50 0 HKAAHM Cc1cc(C)cc(NC(=O)[C@@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000008860824 571128400 /nfs/dbraw/zinc/12/84/00/571128400.db2.gz AJYCJROENKLXRD-IBGZPJMESA-N -1 3 420.563 5.622 50 0 HKAAHM CCCCOc1c(Cl)cc(C(=O)[N-]c2nonc2-c2ccccc2)cc1Cl ZINC000008869491 571129870 /nfs/dbraw/zinc/12/98/70/571129870.db2.gz WWIVOSAJIYQFKA-UHFFFAOYSA-N -1 3 406.269 5.475 50 0 HKAAHM O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[N-]C(=O)c1cccs1 ZINC000008901144 571144698 /nfs/dbraw/zinc/14/46/98/571144698.db2.gz GSIINRNGSIPHGY-UHFFFAOYSA-N -1 3 420.515 5.119 50 0 HKAAHM Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(-c2nc3ncccc3o2)c1[O-] ZINC000008902329 557813469 /nfs/dbraw/zinc/81/34/69/557813469.db2.gz LDNHIVRWIWHTBD-UHFFFAOYSA-N -1 3 417.509 5.449 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2ccccc2C)cc1[O-] ZINC000008913862 571150322 /nfs/dbraw/zinc/15/03/22/571150322.db2.gz XOMAIQZCNYNQNU-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM [O-]c1cc(OCc2ccccc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000008913909 571150263 /nfs/dbraw/zinc/15/02/63/571150263.db2.gz SQSCKSLXGFZBPQ-UHFFFAOYSA-N -1 3 411.288 6.335 50 0 HKAAHM COc1ccccc1-c1c(-c2ccc(OCC=C(C)C)cc2[O-])n[nH]c1C(F)(F)F ZINC000008914261 571150340 /nfs/dbraw/zinc/15/03/40/571150340.db2.gz QQKAKXMVDJQVPG-UHFFFAOYSA-N -1 3 418.415 5.822 50 0 HKAAHM CCOC(=O)c1sc([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)nc1C ZINC000008914454 557813948 /nfs/dbraw/zinc/81/39/48/557813948.db2.gz WMFMXXWWUKSPKH-UHFFFAOYSA-N -1 3 415.323 5.402 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(OC)c3)cc2[O-])cc1 ZINC000008914464 571150222 /nfs/dbraw/zinc/15/02/22/571150222.db2.gz LZGVSNHWSPTXJY-UHFFFAOYSA-N -1 3 418.449 5.171 50 0 HKAAHM Cc1ccc2c(=O)cc(C(=O)[N-]c3oc4ccccc4c3C(=O)c3ccccc3)oc2c1 ZINC000008915255 571150572 /nfs/dbraw/zinc/15/05/72/571150572.db2.gz SZWXSHGMMQTUTM-UHFFFAOYSA-N -1 3 423.424 5.331 50 0 HKAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ccc4ccccc4c3)nc(=O)c2c1C ZINC000008924550 571159992 /nfs/dbraw/zinc/15/99/92/571159992.db2.gz YGHCHWROWIVQCO-CYBMUJFWSA-N -1 3 424.547 5.476 50 0 HKAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ccc4ccccc4c3)nc(=O)c2c1C ZINC000008924553 571160027 /nfs/dbraw/zinc/16/00/27/571160027.db2.gz YGHCHWROWIVQCO-ZDUSSCGKSA-N -1 3 424.547 5.476 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932365 571162799 /nfs/dbraw/zinc/16/27/99/571162799.db2.gz OPNLVDNOWYMAMN-XMMPIXPASA-N -1 3 402.538 5.327 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccccc1C ZINC000008932368 571162756 /nfs/dbraw/zinc/16/27/56/571162756.db2.gz OPNLVDNOWYMAMN-DEOSSOPVSA-N -1 3 402.538 5.327 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932453 571162738 /nfs/dbraw/zinc/16/27/38/571162738.db2.gz GMQHTSWPQVSYAD-HSZRJFAPSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932454 571162781 /nfs/dbraw/zinc/16/27/81/571162781.db2.gz GMQHTSWPQVSYAD-QHCPKHFHSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932501 571162723 /nfs/dbraw/zinc/16/27/23/571162723.db2.gz VCQDXRZEQXTCGI-HSZRJFAPSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008932502 571163058 /nfs/dbraw/zinc/16/30/58/571163058.db2.gz VCQDXRZEQXTCGI-QHCPKHFHSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932557 571163079 /nfs/dbraw/zinc/16/30/79/571163079.db2.gz RJGFCIVIGOQGQZ-UHFFFAOYSA-N -1 3 410.945 5.411 50 0 HKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932561 571163116 /nfs/dbraw/zinc/16/31/16/571163116.db2.gz QXFXQVLXZBTDOR-UHFFFAOYSA-N -1 3 410.945 5.411 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932581 571163161 /nfs/dbraw/zinc/16/31/61/571163161.db2.gz RITIVUBXODPJGZ-RUZDIDTESA-N -1 3 416.565 5.635 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932582 571163067 /nfs/dbraw/zinc/16/30/67/571163067.db2.gz RITIVUBXODPJGZ-VWLOTQADSA-N -1 3 416.565 5.635 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1 ZINC000008932692 571163065 /nfs/dbraw/zinc/16/30/65/571163065.db2.gz SQHNXKMGPXQJRP-UHFFFAOYSA-N -1 3 408.567 5.172 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])cc1 ZINC000008932745 571163146 /nfs/dbraw/zinc/16/31/46/571163146.db2.gz BCFQNVCVIJYHKV-UHFFFAOYSA-N -1 3 412.530 5.002 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1F ZINC000008932754 571163084 /nfs/dbraw/zinc/16/30/84/571163084.db2.gz FQBYBSOFOWIKBC-UHFFFAOYSA-N -1 3 424.516 5.068 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932767 571163113 /nfs/dbraw/zinc/16/31/13/571163113.db2.gz XCTKDYMQZHOSCC-UHFFFAOYSA-N -1 3 412.530 5.002 50 0 HKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932793 571163122 /nfs/dbraw/zinc/16/31/22/571163122.db2.gz SGXWGSZNUKXNLR-UHFFFAOYSA-N -1 3 424.972 5.720 50 0 HKAAHM Cc1c(CNCc2cccc(C)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932800 571163062 /nfs/dbraw/zinc/16/30/62/571163062.db2.gz WNTZJASFRPSDDF-UHFFFAOYSA-N -1 3 404.554 5.375 50 0 HKAAHM Cc1c(CNCc2cccc(F)c2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000008932802 571163126 /nfs/dbraw/zinc/16/31/26/571163126.db2.gz SVCAIDGEJWUJHV-UHFFFAOYSA-N -1 3 408.517 5.206 50 0 HKAAHM COc1cccc(CNCc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])c1 ZINC000008932805 571163348 /nfs/dbraw/zinc/16/33/48/571163348.db2.gz ONXRHTFOOQBNFW-UHFFFAOYSA-N -1 3 420.553 5.075 50 0 HKAAHM CCc1ccc(CNCc2c(C)n(Cc3cccc(Cl)c3)c(C)c2C(=O)[O-])cc1 ZINC000008932830 571163457 /nfs/dbraw/zinc/16/34/57/571163457.db2.gz RCGGGEAGOQSRLX-UHFFFAOYSA-N -1 3 410.945 5.357 50 0 HKAAHM C=Cc1ccc(Cn2c(C)c(CNCc3cccc(Cl)c3)c(C(=O)[O-])c2C)cc1 ZINC000008932862 571163412 /nfs/dbraw/zinc/16/34/12/571163412.db2.gz HPLKALPJNIMCPO-UHFFFAOYSA-N -1 3 408.929 5.438 50 0 HKAAHM C=Cc1ccc(Cn2c(C)c(CNCc3ccc(Cl)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008932866 571163416 /nfs/dbraw/zinc/16/34/16/571163416.db2.gz YOUHFHAPSSZZOK-UHFFFAOYSA-N -1 3 408.929 5.438 50 0 HKAAHM C=Cc1ccc(Cn2c(C)c(CNCc3ccc(CC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008932901 571163484 /nfs/dbraw/zinc/16/34/84/571163484.db2.gz LURNVIJAOIBFKY-UHFFFAOYSA-N -1 3 402.538 5.347 50 0 HKAAHM C=Cc1ccc(Cn2c(C)c(CNCc3ccc(OCC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000008932903 571163408 /nfs/dbraw/zinc/16/34/08/571163408.db2.gz KZUBNOJIRXQMLP-UHFFFAOYSA-N -1 3 418.537 5.183 50 0 HKAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 ZINC000008961186 571189390 /nfs/dbraw/zinc/18/93/90/571189390.db2.gz STPDDPYVMLXAFY-UHFFFAOYSA-N -1 3 422.506 5.143 50 0 HKAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c1C ZINC000008961197 571189466 /nfs/dbraw/zinc/18/94/66/571189466.db2.gz MFDGJDPZJFWINF-UHFFFAOYSA-N -1 3 422.506 5.079 50 0 HKAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 ZINC000008961279 571189697 /nfs/dbraw/zinc/18/96/97/571189697.db2.gz UETCRNQPFDJFHV-UHFFFAOYSA-N -1 3 422.506 5.106 50 0 HKAAHM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc1O2 ZINC000008961280 571189737 /nfs/dbraw/zinc/18/97/37/571189737.db2.gz IYHXZUBCKUANNL-UHFFFAOYSA-N -1 3 422.506 5.079 50 0 HKAAHM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc1O2 ZINC000008961294 571189731 /nfs/dbraw/zinc/18/97/31/571189731.db2.gz NKBCEIUSTRGIIY-UHFFFAOYSA-N -1 3 422.506 5.079 50 0 HKAAHM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc1O2 ZINC000008961318 571189746 /nfs/dbraw/zinc/18/97/46/571189746.db2.gz HBTURYMZVJSFPS-UHFFFAOYSA-N -1 3 422.506 5.277 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000008970916 571197165 /nfs/dbraw/zinc/19/71/65/571197165.db2.gz MAUJPRKHQRLAGZ-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccccc3C)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008971657 571197197 /nfs/dbraw/zinc/19/71/97/571197197.db2.gz BAIYBYWAUYDJRV-UHFFFAOYSA-N -1 3 404.897 6.299 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000008972988 571197571 /nfs/dbraw/zinc/19/75/71/571197571.db2.gz PZYZUVJOPSTWME-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(C)cc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008972993 571197595 /nfs/dbraw/zinc/19/75/95/571197595.db2.gz AQQWUWLAPZDVDQ-UHFFFAOYSA-N -1 3 404.897 6.299 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])c1 ZINC000008973093 571197615 /nfs/dbraw/zinc/19/76/15/571197615.db2.gz BBRJIYYGVNNCPC-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccccc3F)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008973098 571197486 /nfs/dbraw/zinc/19/74/86/571197486.db2.gz RPCBAQHGOAAALV-UHFFFAOYSA-N -1 3 408.860 6.129 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccc(OC)cc3)c([O-])c2)cc1 ZINC000008973105 571197518 /nfs/dbraw/zinc/19/75/18/571197518.db2.gz QJZPZNMQHBFKIC-UHFFFAOYSA-N -1 3 414.461 5.805 50 0 HKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])c1 ZINC000008973161 571197544 /nfs/dbraw/zinc/19/75/44/571197544.db2.gz XVNXBMLHZFEAJI-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000008973207 571197467 /nfs/dbraw/zinc/19/74/67/571197467.db2.gz KEYBRKMGQBZQPA-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])c1 ZINC000008973215 571197582 /nfs/dbraw/zinc/19/75/82/571197582.db2.gz XUYZNSTWCYLBKM-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM CCOc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000008973360 571197491 /nfs/dbraw/zinc/19/74/91/571197491.db2.gz NLGYCYQWIGXYLX-UHFFFAOYSA-N -1 3 416.477 5.861 50 0 HKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1 ZINC000008973384 571197537 /nfs/dbraw/zinc/19/75/37/571197537.db2.gz RGECZHCMGRIRGP-UHFFFAOYSA-N -1 3 420.440 5.610 50 0 HKAAHM C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(OC)cc3)c([O-])c2)cc1 ZINC000008973433 571197604 /nfs/dbraw/zinc/19/76/04/571197604.db2.gz YITVYQOQPSQUMB-UHFFFAOYSA-N -1 3 412.489 5.988 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000008973452 571197501 /nfs/dbraw/zinc/19/75/01/571197501.db2.gz CXDKPNDOSZXUGC-UHFFFAOYSA-N -1 3 404.441 5.484 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000008973486 571197478 /nfs/dbraw/zinc/19/74/78/571197478.db2.gz BKRULFOIKBYYNO-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000008992006 557817758 /nfs/dbraw/zinc/81/77/58/557817758.db2.gz IGKZLZMNUCKZLJ-UHFFFAOYSA-N -1 3 413.260 6.068 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000008994386 571208305 /nfs/dbraw/zinc/20/83/05/571208305.db2.gz UUMXNJFIVADCLG-UHFFFAOYSA-N -1 3 400.478 5.654 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000008994399 571208208 /nfs/dbraw/zinc/20/82/08/571208208.db2.gz JMRSCASWKYCMND-UHFFFAOYSA-N -1 3 404.441 5.484 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000008994763 571208553 /nfs/dbraw/zinc/20/85/53/571208553.db2.gz GBKQHVHXDPBMGW-UHFFFAOYSA-N -1 3 408.860 6.129 50 0 HKAAHM [O-]c1cc(OCc2ccccc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC000008996120 571208874 /nfs/dbraw/zinc/20/88/74/571208874.db2.gz QPCMHOUVLFRVAS-UHFFFAOYSA-N -1 3 410.395 6.047 50 0 HKAAHM COc1cccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])c1 ZINC000008996160 571208841 /nfs/dbraw/zinc/20/88/41/571208841.db2.gz FDIOBUDMZFVAJC-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000008996172 571208704 /nfs/dbraw/zinc/20/87/04/571208704.db2.gz YVDFJDGYWUXLMU-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000008996177 571208921 /nfs/dbraw/zinc/20/89/21/571208921.db2.gz LNUSHWNIRCQOCP-UHFFFAOYSA-N -1 3 420.896 5.999 50 0 HKAAHM COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000008996570 571208894 /nfs/dbraw/zinc/20/88/94/571208894.db2.gz FCRATSARDFYBNO-UHFFFAOYSA-N -1 3 414.505 5.962 50 0 HKAAHM Cc1[nH]nc(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])c1-c1ccccc1 ZINC000008996766 571208721 /nfs/dbraw/zinc/20/87/21/571208721.db2.gz WQCGDSCBDVUSCC-UHFFFAOYSA-N -1 3 408.860 6.129 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2[O-])c1 ZINC000008996791 571208802 /nfs/dbraw/zinc/20/88/02/571208802.db2.gz OPPXKQVVWLANGU-UHFFFAOYSA-N -1 3 402.450 5.471 50 0 HKAAHM COc1ccc(Oc2c(C)[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2[O-])cc1 ZINC000008996996 571209041 /nfs/dbraw/zinc/20/90/41/571209041.db2.gz OBMVSAANWKCEPQ-UHFFFAOYSA-N -1 3 416.477 5.779 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011893 571210634 /nfs/dbraw/zinc/21/06/34/571210634.db2.gz HVWSVCWJMQHICF-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011893 571210637 /nfs/dbraw/zinc/21/06/37/571210637.db2.gz HVWSVCWJMQHICF-HSZRJFAPSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011894 571210610 /nfs/dbraw/zinc/21/06/10/571210610.db2.gz HVWSVCWJMQHICF-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009011894 571210613 /nfs/dbraw/zinc/21/06/13/571210613.db2.gz HVWSVCWJMQHICF-QHCPKHFHSA-N -1 3 401.416 5.413 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009041733 571214992 /nfs/dbraw/zinc/21/49/92/571214992.db2.gz SNISKIPGXUKRMW-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009041733 571214993 /nfs/dbraw/zinc/21/49/93/571214993.db2.gz SNISKIPGXUKRMW-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Cl)cc(C)c3[O-])oc2cc1C ZINC000009047943 557820644 /nfs/dbraw/zinc/82/06/44/557820644.db2.gz LFXSGKHOFQYWGN-UHFFFAOYSA-N -1 3 406.869 6.031 50 0 HKAAHM Cc1cc(NC(=O)c2ccccc2Cl)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000009049467 571216065 /nfs/dbraw/zinc/21/60/65/571216065.db2.gz CVKXJZVDQAVTQA-UHFFFAOYSA-N -1 3 413.260 6.068 50 0 HKAAHM [O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2)C1 ZINC000009085979 571219725 /nfs/dbraw/zinc/21/97/25/571219725.db2.gz LKBYTZXHAWQGIH-FQEVSTJZSA-N -1 3 418.294 5.618 50 0 HKAAHM [O-]c1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2)C1 ZINC000009086051 571219811 /nfs/dbraw/zinc/21/98/11/571219811.db2.gz LKBYTZXHAWQGIH-HXUWFJFHSA-N -1 3 418.294 5.618 50 0 HKAAHM O=C([N-]c1nnc(CCCOc2ccccc2)s1)c1c(Cl)cccc1Cl ZINC000009095422 557823557 /nfs/dbraw/zinc/82/35/57/557823557.db2.gz KGBSMLHYWYBPJH-UHFFFAOYSA-N -1 3 408.310 5.109 50 0 HKAAHM COc1ccc([C@@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110378 571222675 /nfs/dbraw/zinc/22/26/75/571222675.db2.gz ZJJBVIYPTSSIOF-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110378 571222677 /nfs/dbraw/zinc/22/26/77/571222677.db2.gz ZJJBVIYPTSSIOF-HSZRJFAPSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@H]2c3c([n-]nc3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110379 571222693 /nfs/dbraw/zinc/22/26/93/571222693.db2.gz ZJJBVIYPTSSIOF-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc([C@H]2c3c(n[n-]c3-c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000009110379 571222695 /nfs/dbraw/zinc/22/26/95/571222695.db2.gz ZJJBVIYPTSSIOF-QHCPKHFHSA-N -1 3 415.880 5.489 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])cc1 ZINC000009129671 571227332 /nfs/dbraw/zinc/22/73/32/571227332.db2.gz WSSHXACYMMBJPG-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])cc1 ZINC000009129763 571227282 /nfs/dbraw/zinc/22/72/82/571227282.db2.gz JYEXMHJWJWNQRK-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000009130042 571227478 /nfs/dbraw/zinc/22/74/78/571227478.db2.gz RWRBRVZXBYYPJA-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2[O-])c1 ZINC000009130563 571227584 /nfs/dbraw/zinc/22/75/84/571227584.db2.gz MZJFWENQUHFRLL-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM [O-]c1cc(OCc2ccc(Br)cc2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000009130643 571227544 /nfs/dbraw/zinc/22/75/44/571227544.db2.gz NXYMZUOAMAAXKF-UHFFFAOYSA-N -1 3 421.294 5.791 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2[O-])c1 ZINC000009130694 571227577 /nfs/dbraw/zinc/22/75/77/571227577.db2.gz ZDMTZHUKHSSDDR-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])cc1 ZINC000009130717 571227444 /nfs/dbraw/zinc/22/74/44/571227444.db2.gz BVGRMCVEYPAHNQ-UHFFFAOYSA-N -1 3 424.859 5.829 50 0 HKAAHM [O-]c1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 ZINC000009130753 571227493 /nfs/dbraw/zinc/22/74/93/571227493.db2.gz JPPJLUSQDUFJAC-UHFFFAOYSA-N -1 3 421.294 5.791 50 0 HKAAHM CCOc1cccc2cc(C(=O)[N-]c3nnc(-c4ccc5c(c4)CCCC5)o3)oc21 ZINC000009133816 571229124 /nfs/dbraw/zinc/22/91/24/571229124.db2.gz APAUCXZJSNVPFJ-UHFFFAOYSA-N -1 3 403.438 5.013 50 0 HKAAHM Cc1cc(NC(=O)c2cccc(Cl)c2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009134185 557824770 /nfs/dbraw/zinc/82/47/70/557824770.db2.gz CBBQJUCQRVVZME-UHFFFAOYSA-N -1 3 413.260 6.068 50 0 HKAAHM COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000009134671 557824780 /nfs/dbraw/zinc/82/47/80/557824780.db2.gz PBDRVJZNVIBWKG-UHFFFAOYSA-N -1 3 408.841 5.423 50 0 HKAAHM Cc1cc(NC(=O)c2cccc(Br)c2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009135219 571229615 /nfs/dbraw/zinc/22/96/15/571229615.db2.gz NURNXMCXRYARGT-UHFFFAOYSA-N -1 3 423.266 5.524 50 0 HKAAHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009145853 571230359 /nfs/dbraw/zinc/23/03/59/571230359.db2.gz FWPBLPXGTXOZKI-HNNXBMFYSA-N -1 3 421.305 5.078 50 0 HKAAHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000009145854 571230306 /nfs/dbraw/zinc/23/03/06/571230306.db2.gz FWPBLPXGTXOZKI-OAHLLOKOSA-N -1 3 421.305 5.078 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000009159293 571232244 /nfs/dbraw/zinc/23/22/44/571232244.db2.gz XUOCBARPUGKURR-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c([O-])c1 ZINC000009160032 571232298 /nfs/dbraw/zinc/23/22/98/571232298.db2.gz XGYANNNTZKAEGY-UHFFFAOYSA-N -1 3 413.193 5.239 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000009160411 571232285 /nfs/dbraw/zinc/23/22/85/571232285.db2.gz DHLDCHIZXWQIDR-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000009160519 571232328 /nfs/dbraw/zinc/23/23/28/571232328.db2.gz KWJKEISGCHODDV-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1cccc2cc(-c3nnc([N-]C(=O)c4cc(Cl)ccc4Cl)o3)oc21 ZINC000009166911 571232951 /nfs/dbraw/zinc/23/29/51/571232951.db2.gz BAGTYSZRLRGIID-UHFFFAOYSA-N -1 3 404.209 5.051 50 0 HKAAHM O=c1nc(CSc2ccc3c(c2)OCCCO3)[n-]c2scc(-c3ccccc3)c21 ZINC000009167693 571233107 /nfs/dbraw/zinc/23/31/07/571233107.db2.gz ISIOLVZHQXOOQH-UHFFFAOYSA-N -1 3 422.531 5.105 50 0 HKAAHM COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000009187784 571235381 /nfs/dbraw/zinc/23/53/81/571235381.db2.gz AFGJVCGTIHPMBU-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM Cc1ccc(SCc2cc(=O)[n-]c(Nc3nc(C)c4cccc(Cl)c4n3)n2)cc1 ZINC000009190044 557826900 /nfs/dbraw/zinc/82/69/00/557826900.db2.gz OJUPXGAOCDABEP-UHFFFAOYSA-N -1 3 423.929 5.019 50 0 HKAAHM CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3[O-])nc2c1 ZINC000009244493 557832631 /nfs/dbraw/zinc/83/26/31/557832631.db2.gz NOQXMKXXWBGITC-UHFFFAOYSA-N -1 3 421.478 5.044 50 0 HKAAHM O=C1[N-]C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)S1 ZINC000009259034 557832966 /nfs/dbraw/zinc/83/29/66/557832966.db2.gz JFVPEDHDPWRLGV-IZZDOVSWSA-N -1 3 416.705 5.171 50 0 HKAAHM CCCN(CCC)C(=O)c1oc2ccccc2c1[N-]C(=O)c1c(F)cccc1F ZINC000009265719 571244148 /nfs/dbraw/zinc/24/41/48/571244148.db2.gz HIRIDGOXNNTLKV-UHFFFAOYSA-N -1 3 400.425 5.226 50 0 HKAAHM O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(Cl)ccc1Cl ZINC000009274900 571244635 /nfs/dbraw/zinc/24/46/35/571244635.db2.gz ZPULNIXHFRCAQL-UHFFFAOYSA-N -1 3 403.052 5.603 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1Cl ZINC000009275146 571244649 /nfs/dbraw/zinc/24/46/49/571244649.db2.gz QKEMTQVTUSPPOO-UHFFFAOYSA-N -1 3 413.058 5.058 50 0 HKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3nc(C)cc(C)n32)cc1 ZINC000009289164 571245328 /nfs/dbraw/zinc/24/53/28/571245328.db2.gz DBGHAUIRNSAUDW-UHFFFAOYSA-N -1 3 423.314 5.533 50 0 HKAAHM CC(C)c1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3ncccn32)cc1 ZINC000009290199 571245457 /nfs/dbraw/zinc/24/54/57/571245457.db2.gz MBWPYDQXOLLKRR-UHFFFAOYSA-N -1 3 423.314 5.731 50 0 HKAAHM CCc1cccc(C)c1Nc1c(-c2cc(Br)ccc2[O-])nc2ncccn21 ZINC000009290201 571245433 /nfs/dbraw/zinc/24/54/33/571245433.db2.gz QERNNWOGZTZQIP-UHFFFAOYSA-N -1 3 423.314 5.479 50 0 HKAAHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000009295677 571245863 /nfs/dbraw/zinc/24/58/63/571245863.db2.gz ZXLPRDLSBGQSFG-SXGWCWSVSA-N -1 3 424.305 5.334 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308347 571246857 /nfs/dbraw/zinc/24/68/57/571246857.db2.gz ONXGPYABGOTYPQ-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308347 571246859 /nfs/dbraw/zinc/24/68/59/571246859.db2.gz ONXGPYABGOTYPQ-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308458 571246916 /nfs/dbraw/zinc/24/69/16/571246916.db2.gz ONXGPYABGOTYPQ-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 ZINC000009308458 571246918 /nfs/dbraw/zinc/24/69/18/571246918.db2.gz ONXGPYABGOTYPQ-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Fc1ccc(OCc2nc(CSc3n[n-]c(-c4cccs4)n3)cs2)cc1 ZINC000009336641 571249158 /nfs/dbraw/zinc/24/91/58/571249158.db2.gz YUXKVYAVPDFTJT-UHFFFAOYSA-N -1 3 404.517 5.000 50 0 HKAAHM COc1cccc([C@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009357669 571251218 /nfs/dbraw/zinc/25/12/18/571251218.db2.gz HXQRDCMCEMMBAS-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM COc1cccc([C@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009357669 571251219 /nfs/dbraw/zinc/25/12/19/571251219.db2.gz HXQRDCMCEMMBAS-DEOSSOPVSA-N -1 3 413.452 5.283 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358304 571251418 /nfs/dbraw/zinc/25/14/18/571251418.db2.gz LNSSITDBOGZKRZ-JOCHJYFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358304 571251420 /nfs/dbraw/zinc/25/14/20/571251420.db2.gz LNSSITDBOGZKRZ-JOCHJYFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2[n-]nc(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358305 571251411 /nfs/dbraw/zinc/25/14/11/571251411.db2.gz LNSSITDBOGZKRZ-QFIPXVFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2n[n-]c(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 ZINC000009358305 571251413 /nfs/dbraw/zinc/25/14/13/571251413.db2.gz LNSSITDBOGZKRZ-QFIPXVFZSA-N -1 3 420.299 6.133 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2Cl)cc1[O-] ZINC000009358342 571251485 /nfs/dbraw/zinc/25/14/85/571251485.db2.gz CHHXBKZRQMEZOX-UHFFFAOYSA-N -1 3 424.859 5.829 50 0 HKAAHM Cc1ccc(C)c(NC(=O)[C@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000009365798 571251898 /nfs/dbraw/zinc/25/18/98/571251898.db2.gz UTVWSUJSQGVSQV-LJQANCHMSA-N -1 3 420.563 5.622 50 0 HKAAHM Cc1ccc(C)c(NC(=O)[C@@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000009365799 571251955 /nfs/dbraw/zinc/25/19/55/571251955.db2.gz UTVWSUJSQGVSQV-IBGZPJMESA-N -1 3 420.563 5.622 50 0 HKAAHM COc1cccc([C@@H]2c3c([n-]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009373750 571252647 /nfs/dbraw/zinc/25/26/47/571252647.db2.gz HXQRDCMCEMMBAS-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM COc1cccc([C@@H]2c3c(n[n-]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000009373750 571252649 /nfs/dbraw/zinc/25/26/49/571252649.db2.gz HXQRDCMCEMMBAS-XMMPIXPASA-N -1 3 413.452 5.283 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)cc1C ZINC000009403976 571255136 /nfs/dbraw/zinc/25/51/36/571255136.db2.gz PXJGVUBYANYKMU-UHFFFAOYSA-N -1 3 423.563 5.393 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2C)c(C)c1 ZINC000009403986 571255113 /nfs/dbraw/zinc/25/51/13/571255113.db2.gz AWNQFXNKQFDLGC-UHFFFAOYSA-N -1 3 423.563 5.393 50 0 HKAAHM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000009403988 571255183 /nfs/dbraw/zinc/25/51/83/571255183.db2.gz QABLAIACLWNWCP-UHFFFAOYSA-N -1 3 423.563 5.393 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1cc(Cl)cc(Cl)c1 ZINC000009404567 571255218 /nfs/dbraw/zinc/25/52/18/571255218.db2.gz LVYUTMVMLIQCOC-UHFFFAOYSA-N -1 3 415.301 6.228 50 0 HKAAHM COc1cc(OC)cc(C(=O)C(=S)[N-]c2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000009404661 571255303 /nfs/dbraw/zinc/25/53/03/571255303.db2.gz YWJUDGKLUDDOCM-UHFFFAOYSA-N -1 3 418.474 5.134 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])cc1 ZINC000009409765 571255757 /nfs/dbraw/zinc/25/57/57/571255757.db2.gz YZDZEEFMRDTZDS-UHFFFAOYSA-N -1 3 424.859 5.829 50 0 HKAAHM COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c1 ZINC000009409916 571255726 /nfs/dbraw/zinc/25/57/26/571255726.db2.gz NAUBOKWOENJSHK-UHFFFAOYSA-N -1 3 422.868 5.816 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(Cl)cc2)cc1[O-] ZINC000009410216 571255739 /nfs/dbraw/zinc/25/57/39/571255739.db2.gz KTGIEQNEDZEBPX-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000009410256 571255760 /nfs/dbraw/zinc/25/57/60/571255760.db2.gz YVYRDQOXLUVLCK-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000009410291 571255696 /nfs/dbraw/zinc/25/56/96/571255696.db2.gz AZYCSIKQWKJQFP-UHFFFAOYSA-N -1 3 421.880 6.264 50 0 HKAAHM Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000009422842 571257475 /nfs/dbraw/zinc/25/74/75/571257475.db2.gz QTRRYVKNXTVREV-UHFFFAOYSA-N -1 3 413.477 5.354 50 0 HKAAHM COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2c(F)cccc2Cl)cc1[O-] ZINC000009424865 571257686 /nfs/dbraw/zinc/25/76/86/571257686.db2.gz WHHZEFZELMMCDZ-UHFFFAOYSA-N -1 3 424.859 5.829 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1coc2ccccc2c1=O ZINC000009434119 571258719 /nfs/dbraw/zinc/25/87/19/571258719.db2.gz ATRITJXBOJJMCV-UHFFFAOYSA-N -1 3 414.442 5.028 50 0 HKAAHM O=S(=O)([N-]C[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(Cl)s1 ZINC000009459886 571260276 /nfs/dbraw/zinc/26/02/76/571260276.db2.gz GVPSDLDAALSVOY-CQSZACIVSA-N -1 3 422.984 5.055 50 0 HKAAHM O=S(=O)([N-]C[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(Cl)s1 ZINC000009459887 571260241 /nfs/dbraw/zinc/26/02/41/571260241.db2.gz GVPSDLDAALSVOY-AWEZNQCLSA-N -1 3 422.984 5.055 50 0 HKAAHM O=c1nc(CSc2nnc(C3CCCCC3)o2)[n-]c2scc(-c3ccccc3)c21 ZINC000009478111 571261891 /nfs/dbraw/zinc/26/18/91/571261891.db2.gz OLXNLLRUMGLMCG-UHFFFAOYSA-N -1 3 424.551 5.375 50 0 HKAAHM COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4cc(Cl)ccc4o3)c2)cc1 ZINC000009485985 557844255 /nfs/dbraw/zinc/84/42/55/557844255.db2.gz DUEXUBOGSYKDJT-UHFFFAOYSA-N -1 3 408.841 5.423 50 0 HKAAHM CC(=O)c1sc2[n-]c(CSc3cc(C)c4cc(C)cc(C)c4n3)nc(=O)c2c1C ZINC000009492726 571262860 /nfs/dbraw/zinc/26/28/60/571262860.db2.gz CQZLDHAMJUPPOO-UHFFFAOYSA-N -1 3 423.563 5.261 50 0 HKAAHM Cc1ccc(Cl)cc1-n1c(=O)c2cn[n-]c2nc1SCc1ccccc1Cl ZINC000009495561 571263079 /nfs/dbraw/zinc/26/30/79/571263079.db2.gz FQEYGUYJNODHFO-UHFFFAOYSA-N -1 3 417.321 5.016 50 0 HKAAHM Cc1ccc(Cl)cc1-n1c(=O)c2c[n-]nc2nc1SCc1ccccc1Cl ZINC000009495561 571263080 /nfs/dbraw/zinc/26/30/80/571263080.db2.gz FQEYGUYJNODHFO-UHFFFAOYSA-N -1 3 417.321 5.016 50 0 HKAAHM CCc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cc3ccccc3o2)cc1 ZINC000009518320 571265603 /nfs/dbraw/zinc/26/56/03/571265603.db2.gz JMXQUXUMMSUWJE-UHFFFAOYSA-N -1 3 424.456 6.246 50 0 HKAAHM Cc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(F)c(F)c2)cc1C ZINC000009518405 571265572 /nfs/dbraw/zinc/26/55/72/571265572.db2.gz BXQUPFMGMFQKRU-UHFFFAOYSA-N -1 3 420.415 5.832 50 0 HKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)cc1OC ZINC000009518454 571265493 /nfs/dbraw/zinc/26/54/93/571265493.db2.gz MXPRMOANFDCDMO-UHFFFAOYSA-N -1 3 422.462 5.016 50 0 HKAAHM COc1ccc(C(=O)Nc2cc(C)c([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 ZINC000009531082 557845439 /nfs/dbraw/zinc/84/54/39/557845439.db2.gz GMPYSTVZZRNNGO-UHFFFAOYSA-N -1 3 402.450 5.387 50 0 HKAAHM O=C([O-])c1c(CNCc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009531296 571266949 /nfs/dbraw/zinc/26/69/49/571266949.db2.gz NEEHGPUIXWUKET-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccccc2Cl)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009531300 571266858 /nfs/dbraw/zinc/26/68/58/571266858.db2.gz WDJSEBTXDLXYIG-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000009531304 571266886 /nfs/dbraw/zinc/26/68/86/571266886.db2.gz SWSVTZSGMBZYHG-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000009531365 571266872 /nfs/dbraw/zinc/26/68/72/571266872.db2.gz VAZGFSXWCBFTER-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2cccc(Cl)c2)c2ccccc2n1Cc1cccc(F)c1 ZINC000009531592 571266998 /nfs/dbraw/zinc/26/69/98/571266998.db2.gz DFLNUZZNCSQBDZ-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccccc2Cl)c2ccccc2n1Cc1cccc(F)c1 ZINC000009531597 571266992 /nfs/dbraw/zinc/26/69/92/571266992.db2.gz UGXVDIFRXOZKIO-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(F)c1 ZINC000009531600 571267015 /nfs/dbraw/zinc/26/70/15/571267015.db2.gz LQYQTVVXXKMCGT-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM Cc1ccc(-c2csc3[n-]c(CSCc4ccc5c(c4)OCO5)nc(=O)c23)cc1 ZINC000009544437 571267575 /nfs/dbraw/zinc/26/75/75/571267575.db2.gz JHKWLLFODXMZOR-UHFFFAOYSA-N -1 3 422.531 5.122 50 0 HKAAHM Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1[O-] ZINC000009547219 571267737 /nfs/dbraw/zinc/26/77/37/571267737.db2.gz CUJWMNZJEGBTJS-UHFFFAOYSA-N -1 3 413.260 6.068 50 0 HKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(-c2cccc(Cl)c2)on1 ZINC000009597871 557846619 /nfs/dbraw/zinc/84/66/19/557846619.db2.gz QBGBYEKNEFVEIR-UHFFFAOYSA-N -1 3 413.605 5.288 50 0 HKAAHM CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000009597886 557846581 /nfs/dbraw/zinc/84/65/81/557846581.db2.gz OGUHDMLZDUDYLA-UHFFFAOYSA-N -1 3 424.503 5.561 50 0 HKAAHM CC1CCN(c2ccc(NCc3nc(=O)c4c(-c5ccco5)csc4[n-]3)cc2)CC1 ZINC000009647911 132342136 /nfs/dbraw/zinc/34/21/36/132342136.db2.gz WZNFARSJJWKWPG-UHFFFAOYSA-N -1 3 420.538 5.093 50 0 HKAAHM Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1 ZINC000009661796 571277757 /nfs/dbraw/zinc/27/77/57/571277757.db2.gz RSONDXHBCQUTLZ-UHFFFAOYSA-N -1 3 414.914 5.010 50 0 HKAAHM Cc1nc(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n(CC(C)C)c1C ZINC000009669402 571278459 /nfs/dbraw/zinc/27/84/59/571278459.db2.gz GQLUPQUKDZDSNP-UHFFFAOYSA-N -1 3 424.595 5.413 50 0 HKAAHM [O-]c1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1 ZINC000009673483 571278756 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HKAAHM Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2F)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679006 571279112 /nfs/dbraw/zinc/27/91/12/571279112.db2.gz CXONKPIYQSPYNP-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2F)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000009679006 571279114 /nfs/dbraw/zinc/27/91/14/571279114.db2.gz CXONKPIYQSPYNP-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679137 571279102 /nfs/dbraw/zinc/27/91/02/571279102.db2.gz IFZDDCJBXOYAAW-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2F)cc1 ZINC000009679137 571279104 /nfs/dbraw/zinc/27/91/04/571279104.db2.gz IFZDDCJBXOYAAW-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679139 571279143 /nfs/dbraw/zinc/27/91/43/571279143.db2.gz IFZDDCJBXOYAAW-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2F)cc1 ZINC000009679139 571279144 /nfs/dbraw/zinc/27/91/44/571279144.db2.gz IFZDDCJBXOYAAW-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000009679140 571279050 /nfs/dbraw/zinc/27/90/50/571279050.db2.gz JYHVEXODHLWPIS-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000009679140 571279051 /nfs/dbraw/zinc/27/90/51/571279051.db2.gz JYHVEXODHLWPIS-HSZRJFAPSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3[n-]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000009679142 571279243 /nfs/dbraw/zinc/27/92/43/571279243.db2.gz JYHVEXODHLWPIS-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM Cc1ccc(N2C(=O)c3n[n-]c(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000009679142 571279244 /nfs/dbraw/zinc/27/92/44/571279244.db2.gz JYHVEXODHLWPIS-QHCPKHFHSA-N -1 3 417.871 5.927 50 0 HKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679207 571279213 /nfs/dbraw/zinc/27/92/13/571279213.db2.gz SPDDVDRCADEUCQ-XMMPIXPASA-N -1 3 423.472 5.003 50 0 HKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 ZINC000009679207 571279214 /nfs/dbraw/zinc/27/92/14/571279214.db2.gz SPDDVDRCADEUCQ-XMMPIXPASA-N -1 3 423.472 5.003 50 0 HKAAHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679208 571279236 /nfs/dbraw/zinc/27/92/36/571279236.db2.gz SPDDVDRCADEUCQ-DEOSSOPVSA-N -1 3 423.472 5.003 50 0 HKAAHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 ZINC000009679208 571279237 /nfs/dbraw/zinc/27/92/37/571279237.db2.gz SPDDVDRCADEUCQ-DEOSSOPVSA-N -1 3 423.472 5.003 50 0 HKAAHM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl)[nH]c1c2C(=O)CCC1 ZINC000009685921 571279993 /nfs/dbraw/zinc/27/99/93/571279993.db2.gz OSOHEGZHLBEFKT-UHFFFAOYSA-N -1 3 416.930 5.012 50 0 HKAAHM C[C@H](Sc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009690638 557142814 /nfs/dbraw/zinc/14/28/14/557142814.db2.gz UGZMROVYQFOEQP-ZDUSSCGKSA-N -1 3 422.531 5.276 50 0 HKAAHM C[C@@H](Sc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000009690639 557142781 /nfs/dbraw/zinc/14/27/81/557142781.db2.gz UGZMROVYQFOEQP-CYBMUJFWSA-N -1 3 422.531 5.276 50 0 HKAAHM CCOc1ccc(CNCc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)cc1 ZINC000009741084 571283447 /nfs/dbraw/zinc/28/34/47/571283447.db2.gz HDHOLORTEZTRAY-UHFFFAOYSA-N -1 3 406.507 5.079 50 0 HKAAHM CC(C)Oc1ccc(CNCc2cn(-c3ccc(C(=O)[O-])s3)c3ccccc23)cc1 ZINC000009741095 571283521 /nfs/dbraw/zinc/28/35/21/571283521.db2.gz JHHZNKGBHRSMNI-UHFFFAOYSA-N -1 3 420.534 5.467 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000009746516 571283972 /nfs/dbraw/zinc/28/39/72/571283972.db2.gz LFGOVSVMDKQNSG-XMMPIXPASA-N -1 3 402.538 5.327 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000009746524 571283979 /nfs/dbraw/zinc/28/39/79/571283979.db2.gz LFGOVSVMDKQNSG-DEOSSOPVSA-N -1 3 402.538 5.327 50 0 HKAAHM Cc1c(CNCc2c(C)cc(C)cc2C)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000009746568 571283966 /nfs/dbraw/zinc/28/39/66/571283966.db2.gz JEQLASLIFNLSTB-UHFFFAOYSA-N -1 3 404.554 5.375 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000009746595 571283956 /nfs/dbraw/zinc/28/39/56/571283956.db2.gz SIVACLZJKWFXNS-UHFFFAOYSA-N -1 3 420.553 5.237 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000009746707 571283962 /nfs/dbraw/zinc/28/39/62/571283962.db2.gz KEFWSYCMZOUGPG-UHFFFAOYSA-N -1 3 424.516 5.068 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746741 571283923 /nfs/dbraw/zinc/28/39/23/571283923.db2.gz BPEYMZAHUAJTCC-HSZRJFAPSA-N -1 3 422.956 5.672 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746747 571283943 /nfs/dbraw/zinc/28/39/43/571283943.db2.gz BPEYMZAHUAJTCC-QHCPKHFHSA-N -1 3 422.956 5.672 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000009746865 571283969 /nfs/dbraw/zinc/28/39/69/571283969.db2.gz IPUAUVDSFNQYNG-HSZRJFAPSA-N -1 3 422.956 5.672 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000009746870 571283981 /nfs/dbraw/zinc/28/39/81/571283981.db2.gz IPUAUVDSFNQYNG-QHCPKHFHSA-N -1 3 422.956 5.672 50 0 HKAAHM CCOc1ccccc1CNCc1c(C)n(Cc2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC000009746995 571283977 /nfs/dbraw/zinc/28/39/77/571283977.db2.gz MUVBNXYDKJRWIP-UHFFFAOYSA-N -1 3 420.553 5.157 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000009747016 571283960 /nfs/dbraw/zinc/28/39/60/571283960.db2.gz CPSBRGCBVICJES-UHFFFAOYSA-N -1 3 422.594 5.480 50 0 HKAAHM CCc1ccc(CNCc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000009747023 571283945 /nfs/dbraw/zinc/28/39/45/571283945.db2.gz XCLIDUNSGPTMAB-UHFFFAOYSA-N -1 3 404.554 5.320 50 0 HKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000009747093 571284017 /nfs/dbraw/zinc/28/40/17/571284017.db2.gz WAMWKUCKAGPMPU-UHFFFAOYSA-N -1 3 424.972 5.720 50 0 HKAAHM COc1ccc(CNCc2c(C)n(Cc3c(C)cc(C)cc3C)c(C)c2C(=O)[O-])cc1 ZINC000009747108 571284099 /nfs/dbraw/zinc/28/40/99/571284099.db2.gz AJDWMBBSMZZLJD-UHFFFAOYSA-N -1 3 420.553 5.075 50 0 HKAAHM Cc1c(CNCc2ccc(C)cc2)c(C(=O)[O-])c(C)n1Cc1c(C)cc(C)cc1C ZINC000009747115 571284013 /nfs/dbraw/zinc/28/40/13/571284013.db2.gz YMGPXIYPZMJGAC-UHFFFAOYSA-N -1 3 404.554 5.375 50 0 HKAAHM CCc1ccc(CNCc2c(C)n(Cc3ccccc3Cl)c(C)c2C(=O)[O-])cc1 ZINC000009747251 571284082 /nfs/dbraw/zinc/28/40/82/571284082.db2.gz AKRRFPNNFUSFBC-UHFFFAOYSA-N -1 3 410.945 5.357 50 0 HKAAHM COc1cccc(Cn2c(C)c(CNCc3c(C)cc(C)cc3C)c(C(=O)[O-])c2C)c1 ZINC000009747364 571284096 /nfs/dbraw/zinc/28/40/96/571284096.db2.gz AYMYFZUVOQUZAW-UHFFFAOYSA-N -1 3 420.553 5.075 50 0 HKAAHM COc1ccc(Cn2c(C)c(CNCc3c(C)cc(C)cc3C)c(C(=O)[O-])c2C)cc1 ZINC000009747446 571284009 /nfs/dbraw/zinc/28/40/09/571284009.db2.gz YYBGDCYWGOBCQK-UHFFFAOYSA-N -1 3 420.553 5.075 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782252 571285284 /nfs/dbraw/zinc/28/52/84/571285284.db2.gz LLVQPPDJUBPJGH-JOCHJYFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782252 571285285 /nfs/dbraw/zinc/28/52/85/571285285.db2.gz LLVQPPDJUBPJGH-JOCHJYFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2[n-]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782254 571285277 /nfs/dbraw/zinc/28/52/77/571285277.db2.gz LLVQPPDJUBPJGH-QFIPXVFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=C1c2n[n-]c(-c3ccc(Cl)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000009782254 571285278 /nfs/dbraw/zinc/28/52/78/571285278.db2.gz LLVQPPDJUBPJGH-QFIPXVFZSA-N -1 3 420.299 6.133 50 0 HKAAHM O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1[O-] ZINC000009913331 557851164 /nfs/dbraw/zinc/85/11/64/557851164.db2.gz MKLBYKIGMAMRLG-SDNWHVSQSA-N -1 3 419.278 5.024 50 0 HKAAHM COc1ccccc1NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(F)c(F)c1 ZINC000009958586 571291828 /nfs/dbraw/zinc/29/18/28/571291828.db2.gz VIASCPHTNRMMOU-UHFFFAOYSA-N -1 3 422.387 5.224 50 0 HKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(F)c(F)c2)cc1 ZINC000009958831 571291857 /nfs/dbraw/zinc/29/18/57/571291857.db2.gz LQEGYWWQFZAEMJ-UHFFFAOYSA-N -1 3 422.387 5.224 50 0 HKAAHM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)c(OC)c1 ZINC000009959400 571291946 /nfs/dbraw/zinc/29/19/46/571291946.db2.gz ZLJTZBUKLNHIHZ-UHFFFAOYSA-N -1 3 422.462 5.016 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000009968985 571293193 /nfs/dbraw/zinc/29/31/93/571293193.db2.gz UOAOUOXTSJBLTG-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(F)cc2)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000009968995 571293223 /nfs/dbraw/zinc/29/32/23/571293223.db2.gz FBQPAOWZOBUQCV-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000009969011 571293171 /nfs/dbraw/zinc/29/31/71/571293171.db2.gz MUGFHHJHLRBUIC-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1F ZINC000009969027 571293213 /nfs/dbraw/zinc/29/32/13/571293213.db2.gz LRYQGEZZTPAUEZ-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1F ZINC000009969028 571293186 /nfs/dbraw/zinc/29/31/86/571293186.db2.gz ASFIWZNRGJNYMY-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM O=C([O-])c1c(CNCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1Cl ZINC000009969051 571293181 /nfs/dbraw/zinc/29/31/81/571293181.db2.gz IRKUESKCLBWINU-UHFFFAOYSA-N -1 3 422.887 5.470 50 0 HKAAHM CC(=O)c1sc([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C ZINC000009972089 571293296 /nfs/dbraw/zinc/29/32/96/571293296.db2.gz OFKZUCVIOPBHIY-UHFFFAOYSA-N -1 3 419.742 6.081 50 0 HKAAHM COc1ccc([O-])c(C2=Nc3ccccc3N=C(c3cccc(Br)c3)C2)c1 ZINC000010013470 571294037 /nfs/dbraw/zinc/29/40/37/571294037.db2.gz JSUCCTCYBFCSNP-UHFFFAOYSA-N -1 3 421.294 5.809 50 0 HKAAHM O=C(Cc1ccc(Cl)s1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000010060881 569253206 /nfs/dbraw/zinc/25/32/06/569253206.db2.gz HBLKWLJQCFISQN-UHFFFAOYSA-N -1 3 400.912 5.565 50 0 HKAAHM C[C@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1Cl ZINC000010077286 569039276 /nfs/dbraw/zinc/03/92/76/569039276.db2.gz NHYVGRREVFCBAZ-NSHDSACASA-N -1 3 422.938 5.044 50 0 HKAAHM C[C@@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1Cl ZINC000010077291 571294849 /nfs/dbraw/zinc/29/48/49/571294849.db2.gz NHYVGRREVFCBAZ-LLVKDONJSA-N -1 3 422.938 5.044 50 0 HKAAHM COc1ccc(SCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000010219157 569253789 /nfs/dbraw/zinc/25/37/89/569253789.db2.gz QUZXBIDXOYWTRZ-UHFFFAOYSA-N -1 3 422.531 5.408 50 0 HKAAHM COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2cccs2)c1 ZINC000010246611 571297989 /nfs/dbraw/zinc/29/79/89/571297989.db2.gz AYOJPEMUGCQWOO-UHFFFAOYSA-N -1 3 422.462 5.016 50 0 HKAAHM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2OC(F)F)cc1 ZINC000010515689 571304205 /nfs/dbraw/zinc/30/42/05/571304205.db2.gz WDERZWLZSGOYRG-UHFFFAOYSA-N -1 3 419.449 5.073 50 0 HKAAHM O=C([N-]c1nnc(CSc2ccccc2)o1)c1sc2ccccc2c1Cl ZINC000010689824 558386211 /nfs/dbraw/zinc/38/62/11/558386211.db2.gz XWARGCSICRGTPZ-UHFFFAOYSA-N -1 3 401.900 5.482 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc(Cl)cc2Cl)s1)c1c(F)cccc1Cl ZINC000011667411 559157027 /nfs/dbraw/zinc/15/70/27/559157027.db2.gz FUWFWQUGOWGCBR-UHFFFAOYSA-N -1 3 402.665 5.557 50 0 HKAAHM COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccccc2[O-])cc1 ZINC000011680032 559173680 /nfs/dbraw/zinc/17/36/80/559173680.db2.gz FFKRJVVUPLOBOH-UHFFFAOYSA-N -1 3 404.441 5.260 50 0 HKAAHM Cc1cc2oc(=O)cc(-c3oc4ccccc4c3[N-]C(=O)c3ccco3)c2cc1Cl ZINC000011865179 559263623 /nfs/dbraw/zinc/26/36/23/559263623.db2.gz KAPQFDHXYJEMSO-UHFFFAOYSA-N -1 3 419.820 6.013 50 0 HKAAHM COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Br)cc2)c([O-])c1 ZINC000011866395 559264157 /nfs/dbraw/zinc/26/41/57/559264157.db2.gz GEOWWQMPJGSRCF-UHFFFAOYSA-N -1 3 414.177 5.504 50 0 HKAAHM CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c([O-])cc1OCc1ccc(OC)cc1 ZINC000011867284 559263661 /nfs/dbraw/zinc/26/36/61/559263661.db2.gz ATTBISVVNCDBSA-UHFFFAOYSA-N -1 3 421.522 5.364 50 0 HKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000011913740 559267070 /nfs/dbraw/zinc/26/70/70/559267070.db2.gz GROGQWCGXAZLNI-UHFFFAOYSA-N -1 3 405.454 5.395 50 0 HKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000011913741 559267051 /nfs/dbraw/zinc/26/70/51/559267051.db2.gz XNDGNVHKNKCCOB-UHFFFAOYSA-N -1 3 411.845 5.486 50 0 HKAAHM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000011913970 559267068 /nfs/dbraw/zinc/26/70/68/559267068.db2.gz BCDGQMPCVJQMKF-UHFFFAOYSA-N -1 3 411.845 5.484 50 0 HKAAHM CCc1ccc2oc(C(=O)[N-]c3nonc3-c3ccc(OC(C)C)cc3)c(C)c2c1 ZINC000011913972 559267063 /nfs/dbraw/zinc/26/70/63/559267063.db2.gz ADELIBBXSFGDQB-UHFFFAOYSA-N -1 3 405.454 5.393 50 0 HKAAHM CCCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000011914156 559267500 /nfs/dbraw/zinc/26/75/00/559267500.db2.gz GHFWKTQUWHXXJS-UHFFFAOYSA-N -1 3 405.454 5.531 50 0 HKAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nc(-c2ccc(Br)cc2)ns1 ZINC000011914332 559267492 /nfs/dbraw/zinc/26/74/92/559267492.db2.gz MARZFUWOGFZICO-UHFFFAOYSA-N -1 3 414.284 5.275 50 0 HKAAHM Cc1c2cc(Cl)c(C)cc2oc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000011914342 559267451 /nfs/dbraw/zinc/26/74/51/559267451.db2.gz WVYGBXQCJWSQPI-UHFFFAOYSA-N -1 3 401.850 5.613 50 0 HKAAHM Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000011914922 559267704 /nfs/dbraw/zinc/26/77/04/559267704.db2.gz LDGWHACZWDMGHE-UHFFFAOYSA-N -1 3 414.284 5.275 50 0 HKAAHM Cc1cc2oc(C(=O)[N-]c3onc4c3C[C@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl ZINC000011915235 559267755 /nfs/dbraw/zinc/26/77/55/559267755.db2.gz APRPUDVISBSSSQ-GFCCVEGCSA-N -1 3 414.889 5.146 50 0 HKAAHM Cc1cc2oc(C(=O)[N-]c3onc4c3C[C@@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl ZINC000011915237 559267767 /nfs/dbraw/zinc/26/77/67/559267767.db2.gz APRPUDVISBSSSQ-LBPRGKRZSA-N -1 3 414.889 5.146 50 0 HKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OCC(C)C)cc1 ZINC000011915522 559267749 /nfs/dbraw/zinc/26/77/49/559267749.db2.gz GIUPAEAGMPVQSR-UHFFFAOYSA-N -1 3 405.454 5.387 50 0 HKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(Br)cc1 ZINC000011917303 559267928 /nfs/dbraw/zinc/26/79/28/559267928.db2.gz RWIWSZNMFGKBOJ-UHFFFAOYSA-N -1 3 412.243 5.114 50 0 HKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 ZINC000012111303 560889211 /nfs/dbraw/zinc/88/92/11/560889211.db2.gz ARGVKWMCVJSXEL-UHFFFAOYSA-N -1 3 411.845 5.404 50 0 HKAAHM COc1ccc(-c2nsc([N-]C(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)cc1 ZINC000012111362 560889251 /nfs/dbraw/zinc/88/92/51/560889251.db2.gz KFSCDRXSQCWLFV-UHFFFAOYSA-N -1 3 413.886 5.482 50 0 HKAAHM [O-]c1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c2cccnc12 ZINC000012139500 558334552 /nfs/dbraw/zinc/33/45/52/558334552.db2.gz YAASSFMFYURNFV-UHFFFAOYSA-N -1 3 419.453 5.770 50 0 HKAAHM O=c1[n-]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000012285372 569319930 /nfs/dbraw/zinc/31/99/30/569319930.db2.gz JWFBLHTZWRWSKE-UHFFFAOYSA-N -1 3 417.317 6.097 50 0 HKAAHM COc1ccc(-c2c/c(=N\c3ccc(Br)cc3)c3cc([O-])ccc3o2)cc1 ZINC000012374168 558391409 /nfs/dbraw/zinc/39/14/09/558391409.db2.gz CQYKPKLKNXNBDG-HIXSDJFHSA-N -1 3 422.278 5.809 50 0 biogenic HKAAHM COc1ccc(-c2c/c(=N\c3cccc(C(F)(F)F)c3)c3cc([O-])ccc3o2)cc1 ZINC000012374169 568519314 /nfs/dbraw/zinc/51/93/14/568519314.db2.gz URVBKEPVDHABLL-NHFJDJAPSA-N -1 3 411.379 6.065 50 0 HKAAHM NC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000012378207 568551263 /nfs/dbraw/zinc/55/12/63/568551263.db2.gz KNMZMLSQWXQQPF-UHFFFAOYSA-N -1 3 419.487 5.122 50 0 HKAAHM CN1CCN(c2cc([O-])c(Sc3nc4ccccc4s3)c3ccccc32)CC1 ZINC000012416760 132359673 /nfs/dbraw/zinc/35/96/73/132359673.db2.gz RXGPRPINTNMQKU-UHFFFAOYSA-N -1 3 407.564 5.058 50 0 HKAAHM Cc1cc(C)c2c(n1)sc(C(=O)N(C)c1ccccc1)c2[N-]C(=O)c1ccco1 ZINC000012446500 558414216 /nfs/dbraw/zinc/41/42/16/558414216.db2.gz BFQFFASVQQPGIP-UHFFFAOYSA-N -1 3 405.479 5.035 50 0 HKAAHM Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)[N-]c3cc(C(C)(C)C)no3)c2n1 ZINC000012522449 568842218 /nfs/dbraw/zinc/84/22/18/568842218.db2.gz XMYGWFGZPXWOGZ-UHFFFAOYSA-N -1 3 408.285 5.153 50 0 HKAAHM O=c1nc(CSc2ncccc2Cl)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000012553051 568854226 /nfs/dbraw/zinc/85/42/26/568854226.db2.gz AIBDGACSGMVDRG-UHFFFAOYSA-N -1 3 403.891 5.131 50 0 HKAAHM [O-]c1ccccc1-c1nc(/C=C/c2ccc(Br)cc2)nn1-c1ccccc1 ZINC000012561902 569401823 /nfs/dbraw/zinc/40/18/23/569401823.db2.gz RZCULOATVPTGON-NTCAYCPXSA-N -1 3 418.294 5.573 50 0 HKAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)c1cccc(Br)c1 ZINC000012618760 568872287 /nfs/dbraw/zinc/87/22/87/568872287.db2.gz CGQXRQIHQZVTKL-UHFFFAOYSA-N -1 3 424.320 5.158 50 0 HKAAHM Cc1cc([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 ZINC000012619448 568872508 /nfs/dbraw/zinc/87/25/08/568872508.db2.gz WJUPMOFCSCYZFZ-HXUWFJFHSA-N -1 3 408.489 6.018 50 0 HKAAHM Cc1cc([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 ZINC000012619452 568872513 /nfs/dbraw/zinc/87/25/13/568872513.db2.gz WJUPMOFCSCYZFZ-FQEVSTJZSA-N -1 3 408.489 6.018 50 0 HKAAHM C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@@H]1c1cccs1 ZINC000012620272 568877203 /nfs/dbraw/zinc/87/72/03/568877203.db2.gz VCSUQBUIIMVFRT-WMLDXEAASA-N -1 3 407.564 5.611 50 0 HKAAHM C[C@@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc(-c2ccccc2)cc1 ZINC000012621842 568877469 /nfs/dbraw/zinc/87/74/69/568877469.db2.gz RZKJRUODHHVINP-OAHLLOKOSA-N -1 3 420.563 5.170 50 0 HKAAHM C[C@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc(-c2ccccc2)cc1 ZINC000012621844 568877393 /nfs/dbraw/zinc/87/73/93/568877393.db2.gz RZKJRUODHHVINP-HNNXBMFYSA-N -1 3 420.563 5.170 50 0 HKAAHM Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)ccc3o2)c1[O-] ZINC000012651570 558443963 /nfs/dbraw/zinc/44/39/63/558443963.db2.gz DTNUTXDRUVAHAI-UHFFFAOYSA-N -1 3 422.824 5.143 50 0 HKAAHM Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4F)cc(C)c3[O-])oc2cc1C ZINC000012651600 558444017 /nfs/dbraw/zinc/44/40/17/558444017.db2.gz MOZWFHGDWDERMW-UHFFFAOYSA-N -1 3 420.440 5.282 50 0 HKAAHM COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3cc([O-])ccc3o2)cc1 ZINC000012658899 569402421 /nfs/dbraw/zinc/40/24/21/569402421.db2.gz DGQRGAIBIANUOG-NJNXFGOHSA-N -1 3 403.434 5.064 50 0 biogenic HKAAHM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000012741417 568929475 /nfs/dbraw/zinc/92/94/75/568929475.db2.gz MJOFYXQZQZZTAR-UHFFFAOYSA-N -1 3 419.506 5.060 50 0 HKAAHM Cc1sc2[n-]c(CN[C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012767330 568949289 /nfs/dbraw/zinc/94/92/89/568949289.db2.gz YNZJCBIJSPUQCQ-CQSZACIVSA-N -1 3 423.969 5.773 50 0 HKAAHM Cc1sc2[n-]c(CN[C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012767333 568949248 /nfs/dbraw/zinc/94/92/48/568949248.db2.gz YNZJCBIJSPUQCQ-AWEZNQCLSA-N -1 3 423.969 5.773 50 0 HKAAHM COc1ccc(C(=O)CC(=C([O-])c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000012769606 568950777 /nfs/dbraw/zinc/95/07/77/568950777.db2.gz LGDYVAUJJJHEFW-IBGZPJMESA-N -1 3 401.487 5.544 50 0 HKAAHM COc1ccc(C(=O)CC(=C([O-])c2ccccc2)c2nc3ccccc3s2)cc1 ZINC000012769610 568950760 /nfs/dbraw/zinc/95/07/60/568950760.db2.gz LGDYVAUJJJHEFW-LJQANCHMSA-N -1 3 401.487 5.544 50 0 HKAAHM Cc1sc2[n-]c(CN[C@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782633 568958452 /nfs/dbraw/zinc/95/84/52/568958452.db2.gz GLEACXFUSNJHJK-CQSZACIVSA-N -1 3 407.514 5.258 50 0 HKAAHM Cc1sc2[n-]c(CN[C@@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782639 568958347 /nfs/dbraw/zinc/95/83/47/568958347.db2.gz GLEACXFUSNJHJK-AWEZNQCLSA-N -1 3 407.514 5.258 50 0 HKAAHM CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012785082 568959532 /nfs/dbraw/zinc/95/95/32/568959532.db2.gz PQQNZGCGIVEBRD-UHFFFAOYSA-N -1 3 415.342 5.169 50 0 HKAAHM CC(C)c1ccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000012788062 558463842 /nfs/dbraw/zinc/46/38/42/558463842.db2.gz BLXAMKGCUSBCMK-HNNXBMFYSA-N -1 3 407.539 5.561 50 0 HKAAHM CC(C)c1ccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000012788065 558463891 /nfs/dbraw/zinc/46/38/91/558463891.db2.gz BLXAMKGCUSBCMK-OAHLLOKOSA-N -1 3 407.539 5.561 50 0 HKAAHM Cc1ccc(-c2nc(CSc3n[n-]c(COc4ccc(Cl)cc4)n3)co2)cc1 ZINC000012793747 568969322 /nfs/dbraw/zinc/96/93/22/568969322.db2.gz KBXSGDFVIYLXDC-UHFFFAOYSA-N -1 3 412.902 5.293 50 0 HKAAHM O=c1nc(CN2CCc3sccc3[C@@H]2C2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000012795168 558468191 /nfs/dbraw/zinc/46/81/91/558468191.db2.gz GAQAIRUCYYFOLQ-NRFANRHFSA-N -1 3 419.575 5.223 50 0 HKAAHM O=c1nc(CN2CCc3sccc3[C@H]2C2CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000012795172 558468225 /nfs/dbraw/zinc/46/82/25/558468225.db2.gz GAQAIRUCYYFOLQ-OAQYLSRUSA-N -1 3 419.575 5.223 50 0 HKAAHM Cc1ccccc1OCc1nc(SCC(=O)c2cc3cc(Cl)ccc3o2)n[n-]1 ZINC000012795204 558468246 /nfs/dbraw/zinc/46/82/46/558468246.db2.gz WKWGXIBWJVDNIK-UHFFFAOYSA-N -1 3 413.886 5.067 50 0 HKAAHM Cc1sc2[n-]c(CN[C@H](C)c3ccccc3Cl)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012804666 558473007 /nfs/dbraw/zinc/47/30/07/558473007.db2.gz GAWWWMZEQCTZRL-CQSZACIVSA-N -1 3 423.969 5.773 50 0 HKAAHM Cc1sc2[n-]c(CN[C@@H](C)c3ccccc3Cl)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012804671 558473014 /nfs/dbraw/zinc/47/30/14/558473014.db2.gz GAWWWMZEQCTZRL-AWEZNQCLSA-N -1 3 423.969 5.773 50 0 HKAAHM CSc1ccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000012812077 568985926 /nfs/dbraw/zinc/98/59/26/568985926.db2.gz BABSLUZLZIQUEH-ZDUSSCGKSA-N -1 3 411.552 5.160 50 0 HKAAHM CSc1ccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000012812087 568985899 /nfs/dbraw/zinc/98/58/99/568985899.db2.gz BABSLUZLZIQUEH-CYBMUJFWSA-N -1 3 411.552 5.160 50 0 HKAAHM C[C@@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1ccc2c(c1)CCCC2 ZINC000012819865 568991701 /nfs/dbraw/zinc/99/17/01/568991701.db2.gz ZLFWQQIZAJCNNA-MRXNPFEDSA-N -1 3 415.562 5.381 50 0 HKAAHM C[C@H](NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1ccc2c(c1)CCCC2 ZINC000012819871 568991853 /nfs/dbraw/zinc/99/18/53/568991853.db2.gz ZLFWQQIZAJCNNA-INIZCTEOSA-N -1 3 415.562 5.381 50 0 HKAAHM Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000012843127 560788612 /nfs/dbraw/zinc/78/86/12/560788612.db2.gz QXOCEEQZEPLQIP-UHFFFAOYSA-N -1 3 408.910 5.812 50 0 HKAAHM Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)cc(C)c3[O-])oc2cc1C ZINC000012856536 558480575 /nfs/dbraw/zinc/48/05/75/558480575.db2.gz AXMOWDVCAUUTIN-UHFFFAOYSA-N -1 3 416.433 5.107 50 0 HKAAHM COc1ccccc1C(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012856543 558480563 /nfs/dbraw/zinc/48/05/63/558480563.db2.gz HXSFORQVQRHYTA-UHFFFAOYSA-N -1 3 402.450 5.387 50 0 HKAAHM CN(Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1)Cc1ccccc1Cl ZINC000012866274 558481778 /nfs/dbraw/zinc/48/17/78/558481778.db2.gz BUTYFRARBGFVKA-UHFFFAOYSA-N -1 3 413.905 5.076 50 0 HKAAHM Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c(C)c1 ZINC000012866309 569012214 /nfs/dbraw/zinc/01/22/14/569012214.db2.gz JRMZKLXWVZCMEY-UHFFFAOYSA-N -1 3 407.514 5.040 50 0 HKAAHM Cc1cc(C(=O)[N-]c2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)on1 ZINC000012870025 569012428 /nfs/dbraw/zinc/01/24/28/569012428.db2.gz UUIGVUZRLSISNL-LLVKDONJSA-N -1 3 409.536 5.698 50 0 HKAAHM Cc1cc(C(=O)[N-]c2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)on1 ZINC000012870031 569012439 /nfs/dbraw/zinc/01/24/39/569012439.db2.gz UUIGVUZRLSISNL-NSHDSACASA-N -1 3 409.536 5.698 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1-c1cc(=O)oc2cc3c(cc21)CCC3)c1ccco1 ZINC000012893265 569404684 /nfs/dbraw/zinc/40/46/84/569404684.db2.gz OVCIOVNWAYMDSC-UHFFFAOYSA-N -1 3 411.413 5.540 50 0 biogenic HKAAHM Cc1ccc(COc2ccsc2-c2nnc(SC(=O)Cc3ccccc3)[n-]2)cc1 ZINC000012954771 569405275 /nfs/dbraw/zinc/40/52/75/569405275.db2.gz CHHLKMJQKCQDMH-UHFFFAOYSA-N -1 3 421.547 5.282 50 0 HKAAHM Cc1ccc(COc2ccsc2-c2n[n-]c(SC(=O)Cc3ccccc3)n2)cc1 ZINC000012954771 569405276 /nfs/dbraw/zinc/40/52/76/569405276.db2.gz CHHLKMJQKCQDMH-UHFFFAOYSA-N -1 3 421.547 5.282 50 0 HKAAHM Cc1ccc(COc2ccsc2-c2nc(SC(=O)Cc3ccccc3)n[n-]2)cc1 ZINC000012954771 569405277 /nfs/dbraw/zinc/40/52/77/569405277.db2.gz CHHLKMJQKCQDMH-UHFFFAOYSA-N -1 3 421.547 5.282 50 0 HKAAHM O=S(=O)([N-]c1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccccc1 ZINC000012960079 569405372 /nfs/dbraw/zinc/40/53/72/569405372.db2.gz ONCFGSWYCVTZIH-UHFFFAOYSA-N -1 3 408.306 5.373 50 0 HKAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000012978815 569042595 /nfs/dbraw/zinc/04/25/95/569042595.db2.gz WLMVOTMKOFTIQY-UHFFFAOYSA-N -1 3 412.824 5.022 50 0 HKAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000012978815 569042596 /nfs/dbraw/zinc/04/25/96/569042596.db2.gz WLMVOTMKOFTIQY-UHFFFAOYSA-N -1 3 412.824 5.022 50 0 HKAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000012978815 569042597 /nfs/dbraw/zinc/04/25/97/569042597.db2.gz WLMVOTMKOFTIQY-UHFFFAOYSA-N -1 3 412.824 5.022 50 0 HKAAHM Cc1sc2[n-]c(CN(C)[C@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992445 558497125 /nfs/dbraw/zinc/49/71/25/558497125.db2.gz OGWMKWIZNVETIA-MRXNPFEDSA-N -1 3 403.551 5.461 50 0 HKAAHM Cc1sc2[n-]c(CN(C)[C@@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992448 558497104 /nfs/dbraw/zinc/49/71/04/558497104.db2.gz OGWMKWIZNVETIA-INIZCTEOSA-N -1 3 403.551 5.461 50 0 HKAAHM C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000012997755 558499236 /nfs/dbraw/zinc/49/92/36/558499236.db2.gz YSICBWWJFYXXHP-CQSZACIVSA-N -1 3 409.942 5.498 50 0 HKAAHM C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000012997757 558499212 /nfs/dbraw/zinc/49/92/12/558499212.db2.gz YSICBWWJFYXXHP-AWEZNQCLSA-N -1 3 409.942 5.498 50 0 HKAAHM O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc([O-])c(CCCl)c1 ZINC000013007425 569406635 /nfs/dbraw/zinc/40/66/35/569406635.db2.gz BVERFNXXWQPKEM-SOFGYWHQSA-N -1 3 404.318 5.847 50 0 HKAAHM C[C@@H]1CCc2ccccc2N1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000013096355 569408885 /nfs/dbraw/zinc/40/88/85/569408885.db2.gz IYWBVQHBYYFRLK-CQSZACIVSA-N -1 3 421.953 5.646 50 0 HKAAHM C[C@H]1CCc2ccccc2N1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000013096356 569408902 /nfs/dbraw/zinc/40/89/02/569408902.db2.gz IYWBVQHBYYFRLK-AWEZNQCLSA-N -1 3 421.953 5.646 50 0 HKAAHM O=c1nc(CN2CCCc3ccccc32)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000013096710 569408970 /nfs/dbraw/zinc/40/89/70/569408970.db2.gz JMRCSCMLCXOVSC-UHFFFAOYSA-N -1 3 407.926 5.258 50 0 HKAAHM CCc1nnc([N-]C(=O)c2oc3ccccc3c2CSc2nc(C)cs2)s1 ZINC000013120627 558517028 /nfs/dbraw/zinc/51/70/28/558517028.db2.gz SLIWGFQUPOGOHH-UHFFFAOYSA-N -1 3 416.553 5.156 50 0 HKAAHM Cc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2[O-])cs1 ZINC000013121812 569409489 /nfs/dbraw/zinc/40/94/89/569409489.db2.gz TXZQYZDRVCPCSR-UHFFFAOYSA-N -1 3 417.412 5.401 50 0 HKAAHM COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3ccccc3[O-])c2cc1OC ZINC000013125008 558518285 /nfs/dbraw/zinc/51/82/85/558518285.db2.gz POEUIJCVSFDDFS-UHFFFAOYSA-N -1 3 411.461 5.272 50 0 HKAAHM O=c1cc([O-])nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1 ZINC000013128944 558519573 /nfs/dbraw/zinc/51/95/73/558519573.db2.gz FOTWUTYFDUUQIG-UHFFFAOYSA-N -1 3 413.713 5.191 50 0 HKAAHM CCSc1nnc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)s1 ZINC000013140989 569211502 /nfs/dbraw/zinc/21/15/02/569211502.db2.gz HHHXBKYQXFHYOK-UHFFFAOYSA-N -1 3 421.551 5.064 50 0 HKAAHM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(C)cc4C)c3)n2)cc1 ZINC000013359143 569411611 /nfs/dbraw/zinc/41/16/11/569411611.db2.gz ZKXKCIOEMJFQFS-UHFFFAOYSA-N -1 3 418.518 5.735 50 0 HKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1[N-]C(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000013466116 558533366 /nfs/dbraw/zinc/53/33/66/558533366.db2.gz NCSRAWJZCOAFRJ-MHZLTWQESA-N -1 3 424.309 5.646 50 0 HKAAHM O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2[O-])n1-c1ccccc1 ZINC000013512708 558535872 /nfs/dbraw/zinc/53/58/72/558535872.db2.gz BFXJWKRGONTYDL-ACCUITESSA-N -1 3 419.278 5.024 50 0 HKAAHM Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3ccccc3s2)c1[O-] ZINC000013519424 558536552 /nfs/dbraw/zinc/53/65/52/558536552.db2.gz TYQUVBHEIMIUML-UHFFFAOYSA-N -1 3 418.474 5.001 50 0 HKAAHM CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000013553145 558539807 /nfs/dbraw/zinc/53/98/07/558539807.db2.gz BYWBJRZLPVMPJX-FQEVSTJZSA-N -1 3 415.559 5.048 50 0 HKAAHM CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000013553146 558539881 /nfs/dbraw/zinc/53/98/81/558539881.db2.gz BYWBJRZLPVMPJX-HXUWFJFHSA-N -1 3 415.559 5.048 50 0 HKAAHM COc1ccc2oc(=O)c(-c3nnc([N-]c4ccc(Cl)cc4Cl)s3)cc2c1 ZINC000013633632 558553014 /nfs/dbraw/zinc/55/30/14/558553014.db2.gz NXYSDAZYNGRAQK-UHFFFAOYSA-N -1 3 420.277 5.371 50 0 HKAAHM Cc1onc(C(=O)[N-]c2ccc(F)cc2F)c1COc1cccc(C(F)(F)F)c1 ZINC000013640910 558555457 /nfs/dbraw/zinc/55/54/57/558555457.db2.gz SDBUUXMZFFEZGV-UHFFFAOYSA-N -1 3 412.314 5.111 50 0 HKAAHM Cc1onc(C(=O)[N-]c2cc(F)ccc2F)c1COc1cccc(C(F)(F)F)c1 ZINC000013640918 558555512 /nfs/dbraw/zinc/55/55/12/558555512.db2.gz FCCFPBLUNKPIJD-UHFFFAOYSA-N -1 3 412.314 5.111 50 0 HKAAHM O=C([N-]c1nnc(Cc2ccc(Cl)s2)o1)c1sc2ccccc2c1Cl ZINC000013653720 569256776 /nfs/dbraw/zinc/25/67/76/569256776.db2.gz PJENRMQIYVIVPQ-UHFFFAOYSA-N -1 3 410.307 5.496 50 0 HKAAHM O=C([N-]c1nnc(-c2ccc(Br)s2)o1)c1cc(Cl)ccc1Cl ZINC000013667195 569256886 /nfs/dbraw/zinc/25/68/86/569256886.db2.gz QSUMPNXBSGLEPG-UHFFFAOYSA-N -1 3 419.087 5.120 50 0 HKAAHM Cc1ccc(C(=O)NC([N-]c2cccc(Cl)c2C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013756499 558590432 /nfs/dbraw/zinc/59/04/32/558590432.db2.gz XUVQVKUQZRHRPX-UHFFFAOYSA-N -1 3 424.772 5.620 50 0 HKAAHM O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1[O-] ZINC000013756713 558590422 /nfs/dbraw/zinc/59/04/22/558590422.db2.gz LTUXZYFCRGBJPQ-OUKQBFOZSA-N -1 3 419.278 5.024 50 0 HKAAHM O=c1[n-]c(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2sc3c(c21)CCCC3 ZINC000013898152 558600796 /nfs/dbraw/zinc/60/07/96/558600796.db2.gz OUMOCIQETVDWBJ-UHFFFAOYSA-N -1 3 417.317 6.097 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 ZINC000013937875 558603867 /nfs/dbraw/zinc/60/38/67/558603867.db2.gz QVFWYKSUDLYTTA-UHFFFAOYSA-N -1 3 411.367 5.450 50 0 HKAAHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000013945520 558606950 /nfs/dbraw/zinc/60/69/50/558606950.db2.gz BODKUTXVQKEMLI-UHFFFAOYSA-N -1 3 415.276 5.512 50 0 HKAAHM O=C([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl ZINC000014008920 558612859 /nfs/dbraw/zinc/61/28/59/558612859.db2.gz AKHXKQXYNKUPJR-UHFFFAOYSA-N -1 3 414.701 5.330 50 0 HKAAHM Cc1cccc(N(Cc2ccccc2)C(=O)CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000014070513 558617504 /nfs/dbraw/zinc/61/75/04/558617504.db2.gz KDMZBUQRPWQUGO-UHFFFAOYSA-N -1 3 420.563 5.167 50 0 HKAAHM O=c1nc(CNC(c2ccccc2)c2ccccc2)[n-]c2scc(-c3ccccc3)c21 ZINC000014093077 558619199 /nfs/dbraw/zinc/61/91/99/558619199.db2.gz QGMFLRQGCSVCPL-UHFFFAOYSA-N -1 3 423.541 5.531 50 0 HKAAHM O=S(=O)([N-][C@@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014108451 558620402 /nfs/dbraw/zinc/62/04/02/558620402.db2.gz SNESHGUZIMIGJS-IBGZPJMESA-N -1 3 406.334 5.256 50 0 HKAAHM O=S(=O)([N-][C@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000014108454 558620635 /nfs/dbraw/zinc/62/06/35/558620635.db2.gz SNESHGUZIMIGJS-LJQANCHMSA-N -1 3 406.334 5.256 50 0 HKAAHM C[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc2c(c1)CCCC2 ZINC000014183599 558629409 /nfs/dbraw/zinc/62/94/09/558629409.db2.gz JSBKMORFMYPAGM-MRXNPFEDSA-N -1 3 415.562 5.381 50 0 HKAAHM C[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc2c(c1)CCCC2 ZINC000014183600 558629413 /nfs/dbraw/zinc/62/94/13/558629413.db2.gz JSBKMORFMYPAGM-INIZCTEOSA-N -1 3 415.562 5.381 50 0 HKAAHM Cc1ccc(-c2noc(CSc3nnc([N-]c4ccccc4F)s3)n2)cc1F ZINC000014241265 558643874 /nfs/dbraw/zinc/64/38/74/558643874.db2.gz LFBQNVHNMSIEPU-UHFFFAOYSA-N -1 3 417.466 5.211 50 0 HKAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000014256568 558651379 /nfs/dbraw/zinc/65/13/79/558651379.db2.gz ZDFNOELTPFMMEP-LLVKDONJSA-N -1 3 402.741 5.417 50 0 HKAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1 ZINC000014256569 558651326 /nfs/dbraw/zinc/65/13/26/558651326.db2.gz ZDFNOELTPFMMEP-NSHDSACASA-N -1 3 402.741 5.417 50 0 HKAAHM O=C([N-]c1nc2c(s1)CCCCC2)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014554250 569260376 /nfs/dbraw/zinc/26/03/76/569260376.db2.gz XLSXMXHGVOBKSN-UHFFFAOYSA-N -1 3 411.141 5.673 50 0 HKAAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(F)c(Cl)cc1Cl ZINC000014634631 569261146 /nfs/dbraw/zinc/26/11/46/569261146.db2.gz RYZQVSKPYLZBIT-UHFFFAOYSA-N -1 3 414.314 5.529 50 0 HKAAHM CCCCc1nnc([N-]C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 ZINC000014661130 569262468 /nfs/dbraw/zinc/26/24/68/569262468.db2.gz HXLVATBYWBNCKY-UHFFFAOYSA-N -1 3 409.540 5.047 50 0 HKAAHM O=C([N-]c1nc(-c2ccccn2)cs1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000014689103 560554256 /nfs/dbraw/zinc/55/42/56/560554256.db2.gz LXAHZXJLSGETFF-UHFFFAOYSA-N -1 3 420.108 5.466 50 0 HKAAHM C[C@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000014703313 558664318 /nfs/dbraw/zinc/66/43/18/558664318.db2.gz IHUVTSWHWVBBKE-CYBMUJFWSA-N -1 3 411.477 5.123 50 0 HKAAHM C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000014703314 558664270 /nfs/dbraw/zinc/66/42/70/558664270.db2.gz IHUVTSWHWVBBKE-ZDUSSCGKSA-N -1 3 411.477 5.123 50 0 HKAAHM Cc1ccc2nc([N-]C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2c1 ZINC000014739837 558666423 /nfs/dbraw/zinc/66/64/23/558666423.db2.gz FUJLGFKEQSWRMP-UHFFFAOYSA-N -1 3 407.109 5.866 50 0 HKAAHM CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000015009916 558699924 /nfs/dbraw/zinc/69/99/24/558699924.db2.gz RQZYFMLINJLWGX-DHDCSXOGSA-N -1 3 410.278 5.339 50 0 HKAAHM COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1[O-] ZINC000015016218 558702096 /nfs/dbraw/zinc/70/20/96/558702096.db2.gz UJASMGWZVGKARU-IERDGZPVSA-N -1 3 412.898 5.358 50 0 HKAAHM COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1[O-] ZINC000015016219 558702003 /nfs/dbraw/zinc/70/20/03/558702003.db2.gz UJASMGWZVGKARU-IIBYNOLFSA-N -1 3 412.898 5.358 50 0 HKAAHM COc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1[O-] ZINC000015017437 558702715 /nfs/dbraw/zinc/70/27/15/558702715.db2.gz NDSXYSQHMTVZDJ-GMVOTWDCSA-N -1 3 404.304 5.106 50 0 HKAAHM COc1cccc(NC(=O)[C@@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000015227774 568821016 /nfs/dbraw/zinc/82/10/16/568821016.db2.gz ANIUQWOUIMIKAE-SFHVURJKSA-N -1 3 422.535 5.014 50 0 HKAAHM COc1cccc(NC(=O)[C@H](Sc2n[n-]c(-c3cccs3)n2)c2ccccc2)c1 ZINC000015227776 568820968 /nfs/dbraw/zinc/82/09/68/568820968.db2.gz ANIUQWOUIMIKAE-GOSISDBHSA-N -1 3 422.535 5.014 50 0 HKAAHM Cc1c([O-])ccc2c(CN3CCc4sccc4[C@@H]3c3cccs3)cc(=O)oc12 ZINC000015548768 558743606 /nfs/dbraw/zinc/74/36/06/558743606.db2.gz HQCIOLMMCVAIEY-OAQYLSRUSA-N -1 3 409.532 5.078 50 0 HKAAHM Cc1c([O-])ccc2c(CN3CCc4sccc4[C@H]3c3cccs3)cc(=O)oc12 ZINC000015548769 558743505 /nfs/dbraw/zinc/74/35/05/558743505.db2.gz HQCIOLMMCVAIEY-NRFANRHFSA-N -1 3 409.532 5.078 50 0 HKAAHM CCOc1ccc2nc([N-]C(=O)c3noc4c3CSc3ccccc3-4)sc2c1 ZINC000015673997 568963089 /nfs/dbraw/zinc/96/30/89/568963089.db2.gz LMHXRIHUIRRCLX-UHFFFAOYSA-N -1 3 409.492 5.208 50 0 HKAAHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1ccccc1SCc1ccsc1 ZINC000015720253 568976405 /nfs/dbraw/zinc/97/64/05/568976405.db2.gz GUKWJZBOJNGRPW-UHFFFAOYSA-N -1 3 406.532 6.256 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])cc1 ZINC000015776888 568999502 /nfs/dbraw/zinc/99/95/02/568999502.db2.gz GCDXKGQJBPIUDP-UHFFFAOYSA-N -1 3 412.530 5.002 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776910 568999521 /nfs/dbraw/zinc/99/95/21/568999521.db2.gz XDMTZEIAUWDKJW-UHFFFAOYSA-N -1 3 424.516 5.068 50 0 HKAAHM COc1cccc(Cn2c(C)c(CN[C@@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)c1 ZINC000015777072 568999466 /nfs/dbraw/zinc/99/94/66/568999466.db2.gz CWTPDOPPMLOBMB-XMMPIXPASA-N -1 3 418.537 5.027 50 0 HKAAHM COc1cccc(Cn2c(C)c(CN[C@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)c1 ZINC000015777074 568999560 /nfs/dbraw/zinc/99/95/60/568999560.db2.gz CWTPDOPPMLOBMB-DEOSSOPVSA-N -1 3 418.537 5.027 50 0 HKAAHM COc1ccc(Cn2c(C)c(CN[C@@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)cc1 ZINC000015777154 568999603 /nfs/dbraw/zinc/99/96/03/568999603.db2.gz LQFHPAUUWDJIMD-XMMPIXPASA-N -1 3 418.537 5.027 50 0 HKAAHM COc1ccc(Cn2c(C)c(CN[C@H]3CCCc4ccccc43)c(C(=O)[O-])c2C)cc1 ZINC000015777156 568999590 /nfs/dbraw/zinc/99/95/90/568999590.db2.gz LQFHPAUUWDJIMD-DEOSSOPVSA-N -1 3 418.537 5.027 50 0 HKAAHM COc1ccc(Cl)cc1[N-]c1nnc(-c2cc3cc(Cl)ccc3oc2=O)s1 ZINC000015856796 558757140 /nfs/dbraw/zinc/75/71/40/558757140.db2.gz GOEMKPLCSLOPQX-UHFFFAOYSA-N -1 3 420.277 5.371 50 0 HKAAHM Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2C=C2SC(=O)[N-]C2=O)c1 ZINC000015857231 558757091 /nfs/dbraw/zinc/75/70/91/558757091.db2.gz XSAZEISTASMFHU-UNOMPAQXSA-N -1 3 417.914 5.129 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1[C@@H](c1cccc(F)c1)N1CCCCC1)c1ccco1 ZINC000015859323 569015065 /nfs/dbraw/zinc/01/50/65/569015065.db2.gz PXTAPPANCVALBX-HSZRJFAPSA-N -1 3 418.468 5.993 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCCCC1)c1ccco1 ZINC000015859324 569015102 /nfs/dbraw/zinc/01/51/02/569015102.db2.gz PXTAPPANCVALBX-QHCPKHFHSA-N -1 3 418.468 5.993 50 0 HKAAHM Cc1ccc([C@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859335 569015055 /nfs/dbraw/zinc/01/50/55/569015055.db2.gz FJCNIFRIKKNYDA-HSZRJFAPSA-N -1 3 416.477 5.008 50 0 HKAAHM Cc1ccc([C@@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)N2CCOCC2)cc1 ZINC000015859336 569015099 /nfs/dbraw/zinc/01/50/99/569015099.db2.gz FJCNIFRIKKNYDA-QHCPKHFHSA-N -1 3 416.477 5.008 50 0 HKAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nc(-c2ccc(Br)o2)ns1 ZINC000015859961 569015420 /nfs/dbraw/zinc/01/54/20/569015420.db2.gz DZMHDDLYLDPJMI-UHFFFAOYSA-N -1 3 418.272 5.176 50 0 HKAAHM Cc1c2cc(C)ccc2oc1C(=O)[N-]c1nc(-c2ccc(Br)o2)ns1 ZINC000015859965 558757606 /nfs/dbraw/zinc/75/76/06/558757606.db2.gz NRTQBYDXPRTKTO-UHFFFAOYSA-N -1 3 418.272 5.176 50 0 HKAAHM Cc1ccc(-c2nsc([N-]C(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)s1 ZINC000015860002 558757931 /nfs/dbraw/zinc/75/79/31/558757931.db2.gz XHSWAXNRNFOVDG-UHFFFAOYSA-N -1 3 403.916 5.844 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1C ZINC000015864043 569016368 /nfs/dbraw/zinc/01/63/68/569016368.db2.gz LBKKFWISFYDFIZ-UHFFFAOYSA-N -1 3 408.498 5.700 50 0 HKAAHM Cc1ccc2[nH]c(CCc3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)cc3)nc2c1 ZINC000015870699 569017410 /nfs/dbraw/zinc/01/74/10/569017410.db2.gz SLUYKBQEKYMKLF-UHFFFAOYSA-N -1 3 419.550 5.074 50 0 HKAAHM Cc1ccc2nc(CCc3ccc([N-]S(=O)(=O)c4ccc(C)cc4C)cc3)[nH]c2c1 ZINC000015870699 569017411 /nfs/dbraw/zinc/01/74/11/569017411.db2.gz SLUYKBQEKYMKLF-UHFFFAOYSA-N -1 3 419.550 5.074 50 0 HKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000015870707 569017442 /nfs/dbraw/zinc/01/74/42/569017442.db2.gz MJZIQKUMEBUKMI-UHFFFAOYSA-N -1 3 419.550 5.020 50 0 HKAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000015870707 569017443 /nfs/dbraw/zinc/01/74/43/569017443.db2.gz MJZIQKUMEBUKMI-UHFFFAOYSA-N -1 3 419.550 5.020 50 0 HKAAHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CCc2nc3cc(C)ccc3[nH]2)cc1 ZINC000015870721 569017452 /nfs/dbraw/zinc/01/74/52/569017452.db2.gz AZXKRYBYYMXGCF-UHFFFAOYSA-N -1 3 419.550 5.020 50 0 HKAAHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000015870721 569017453 /nfs/dbraw/zinc/01/74/53/569017453.db2.gz AZXKRYBYYMXGCF-UHFFFAOYSA-N -1 3 419.550 5.020 50 0 HKAAHM CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(Cl)ccc4[O-])cc3)c2O1 ZINC000015881179 569018316 /nfs/dbraw/zinc/01/83/16/569018316.db2.gz FGAMEWVVLLPQKH-UHFFFAOYSA-N -1 3 423.896 5.590 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccccc2O)[nH]n1 ZINC000015974293 558764932 /nfs/dbraw/zinc/76/49/32/558764932.db2.gz CURFPPYRXGETPW-UHFFFAOYSA-N -1 3 423.428 5.012 50 0 HKAAHM O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)s1 ZINC000016047597 569028428 /nfs/dbraw/zinc/02/84/28/569028428.db2.gz CZAPYEDKGXTBHG-UHFFFAOYSA-N -1 3 419.087 5.120 50 0 HKAAHM COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Br)c1[O-] ZINC000016195013 569029783 /nfs/dbraw/zinc/02/97/83/569029783.db2.gz MOTWTBMTLZEQBA-UHFFFAOYSA-N -1 3 421.294 5.887 50 0 HKAAHM Cc1ccccc1OCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000016363018 558788089 /nfs/dbraw/zinc/78/80/89/558788089.db2.gz DTOZVEBHSOYULS-UHFFFAOYSA-N -1 3 404.491 5.303 50 0 HKAAHM O=C([O-])c1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000016399627 558789747 /nfs/dbraw/zinc/78/97/47/558789747.db2.gz XZIQUMGHKWQCJG-UHFFFAOYSA-N -1 3 416.304 5.560 50 0 HKAAHM COc1ccc(-c2ccccc2)cc1NCc1cc(Br)c([O-])c(OC)c1 ZINC000016663179 558798313 /nfs/dbraw/zinc/79/83/13/558798313.db2.gz JGPMCVAUSYKTKU-UHFFFAOYSA-N -1 3 414.299 5.451 50 0 HKAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000016878993 558808728 /nfs/dbraw/zinc/80/87/28/558808728.db2.gz ZALJICXKNFTRQH-MRXNPFEDSA-N -1 3 416.622 5.397 50 0 HKAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000016878994 558808721 /nfs/dbraw/zinc/80/87/21/558808721.db2.gz ZALJICXKNFTRQH-INIZCTEOSA-N -1 3 416.622 5.397 50 0 HKAAHM O=c1[n-]c(CSCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017057712 558813421 /nfs/dbraw/zinc/81/34/21/558813421.db2.gz RPBHSHBPLYXRCF-UHFFFAOYSA-N -1 3 402.563 5.628 50 0 HKAAHM O=S(=O)([N-]C1CCCCCCCCCCC1)c1ccc(Br)s1 ZINC000017087890 558816764 /nfs/dbraw/zinc/81/67/64/558816764.db2.gz JXTLWJSWEDOQDS-UHFFFAOYSA-N -1 3 408.427 5.462 50 0 HKAAHM COC(=O)c1c(NC(=S)Nc2ccc(C)cc2[O-])sc(C)c1-c1ccccc1 ZINC000017089298 558817995 /nfs/dbraw/zinc/81/79/95/558817995.db2.gz WVZLWLBMXLIAKO-UHFFFAOYSA-N -1 3 412.536 5.333 50 0 HKAAHM COc1ccc(-c2nnc([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)o2)cc1 ZINC000017092089 523255396 /nfs/dbraw/zinc/25/53/96/523255396.db2.gz CWVLVYRRCHRTKO-UHFFFAOYSA-N -1 3 420.277 5.519 50 0 HKAAHM Cc1sc2[nH]c(=S)n(-c3cc(C(C)(C)C)ccc3[O-])c(=O)c2c1-c1ccccc1 ZINC000017093250 558821704 /nfs/dbraw/zinc/82/17/04/558821704.db2.gz RIGRLCRDVNITMI-UHFFFAOYSA-N -1 3 422.575 5.714 50 0 HKAAHM CC(C)(C)Sc1nnc(SC(C)(C)C)c2c(=O)[n-]nc(SC(C)(C)C)c12 ZINC000017191385 558825198 /nfs/dbraw/zinc/82/51/98/558825198.db2.gz DVZVUHCEXHTZEB-UHFFFAOYSA-N -1 3 412.650 5.797 50 0 HKAAHM Cc1ccc2nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017194985 558825424 /nfs/dbraw/zinc/82/54/24/558825424.db2.gz LEMZNLUAYNDWPA-UHFFFAOYSA-N -1 3 423.929 5.019 50 0 HKAAHM O=c1[n-]c(SCc2cccc3ccccc32)nc2c1cnn2-c1ccc(Cl)cc1 ZINC000017201166 560704522 /nfs/dbraw/zinc/70/45/22/560704522.db2.gz LMXZCAASSVEQEN-UHFFFAOYSA-N -1 3 418.909 5.620 50 0 HKAAHM Cc1nc2c3ccccc3oc2c(Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)n1 ZINC000017246917 560704838 /nfs/dbraw/zinc/70/48/38/560704838.db2.gz FHTGGSJXPWAVTR-UHFFFAOYSA-N -1 3 424.485 6.410 50 0 HKAAHM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355825 569291855 /nfs/dbraw/zinc/29/18/55/569291855.db2.gz AQDIYFKCVQCPHN-NXTQRVMMSA-N -1 3 424.614 5.027 50 0 HKAAHM Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1 ZINC000017885578 558828428 /nfs/dbraw/zinc/82/84/28/558828428.db2.gz LDWDFXXBUGPHRO-UHFFFAOYSA-N -1 3 404.084 5.045 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2[O-])cc1OC ZINC000018085619 560774967 /nfs/dbraw/zinc/77/49/67/560774967.db2.gz PCIDUQSBVJULLO-UHFFFAOYSA-N -1 3 402.450 5.046 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1OC ZINC000018128615 560779420 /nfs/dbraw/zinc/77/94/20/560779420.db2.gz SSMQZZBSIFHOKN-UHFFFAOYSA-N -1 3 420.440 5.185 50 0 HKAAHM O=c1[n-]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2sc3c(c21)CCCC3 ZINC000018137083 560779619 /nfs/dbraw/zinc/77/96/19/560779619.db2.gz DWJQESUXZXBDDR-UHFFFAOYSA-N -1 3 417.317 6.097 50 0 HKAAHM O=c1[n-]c(CN2CCCC3(CCCCC3)C2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000018143529 558832090 /nfs/dbraw/zinc/83/20/90/558832090.db2.gz BIQCIZDAGMICNL-UHFFFAOYSA-N -1 3 417.597 5.351 50 0 HKAAHM CCCCN(CCCC)Cc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018207302 558833444 /nfs/dbraw/zinc/83/34/44/558833444.db2.gz NNSHJJMCCZEKNN-UHFFFAOYSA-N -1 3 407.602 5.597 50 0 HKAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1OC ZINC000018251473 560785516 /nfs/dbraw/zinc/78/55/16/560785516.db2.gz XOHAQDFCNKFVHL-UHFFFAOYSA-N -1 3 420.440 5.185 50 0 HKAAHM Cc1cccc2c(C)nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[n-]3)nc12 ZINC000018266480 558835082 /nfs/dbraw/zinc/83/50/82/558835082.db2.gz PJUVXIYUNQSANS-UHFFFAOYSA-N -1 3 423.929 5.019 50 0 HKAAHM Cc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)[O-])ccc2n1 ZINC000019795567 569430238 /nfs/dbraw/zinc/43/02/38/569430238.db2.gz YUOYHSLJECLGJJ-UHFFFAOYSA-N -1 3 418.880 6.217 50 0 HKAAHM O=C([N-]c1cc(C(F)(F)F)cc2nsnc21)c1sc2ccccc2c1Cl ZINC000020032137 568586533 /nfs/dbraw/zinc/58/65/33/568586533.db2.gz KVNHMMNADASSQF-UHFFFAOYSA-N -1 3 413.833 5.831 50 0 HKAAHM O=C([N-]c1c(F)cc(F)cc1Br)c1cc(-c2ccc(Cl)cc2)on1 ZINC000020137407 558337683 /nfs/dbraw/zinc/33/76/83/558337683.db2.gz RICKRIQWIAFJFG-UHFFFAOYSA-N -1 3 413.605 5.288 50 0 HKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3sccn32)cc1C ZINC000020138853 568590288 /nfs/dbraw/zinc/59/02/88/568590288.db2.gz DNJIYTGDXFKBKT-UHFFFAOYSA-N -1 3 414.328 5.891 50 0 HKAAHM Cc1cccc(Nc2c(-c3cc(Br)ccc3[O-])nc3nc(C)cc(C)n32)c1 ZINC000020182008 568593051 /nfs/dbraw/zinc/59/30/51/568593051.db2.gz CVLXNVSINZRTRP-UHFFFAOYSA-N -1 3 423.314 5.533 50 0 HKAAHM [O-]c1ccc(Br)cc1-c1nc2ncccn2c1Nc1ccc(Cl)cc1 ZINC000020182017 518203664 /nfs/dbraw/zinc/20/36/64/518203664.db2.gz VSJBNCMYZBITRG-UHFFFAOYSA-N -1 3 415.678 5.261 50 0 HKAAHM Cc1c(C(=O)[O-])cccc1-c1ccc(CNCCc2ccc(Cl)cc2Cl)o1 ZINC000020295577 558354509 /nfs/dbraw/zinc/35/45/09/558354509.db2.gz SECJOVSIWPTAAH-UHFFFAOYSA-N -1 3 404.293 5.592 50 0 HKAAHM [O-]c1c2nc3sc4c(c3c-2[nH]c(=S)n1-c1ccc(F)c(Cl)c1)CCCC4 ZINC000020386116 568603350 /nfs/dbraw/zinc/60/33/50/568603350.db2.gz KZCORDCOYGDQPJ-UHFFFAOYSA-N -1 3 405.907 5.262 50 0 HKAAHM Cc1ccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4cc(C)c(C)cc4C)c3)nc2c1 ZINC000020463694 568609941 /nfs/dbraw/zinc/60/99/41/568609941.db2.gz YMLKXHWLVRDGSU-UHFFFAOYSA-N -1 3 419.550 5.344 50 0 HKAAHM Cc1cccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)c(C)c4)c3)nc12 ZINC000020463701 568609998 /nfs/dbraw/zinc/60/99/98/568609998.db2.gz ACDIXVWWBNJWHR-UHFFFAOYSA-N -1 3 405.523 5.036 50 0 HKAAHM Cc1ccc2c(c1)-c1onc(C(=O)[N-]c3cc(-c4cccc(Cl)c4)no3)c1CO2 ZINC000020510054 568621066 /nfs/dbraw/zinc/62/10/66/568621066.db2.gz QRHOMSWMNZONEQ-UHFFFAOYSA-N -1 3 407.813 5.103 50 0 HKAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020573159 522430960 /nfs/dbraw/zinc/43/09/60/522430960.db2.gz HTFVZBKPQHAPMW-MRXNPFEDSA-N -1 3 415.942 6.447 50 0 HKAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cc2)cc1 ZINC000020573161 522041366 /nfs/dbraw/zinc/04/13/66/522041366.db2.gz HTFVZBKPQHAPMW-INIZCTEOSA-N -1 3 415.942 6.447 50 0 HKAAHM CC1CCC(NC(=O)Cc2ccc(Nc3[n-]c(=S)nc4ccccc43)cc2)CC1 ZINC000020646192 568639251 /nfs/dbraw/zinc/63/92/51/568639251.db2.gz HPNPODRMBVGHTL-UHFFFAOYSA-N -1 3 406.555 5.273 50 0 HKAAHM CN(Cc1ccc(Cl)cc1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000020686691 558400695 /nfs/dbraw/zinc/40/06/95/558400695.db2.gz MUFIVWCCXBIDOZ-UHFFFAOYSA-N -1 3 413.905 5.076 50 0 HKAAHM Cc1cccc2sc([N-]C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)nc21 ZINC000020915466 568460534 /nfs/dbraw/zinc/46/05/34/568460534.db2.gz MWZNUJWCTXAIKB-UHFFFAOYSA-N -1 3 407.109 5.866 50 0 HKAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Cl)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990070 568655701 /nfs/dbraw/zinc/65/57/01/568655701.db2.gz BGYIPKCJAXUHPM-UHFFFAOYSA-N -1 3 416.930 5.086 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1 ZINC000021024296 568658543 /nfs/dbraw/zinc/65/85/43/568658543.db2.gz ZLTMLQVJHBOXPK-UHFFFAOYSA-N -1 3 408.567 5.172 50 0 HKAAHM CSc1ccc(CNCc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024310 568658584 /nfs/dbraw/zinc/65/85/84/568658584.db2.gz ANFCYJGMBRTNBJ-UHFFFAOYSA-N -1 3 408.567 5.172 50 0 HKAAHM Cc1c(CN[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024330 568658537 /nfs/dbraw/zinc/65/85/37/568658537.db2.gz MTPXSTUWJKDBQA-HSZRJFAPSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CN[C@H]2CCCc3ccccc32)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024338 568658468 /nfs/dbraw/zinc/65/84/68/568658468.db2.gz MTPXSTUWJKDBQA-QHCPKHFHSA-N -1 3 406.501 5.158 50 0 HKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000021024399 568658485 /nfs/dbraw/zinc/65/84/85/568658485.db2.gz XJMIZIDCYOZFBE-UHFFFAOYSA-N -1 3 417.336 5.448 50 0 HKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000021024442 568658550 /nfs/dbraw/zinc/65/85/50/568658550.db2.gz VAJWLYDHUPCSBJ-UHFFFAOYSA-N -1 3 417.336 5.448 50 0 HKAAHM CCOc1ccc(CNCc2c(C)n(Cc3cc(C)ccc3C)c(C)c2C(=O)[O-])cc1 ZINC000021024473 568658663 /nfs/dbraw/zinc/65/86/63/568658663.db2.gz PZKVMGKEVMIZGJ-UHFFFAOYSA-N -1 3 420.553 5.157 50 0 HKAAHM Cc1c(CNCc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024526 568658635 /nfs/dbraw/zinc/65/86/35/568658635.db2.gz XWUBDZZXHOSNQO-UHFFFAOYSA-N -1 3 417.336 5.448 50 0 HKAAHM Cc1c(CNCc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024891 568658651 /nfs/dbraw/zinc/65/86/51/568658651.db2.gz CZZAZWPVUXZUEP-UHFFFAOYSA-N -1 3 403.309 5.389 50 0 HKAAHM Cc1c(CNCc2ccc(OC(C)C)cc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025562 568658834 /nfs/dbraw/zinc/65/88/34/568658834.db2.gz ADJPMKUVFABEAL-UHFFFAOYSA-N -1 3 406.526 5.178 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c(Cl)c1 ZINC000021034090 568659637 /nfs/dbraw/zinc/65/96/37/568659637.db2.gz CTZOAIRBGAAFKP-UHFFFAOYSA-N -1 3 402.903 5.290 50 0 HKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCCC2 ZINC000021149542 558432357 /nfs/dbraw/zinc/43/23/57/558432357.db2.gz RXLWVIDYOVTJLJ-UHFFFAOYSA-N -1 3 410.495 5.019 50 0 HKAAHM C[C@@H]1CCc2nc([N-]C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 ZINC000021799165 568468334 /nfs/dbraw/zinc/46/83/34/568468334.db2.gz MLMDBEYQQYYXKD-RXMQYKEDSA-N -1 3 411.141 5.529 50 0 HKAAHM C[C@H]1CCc2nc([N-]C(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 ZINC000021799169 568468297 /nfs/dbraw/zinc/46/82/97/568468297.db2.gz MLMDBEYQQYYXKD-YFKPBYRVSA-N -1 3 411.141 5.529 50 0 HKAAHM CCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1Cl ZINC000022135470 558464432 /nfs/dbraw/zinc/46/44/32/558464432.db2.gz BQRVXCUHNKNOEL-UHFFFAOYSA-N -1 3 424.909 5.973 50 0 HKAAHM Cc1cc(-c2cc(C(=O)Nc3ccccc3[O-])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000022319724 558477875 /nfs/dbraw/zinc/47/78/75/558477875.db2.gz MPJOPQCMRRNHPY-UHFFFAOYSA-N -1 3 406.511 5.315 50 0 HKAAHM COCc1noc([N-]C(=O)CSCc2ccc(Cl)cc2)c1-c1ccccc1F ZINC000023319919 559125773 /nfs/dbraw/zinc/12/57/73/559125773.db2.gz IXKSWPZLLMGAQG-UHFFFAOYSA-N -1 3 420.893 5.152 50 0 HKAAHM CCOc1cccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)c1[O-] ZINC000023461096 559175706 /nfs/dbraw/zinc/17/57/06/559175706.db2.gz ZJVSLCIGDOJWSH-UHFFFAOYSA-N -1 3 421.449 5.292 50 0 HKAAHM C[C@@H](Sc1nc2ccccc2o1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023551868 558562027 /nfs/dbraw/zinc/56/20/27/558562027.db2.gz HRHLXTKSUBEORU-GFCCVEGCSA-N -1 3 405.504 5.646 50 0 HKAAHM C[C@H](Sc1nc2ccccc2o1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023551871 558562004 /nfs/dbraw/zinc/56/20/04/558562004.db2.gz HRHLXTKSUBEORU-LBPRGKRZSA-N -1 3 405.504 5.646 50 0 HKAAHM Cc1sc2[n-]c(CN(C)Cc3cccc(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023816599 526891250 /nfs/dbraw/zinc/89/12/50/526891250.db2.gz QXQXYLVQJBDYMF-UHFFFAOYSA-N -1 3 407.514 5.040 50 0 HKAAHM Cc1sc2[n-]c(CN(C)Cc3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023818640 558577054 /nfs/dbraw/zinc/57/70/54/558577054.db2.gz TXBMOLFCCSEYLJ-UHFFFAOYSA-N -1 3 403.551 5.209 50 0 HKAAHM CC(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(F)cc1 ZINC000023908058 558580960 /nfs/dbraw/zinc/58/09/60/558580960.db2.gz UZFJEHGXBGSTCG-OAQYLSRUSA-N -1 3 407.514 5.278 50 0 HKAAHM CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(F)cc1 ZINC000023908061 558580826 /nfs/dbraw/zinc/58/08/26/558580826.db2.gz UZFJEHGXBGSTCG-NRFANRHFSA-N -1 3 407.514 5.278 50 0 HKAAHM O=c1nc(CN2CCc3sccc3[C@@H]2C2CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000023955955 558582418 /nfs/dbraw/zinc/58/24/18/558582418.db2.gz FPUSUTWZNNIZMY-NRFANRHFSA-N -1 3 419.575 5.223 50 0 HKAAHM O=c1nc(CN2CCc3sccc3[C@H]2C2CC2)[n-]c2sc(-c3ccccc3)cc21 ZINC000023955957 558582358 /nfs/dbraw/zinc/58/23/58/558582358.db2.gz FPUSUTWZNNIZMY-OAQYLSRUSA-N -1 3 419.575 5.223 50 0 HKAAHM Cc1sc2[n-]c(CN3CCc4sccc4[C@@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023956245 558582452 /nfs/dbraw/zinc/58/24/52/558582452.db2.gz DEEPDJUQCGWTKK-AWEZNQCLSA-N -1 3 421.591 5.449 50 0 HKAAHM Cc1sc2[n-]c(CN3CCc4sccc4[C@H]3C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023956247 558582375 /nfs/dbraw/zinc/58/23/75/558582375.db2.gz DEEPDJUQCGWTKK-CQSZACIVSA-N -1 3 421.591 5.449 50 0 HKAAHM COC(=O)c1ccc2c(=O)[n-]c(C(Cl)=Cc3ccc(-c4ccccc4F)o3)nc2c1 ZINC000024069833 559189584 /nfs/dbraw/zinc/18/95/84/559189584.db2.gz QLJXPNQBIBYPMJ-WJDWOHSUSA-N -1 3 424.815 5.258 50 0 HKAAHM CC(C)[C@@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)cc1 ZINC000024258801 558593365 /nfs/dbraw/zinc/59/33/65/558593365.db2.gz PSSYEKJRBYZYSY-OAQYLSRUSA-N -1 3 423.969 5.792 50 0 HKAAHM CC(C)[C@H](NCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)c1ccc(Cl)cc1 ZINC000024258805 558593266 /nfs/dbraw/zinc/59/32/66/558593266.db2.gz PSSYEKJRBYZYSY-NRFANRHFSA-N -1 3 423.969 5.792 50 0 HKAAHM Cc1sc2[n-]c(CN[C@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984794 568710437 /nfs/dbraw/zinc/71/04/37/568710437.db2.gz PIPBAVNWUPNGRH-CQSZACIVSA-N -1 3 423.969 5.773 50 0 HKAAHM Cc1sc2[n-]c(CN[C@@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984798 568710241 /nfs/dbraw/zinc/71/02/41/568710241.db2.gz PIPBAVNWUPNGRH-AWEZNQCLSA-N -1 3 423.969 5.773 50 0 HKAAHM O=c1nc(CSc2ccc3c(c2)OCCCO3)[n-]c2sc(-c3ccccc3)cc21 ZINC000025052891 558628978 /nfs/dbraw/zinc/62/89/78/558628978.db2.gz FFRBCILEKDJEJS-UHFFFAOYSA-N -1 3 422.531 5.105 50 0 HKAAHM Cc1ccccc1[C@@H](C)NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000025057706 558629223 /nfs/dbraw/zinc/62/92/23/558629223.db2.gz GENUMHBKIZYDJY-CQSZACIVSA-N -1 3 409.942 5.464 50 0 HKAAHM Cc1ccccc1[C@H](C)NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000025057712 558629303 /nfs/dbraw/zinc/62/93/03/558629303.db2.gz GENUMHBKIZYDJY-AWEZNQCLSA-N -1 3 409.942 5.464 50 0 HKAAHM O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1c([O-])ccc2ccccc21 ZINC000025356179 527093293 /nfs/dbraw/zinc/09/32/93/527093293.db2.gz WYEDJDVBDCNDAY-KQWNVCNZSA-N -1 3 407.425 5.682 50 0 HKAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000027373955 558672690 /nfs/dbraw/zinc/67/26/90/558672690.db2.gz RYQMTNHKGKRQDW-UHFFFAOYSA-N -1 3 400.931 5.111 50 0 HKAAHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(-c2ccccc2)cc1 ZINC000027521712 569328065 /nfs/dbraw/zinc/32/80/65/569328065.db2.gz QRXLFXCNWYTRNQ-UHFFFAOYSA-N -1 3 422.509 6.588 50 0 HKAAHM CCOc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(OCC)cc4s3)no2)cc1 ZINC000027579945 558675469 /nfs/dbraw/zinc/67/54/69/558675469.db2.gz XICFDIXAINEUQC-UHFFFAOYSA-N -1 3 409.467 5.001 50 0 HKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)cc(C)c3c2C)cc1 ZINC000027580519 558675797 /nfs/dbraw/zinc/67/57/97/558675797.db2.gz RGEZWGJOCWWPSX-UHFFFAOYSA-N -1 3 405.454 5.449 50 0 HKAAHM Cc1c(C(=O)[N-]c2nonc2-c2ccc(OC(C)C)cc2)oc2cc(C)cc(C)c12 ZINC000027580536 558675669 /nfs/dbraw/zinc/67/56/69/558675669.db2.gz BJHLUPXEJXUBFZ-UHFFFAOYSA-N -1 3 405.454 5.448 50 0 HKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCCC2 ZINC000027582611 558675970 /nfs/dbraw/zinc/67/59/70/558675970.db2.gz BSBGBBXOCVFJGV-UHFFFAOYSA-N -1 3 424.522 5.328 50 0 HKAAHM CCCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000027583218 558676170 /nfs/dbraw/zinc/67/61/70/558676170.db2.gz SHPXSUCFUBOVHF-UHFFFAOYSA-N -1 3 409.417 5.362 50 0 HKAAHM CCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027663236 558678583 /nfs/dbraw/zinc/67/85/83/558678583.db2.gz BCTNHYPPFGQSQC-UHFFFAOYSA-N -1 3 405.454 5.449 50 0 HKAAHM CCCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3c(ccc(C)c3C)c2C)cc1 ZINC000027663238 558678558 /nfs/dbraw/zinc/67/85/58/558678558.db2.gz RVZAQXCOTXGQJE-UHFFFAOYSA-N -1 3 419.481 5.839 50 0 HKAAHM Cc1c2ccc(C)c(C)c2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000027663245 558678777 /nfs/dbraw/zinc/67/87/77/558678777.db2.gz UBPSIZFZELZPPP-UHFFFAOYSA-N -1 3 405.454 5.448 50 0 HKAAHM CCCOc1c(Cl)cc(C(=O)[N-]c2nonc2-c2ccc(OC)cc2)cc1Cl ZINC000027663392 558678840 /nfs/dbraw/zinc/67/88/40/558678840.db2.gz CTDISEGQXUWAKU-UHFFFAOYSA-N -1 3 422.268 5.093 50 0 HKAAHM O=C([N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000027664493 558679634 /nfs/dbraw/zinc/67/96/34/558679634.db2.gz DVVTXKMZQWIJBV-UHFFFAOYSA-N -1 3 414.339 5.549 50 0 HKAAHM CC(C)c1ccc(OCC(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027743970 558681030 /nfs/dbraw/zinc/68/10/30/558681030.db2.gz OSMXXFRMCJGJAB-UHFFFAOYSA-N -1 3 415.287 5.245 50 0 HKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Cl)cc3c2C)cc1C ZINC000027746779 558681319 /nfs/dbraw/zinc/68/13/19/558681319.db2.gz DVNYDCWUZJOMPG-UHFFFAOYSA-N -1 3 411.845 5.404 50 0 HKAAHM Cc1ccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1C ZINC000027747175 558681437 /nfs/dbraw/zinc/68/14/37/558681437.db2.gz PILOYRKLDVNNHC-CQSZACIVSA-N -1 3 415.287 5.127 50 0 HKAAHM Cc1ccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1C ZINC000027747182 558681417 /nfs/dbraw/zinc/68/14/17/558681417.db2.gz PILOYRKLDVNNHC-AWEZNQCLSA-N -1 3 415.287 5.127 50 0 HKAAHM Cc1cc(C)cc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)c1 ZINC000027747272 558681408 /nfs/dbraw/zinc/68/14/08/558681408.db2.gz HMBJLFJVJIOCJV-CQSZACIVSA-N -1 3 415.287 5.127 50 0 HKAAHM Cc1cc(C)cc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)c1 ZINC000027747282 558681523 /nfs/dbraw/zinc/68/15/23/558681523.db2.gz HMBJLFJVJIOCJV-AWEZNQCLSA-N -1 3 415.287 5.127 50 0 HKAAHM C[C@@H]1Cc2cc(-c3cc(C(=O)[N-]c4nc5ccc(Cl)cc5s4)no3)ccc2O1 ZINC000027792863 558682479 /nfs/dbraw/zinc/68/24/79/558682479.db2.gz CMYDBUBFVSJOAV-SNVBAGLBSA-N -1 3 411.870 5.180 50 0 HKAAHM C[C@H]1Cc2cc(-c3cc(C(=O)[N-]c4nc5ccc(Cl)cc5s4)no3)ccc2O1 ZINC000027792866 558682486 /nfs/dbraw/zinc/68/24/86/558682486.db2.gz CMYDBUBFVSJOAV-JTQLQIEISA-N -1 3 411.870 5.180 50 0 HKAAHM CCc1ccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027793584 558682705 /nfs/dbraw/zinc/68/27/05/558682705.db2.gz MFVWHRNUKFHUJA-ZDUSSCGKSA-N -1 3 415.287 5.073 50 0 HKAAHM CCc1ccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)cc1 ZINC000027793587 558682672 /nfs/dbraw/zinc/68/26/72/558682672.db2.gz MFVWHRNUKFHUJA-CYBMUJFWSA-N -1 3 415.287 5.073 50 0 HKAAHM CC[C@@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(Br)cc2)no1 ZINC000027794252 558682802 /nfs/dbraw/zinc/68/28/02/558682802.db2.gz JVEIDPUWRQTCQG-MRXNPFEDSA-N -1 3 419.250 5.039 50 0 HKAAHM CC[C@H](Oc1ccccc1F)C(=O)[N-]c1cc(-c2ccc(Br)cc2)no1 ZINC000027794255 558682806 /nfs/dbraw/zinc/68/28/06/558682806.db2.gz JVEIDPUWRQTCQG-INIZCTEOSA-N -1 3 419.250 5.039 50 0 HKAAHM Cc1cccc(O[C@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)c1C ZINC000027794257 558682873 /nfs/dbraw/zinc/68/28/73/558682873.db2.gz ZVPCWFZLRLFQKR-CQSZACIVSA-N -1 3 415.287 5.127 50 0 HKAAHM Cc1cccc(O[C@@H](C)C(=O)[N-]c2cc(-c3ccc(Br)cc3)no2)c1C ZINC000027794260 558682852 /nfs/dbraw/zinc/68/28/52/558682852.db2.gz ZVPCWFZLRLFQKR-AWEZNQCLSA-N -1 3 415.287 5.127 50 0 HKAAHM Cc1c2ccc(C)cc2oc1C(=O)[N-]c1nonc1-c1ccc(Br)cc1 ZINC000027989996 558688126 /nfs/dbraw/zinc/68/81/26/558688126.db2.gz DQAJWBPNHJIKLY-UHFFFAOYSA-N -1 3 412.243 5.114 50 0 HKAAHM CCCCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)ccc3c2C)cc1 ZINC000027990132 558688166 /nfs/dbraw/zinc/68/81/66/558688166.db2.gz IWHICUNRTQYAKD-UHFFFAOYSA-N -1 3 405.454 5.531 50 0 HKAAHM Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nonc1-c1ccc(OCC(C)C)cc1 ZINC000027990150 558688112 /nfs/dbraw/zinc/68/81/12/558688112.db2.gz RDVBXMQIMMZYQP-UHFFFAOYSA-N -1 3 409.417 5.217 50 0 HKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(COc2ccccc2Br)o1 ZINC000028229282 568783094 /nfs/dbraw/zinc/78/30/94/568783094.db2.gz CLAFJKUXLYGRIB-UHFFFAOYSA-N -1 3 422.662 5.232 50 0 HKAAHM Cc1c2cc(C)c(C)cc2oc1C(=O)[N-]c1nonc1-c1ccc(OC(C)C)cc1 ZINC000028286914 558694386 /nfs/dbraw/zinc/69/43/86/558694386.db2.gz OZSSYMYAVAXBHV-UHFFFAOYSA-N -1 3 405.454 5.448 50 0 HKAAHM CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3cc(C)cc(C)c3c2C)cc1C ZINC000028286939 558694374 /nfs/dbraw/zinc/69/43/74/558694374.db2.gz RLEGGCGWPIBDCX-UHFFFAOYSA-N -1 3 405.454 5.367 50 0 HKAAHM Cc1ccc(NC(=S)C(C(=S)Nc2ccc(C)cc2)=C([O-])c2ccccc2)cc1 ZINC000028294132 568784074 /nfs/dbraw/zinc/78/40/74/568784074.db2.gz YFHHGAKYLJDCEB-UHFFFAOYSA-N -1 3 418.587 5.981 50 0 HKAAHM O=C([O-])c1ccc(CNCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000028428218 558700738 /nfs/dbraw/zinc/70/07/38/558700738.db2.gz WVVBORVCKZXHIO-UHFFFAOYSA-N -1 3 416.304 5.560 50 0 HKAAHM CCc1cc(-c2n[nH]c(C)c2-c2csc(C)n2)c([O-])cc1OCc1ccc(F)cc1 ZINC000028462508 568785118 /nfs/dbraw/zinc/78/51/18/568785118.db2.gz HXDDBUQLFFPMPP-UHFFFAOYSA-N -1 3 423.513 5.803 50 0 HKAAHM Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3[O-])c2c1C ZINC000028689741 558703644 /nfs/dbraw/zinc/70/36/44/558703644.db2.gz NDNCJLZRYGIXSB-UHFFFAOYSA-N -1 3 407.520 5.417 50 0 HKAAHM Cc1ccc(CCC2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)cc1 ZINC000029146917 558710610 /nfs/dbraw/zinc/71/06/10/558710610.db2.gz OINDKWLPZSARIN-UHFFFAOYSA-N -1 3 401.510 5.235 50 0 HKAAHM COc1ccccc1-c1cc(C(=O)[N-]c2nc(-c3cc(C)c(C)cc3C)cs2)no1 ZINC000030035374 558726727 /nfs/dbraw/zinc/72/67/27/558726727.db2.gz KNENJBVJKCWRHG-UHFFFAOYSA-N -1 3 419.506 5.651 50 0 HKAAHM Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)sc1C ZINC000030700295 524178623 /nfs/dbraw/zinc/17/86/23/524178623.db2.gz QJLFNULZPPBYTD-UHFFFAOYSA-N -1 3 420.943 5.071 50 0 HKAAHM COc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1[O-] ZINC000030780035 568889707 /nfs/dbraw/zinc/88/97/07/568889707.db2.gz NDSXYSQHMTVZDJ-VIZZQPHQSA-N -1 3 404.304 5.106 50 0 HKAAHM CCOc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1[O-] ZINC000030952924 558746903 /nfs/dbraw/zinc/74/69/03/558746903.db2.gz OEQOBAVXCQOUOL-GOSISDBHSA-N -1 3 420.694 5.043 50 0 HKAAHM CCOc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1[O-] ZINC000030952926 558747012 /nfs/dbraw/zinc/74/70/12/558747012.db2.gz OEQOBAVXCQOUOL-SFHVURJKSA-N -1 3 420.694 5.043 50 0 HKAAHM O=C(Nc1ccccc1[O-])[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032103909 527428656 /nfs/dbraw/zinc/42/86/56/527428656.db2.gz DZKHDPKKUSKBOV-QHCPKHFHSA-N -1 3 418.537 5.216 50 0 HKAAHM O=C(Nc1ccccc1[O-])[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032103911 527429154 /nfs/dbraw/zinc/42/91/54/527429154.db2.gz DZKHDPKKUSKBOV-HSZRJFAPSA-N -1 3 418.537 5.216 50 0 HKAAHM CSc1ncc(Cl)c(C(=O)[N-]c2ccccc2SCc2ccsc2)n1 ZINC000032753557 526221703 /nfs/dbraw/zinc/22/17/03/526221703.db2.gz VXRDOLVOODQCQC-UHFFFAOYSA-N -1 3 407.973 5.458 50 0 HKAAHM CC(C)Cc1ccc([C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C(C)C)cc1 ZINC000032759981 519445627 /nfs/dbraw/zinc/44/56/27/519445627.db2.gz WDLFUDPHZVVIJG-QFIPXVFZSA-N -1 3 403.526 5.767 50 0 HKAAHM CC(C)Cc1ccc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C(C)C)cc1 ZINC000032759984 519450855 /nfs/dbraw/zinc/45/08/55/519450855.db2.gz WDLFUDPHZVVIJG-JOCHJYFZSA-N -1 3 403.526 5.767 50 0 HKAAHM C[C@@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032778802 526004387 /nfs/dbraw/zinc/00/43/87/526004387.db2.gz MQUKQLNTQHMAHR-MRVPVSSYSA-N -1 3 424.334 5.800 50 0 HKAAHM C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000032778803 526005515 /nfs/dbraw/zinc/00/55/15/526005515.db2.gz MQUKQLNTQHMAHR-QMMMGPOBSA-N -1 3 424.334 5.800 50 0 HKAAHM CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)Nc3ccccc3[O-])cc21 ZINC000032986503 558806507 /nfs/dbraw/zinc/80/65/07/558806507.db2.gz CGSHEFCNKCOGTQ-UHFFFAOYSA-N -1 3 414.461 5.267 50 0 HKAAHM CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)Nc3ccccc3[O-])cc21 ZINC000032986602 558806618 /nfs/dbraw/zinc/80/66/18/558806618.db2.gz LQZXWFXTOUQTJV-UHFFFAOYSA-N -1 3 418.880 5.912 50 0 HKAAHM CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)Nc3ccccc3[O-])cc21 ZINC000032986707 558806601 /nfs/dbraw/zinc/80/66/01/558806601.db2.gz KZEQWXFRPDUBJB-UHFFFAOYSA-N -1 3 402.425 5.398 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)cc1C ZINC000033020653 558836787 /nfs/dbraw/zinc/83/67/87/558836787.db2.gz FIKINZIEKMRREQ-UHFFFAOYSA-N -1 3 408.498 5.700 50 0 HKAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000033025766 558846536 /nfs/dbraw/zinc/84/65/36/558846536.db2.gz BMEDASNSMYPRRO-UHFFFAOYSA-N -1 3 412.898 5.298 50 0 HKAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c(C)c1 ZINC000033025781 558846761 /nfs/dbraw/zinc/84/67/61/558846761.db2.gz VKRLIGBSPLIPOE-UHFFFAOYSA-N -1 3 410.926 5.906 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)cc1C ZINC000033025801 558846773 /nfs/dbraw/zinc/84/67/73/558846773.db2.gz AROFKRORDNSYLF-UHFFFAOYSA-N -1 3 424.953 6.214 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c(C)c1 ZINC000033025813 558846750 /nfs/dbraw/zinc/84/67/50/558846750.db2.gz JJZNYBDQVGLTNZ-UHFFFAOYSA-N -1 3 408.498 5.700 50 0 HKAAHM CC[C@@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)c1ccc(C)cc1 ZINC000033040124 558869474 /nfs/dbraw/zinc/86/94/74/558869474.db2.gz FDCFTFYWRQSVIN-LJQANCHMSA-N -1 3 423.969 5.854 50 0 HKAAHM CC[C@H](NCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1)c1ccc(C)cc1 ZINC000033040125 558869533 /nfs/dbraw/zinc/86/95/33/558869533.db2.gz FDCFTFYWRQSVIN-IBGZPJMESA-N -1 3 423.969 5.854 50 0 HKAAHM CCOc1cc([C@@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1[O-] ZINC000033087890 558869647 /nfs/dbraw/zinc/86/96/47/558869647.db2.gz MGSPYMGWTVCTFP-JBYOLUDKSA-N -1 3 418.331 5.496 50 0 HKAAHM CCOc1cc([C@H]2Nc3ccc(C)cc3[C@H]3OCCC[C@@H]23)cc(Br)c1[O-] ZINC000033087891 558869703 /nfs/dbraw/zinc/86/97/03/558869703.db2.gz MGSPYMGWTVCTFP-ZKYUUJBMSA-N -1 3 418.331 5.496 50 0 HKAAHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4[nH]3)c2)cc1 ZINC000033116553 558877674 /nfs/dbraw/zinc/87/76/74/558877674.db2.gz ZWURIMWMBKPVIS-UHFFFAOYSA-N -1 3 419.550 5.101 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CCc3nc4ccccc4[nH]3)c2)cc1C ZINC000033116574 558877801 /nfs/dbraw/zinc/87/78/01/558877801.db2.gz KVBLLQSZMLHZGQ-UHFFFAOYSA-N -1 3 419.550 5.074 50 0 HKAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)c(C)c1 ZINC000033123999 558880045 /nfs/dbraw/zinc/88/00/45/558880045.db2.gz CEVIODPMGSCVHZ-UHFFFAOYSA-N -1 3 408.548 5.689 50 0 HKAAHM CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126253 558883948 /nfs/dbraw/zinc/88/39/48/558883948.db2.gz QWQMNVWDFKLUTQ-UHFFFAOYSA-N -1 3 420.944 5.064 50 0 HKAAHM CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccccc3)cc2n1 ZINC000033126320 558883957 /nfs/dbraw/zinc/88/39/57/558883957.db2.gz NOADIUVLKXFOQP-UHFFFAOYSA-N -1 3 414.553 5.225 50 0 HKAAHM CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126340 558884034 /nfs/dbraw/zinc/88/40/34/558884034.db2.gz ZLEUVLCWSHHTSI-UHFFFAOYSA-N -1 3 420.944 5.064 50 0 HKAAHM CCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126355 558883962 /nfs/dbraw/zinc/88/39/62/558883962.db2.gz PMJUNKCLRUVCIA-UHFFFAOYSA-N -1 3 414.553 5.144 50 0 HKAAHM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169152 527192703 /nfs/dbraw/zinc/19/27/03/527192703.db2.gz DFKMMVFPNLGCKC-UHFFFAOYSA-N -1 3 414.939 5.559 50 0 HKAAHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(-c2nc3ccccc3s2)cc1 ZINC000033169153 527190287 /nfs/dbraw/zinc/19/02/87/527190287.db2.gz FWNQPGDPYTXMHY-UHFFFAOYSA-N -1 3 416.474 5.183 50 0 HKAAHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000033169175 524639147 /nfs/dbraw/zinc/63/91/47/524639147.db2.gz IPFXBHKPCMRVMA-UHFFFAOYSA-N -1 3 408.548 5.522 50 0 HKAAHM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4ccc(C)c(C)c4)cc3)sc2c1 ZINC000033169177 526242465 /nfs/dbraw/zinc/24/24/65/526242465.db2.gz ACWGSTHIHUREAD-UHFFFAOYSA-N -1 3 422.575 5.830 50 0 HKAAHM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4cc(C)ccc4C)cc3)sc2c1 ZINC000033169178 526242423 /nfs/dbraw/zinc/24/24/23/526242423.db2.gz YSHQYPGMSCHGJU-UHFFFAOYSA-N -1 3 422.575 5.830 50 0 HKAAHM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)Cc4cccc(F)c4)cc3)sc2c1 ZINC000033169179 526241862 /nfs/dbraw/zinc/24/18/62/526241862.db2.gz HUXLCKPDDLRXPR-UHFFFAOYSA-N -1 3 412.511 5.353 50 0 HKAAHM Cc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c(C)c1 ZINC000033173409 558901588 /nfs/dbraw/zinc/90/15/88/558901588.db2.gz WVILVCYZCMDCRJ-UHFFFAOYSA-N -1 3 410.417 5.086 50 0 HKAAHM Cc1cc(C)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)c(C)c1 ZINC000033173419 558901651 /nfs/dbraw/zinc/90/16/51/558901651.db2.gz YQYFJXMVUMFISJ-UHFFFAOYSA-N -1 3 424.444 5.395 50 0 HKAAHM Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000033173468 558901584 /nfs/dbraw/zinc/90/15/84/558901584.db2.gz KSSXMAKEOURZDB-UHFFFAOYSA-N -1 3 416.808 5.123 50 0 HKAAHM Cc1ccc(C)c(CS(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000033289316 568513594 /nfs/dbraw/zinc/51/35/94/568513594.db2.gz VSIFQZWEJDZILJ-UHFFFAOYSA-N -1 3 408.548 5.522 50 0 HKAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c(C)s2)n1 ZINC000033289996 559046954 /nfs/dbraw/zinc/04/69/54/559046954.db2.gz RZSYWAUFYGYIAJ-UHFFFAOYSA-N -1 3 402.925 5.082 50 0 HKAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)s2)n1 ZINC000033290000 559046961 /nfs/dbraw/zinc/04/69/61/559046961.db2.gz IUNLZCOLVNGFGU-UHFFFAOYSA-N -1 3 402.925 5.082 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(C)s2)sc1C ZINC000033290067 559047037 /nfs/dbraw/zinc/04/70/37/559047037.db2.gz HAFPRHMLNRBUID-UHFFFAOYSA-N -1 3 412.989 5.559 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c(C)s2)sc1C ZINC000033290091 559047079 /nfs/dbraw/zinc/04/70/79/559047079.db2.gz LYOCMWQXHBBNIJ-UHFFFAOYSA-N -1 3 416.952 5.390 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)s2)sc1C ZINC000033290095 559047065 /nfs/dbraw/zinc/04/70/65/559047065.db2.gz ANGHOJVFUWZPBE-UHFFFAOYSA-N -1 3 416.952 5.390 50 0 HKAAHM CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000033293783 559048719 /nfs/dbraw/zinc/04/87/19/559048719.db2.gz HJBLEQGXLZPRAT-OVCLIPMQSA-N -1 3 410.278 5.339 50 0 HKAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc(C(C)C)cc3)c2)sc1C ZINC000033297708 559047554 /nfs/dbraw/zinc/04/75/54/559047554.db2.gz KNSXBUJSTUOJPE-UHFFFAOYSA-N -1 3 406.598 5.090 50 0 HKAAHM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3Cl)c2)n1 ZINC000033297709 559047561 /nfs/dbraw/zinc/04/75/61/559047561.db2.gz RJFGEPQCDHQZNS-UHFFFAOYSA-N -1 3 412.989 5.127 50 0 HKAAHM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)c2)n1 ZINC000033297710 568513151 /nfs/dbraw/zinc/51/31/51/568513151.db2.gz WOLNYWWUDPKEKP-UHFFFAOYSA-N -1 3 412.989 5.127 50 0 HKAAHM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000033299294 559049264 /nfs/dbraw/zinc/04/92/64/559049264.db2.gz QMSOBFPBJNFEIB-UHFFFAOYSA-N -1 3 422.837 5.185 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c(C)s2)cs1 ZINC000033308411 559052531 /nfs/dbraw/zinc/05/25/31/559052531.db2.gz CORAGAMLUSPTLG-UHFFFAOYSA-N -1 3 402.925 5.082 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)s2)cs1 ZINC000033308414 559052503 /nfs/dbraw/zinc/05/25/03/559052503.db2.gz KMAIMAPOAAFLJP-UHFFFAOYSA-N -1 3 402.925 5.082 50 0 HKAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3F)c(C)s2)cs1 ZINC000033308425 568514067 /nfs/dbraw/zinc/51/40/67/568514067.db2.gz SFXUQXNJCOSDTD-UHFFFAOYSA-N -1 3 402.925 5.082 50 0 HKAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)s2)cs1 ZINC000033308447 559052611 /nfs/dbraw/zinc/05/26/11/559052611.db2.gz PBSAYTVPGKNZEP-UHFFFAOYSA-N -1 3 416.952 5.336 50 0 HKAAHM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3Cl)c(C)s2)cs1 ZINC000033308452 559052602 /nfs/dbraw/zinc/05/26/02/559052602.db2.gz SLSYTWFDECXLNW-UHFFFAOYSA-N -1 3 416.952 5.336 50 0 HKAAHM O=C1[N-]C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1ccccc1 ZINC000033447283 559193239 /nfs/dbraw/zinc/19/32/39/559193239.db2.gz VKAHCRZAVKTTEK-ATVHPVEESA-N -1 3 412.923 5.650 50 0 HKAAHM O=c1nc(C(Cl)=Cc2ccc(Cl)cc2)[n-]c2scc(-c3cccs3)c21 ZINC000033499344 568515014 /nfs/dbraw/zinc/51/50/14/568515014.db2.gz BAVZIZKTKPZIQJ-MDWZMJQESA-N -1 3 405.331 6.516 50 0 HKAAHM O=C(Nc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Cl)c1ccccc1 ZINC000033761892 559242531 /nfs/dbraw/zinc/24/25/31/559242531.db2.gz IFJNLZXXDGDWDE-UHFFFAOYSA-N -1 3 421.305 5.047 50 0 HKAAHM O=c1c2ccccc2nc(/C=C\c2ccc(Br)cc2)n1-c1ccccc1[O-] ZINC000033788454 559245584 /nfs/dbraw/zinc/24/55/84/559245584.db2.gz MKLBYKIGMAMRLG-KAMYIIQDSA-N -1 3 419.278 5.024 50 0 HKAAHM O=S(=O)([N-]CCC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl ZINC000034201368 560587568 /nfs/dbraw/zinc/58/75/68/560587568.db2.gz WADCGNOIAPGTMF-UHFFFAOYSA-N -1 3 420.361 5.494 50 0 HKAAHM CC(C)=CCc1c([O-])c2c(=O)c(-c3ccc(O)cc3O)coc2c2c1OC(C)(C)C=C2 ZINC000035464242 291286742 /nfs/dbraw/zinc/28/67/42/291286742.db2.gz ZSSVYEUXLNVQMH-UHFFFAOYSA-N -1 3 420.461 5.270 50 0 biogenic,in-vitro HKAAHM Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000035476301 569038511 /nfs/dbraw/zinc/03/85/11/569038511.db2.gz SQJSZEFHSNJVAB-UHFFFAOYSA-N -1 3 422.963 5.220 50 0 HKAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4cc(Cl)sc4Cl)o3)oc21 ZINC000035586439 569046112 /nfs/dbraw/zinc/04/61/12/569046112.db2.gz MUHIMDOXDWFOMY-UHFFFAOYSA-N -1 3 410.238 5.112 50 0 HKAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4ccc(Cl)cc4Cl)o3)oc21 ZINC000035589996 569045393 /nfs/dbraw/zinc/04/53/93/569045393.db2.gz ZFUIBHYEXBTQDN-UHFFFAOYSA-N -1 3 404.209 5.051 50 0 HKAAHM COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C(C)C)cc2)cc(OC)c1[O-] ZINC000035606422 558794165 /nfs/dbraw/zinc/79/41/65/558794165.db2.gz GVCWXPNFGLBMIF-UHFFFAOYSA-N -1 3 417.509 5.900 50 0 HKAAHM CCc1cccc(C)c1Nc1c(-c2cc(OC)c([O-])c(OC)c2)nc2ccccn21 ZINC000035606448 558794213 /nfs/dbraw/zinc/79/42/13/558794213.db2.gz RRWJVVSVFAANHP-UHFFFAOYSA-N -1 3 403.482 5.339 50 0 HKAAHM CCc1cccc(C)c1Nc1c(-c2cc(OC)c([O-])c(OC)c2)nc2cccc(C)n21 ZINC000035615734 558794120 /nfs/dbraw/zinc/79/41/20/558794120.db2.gz XFNPSJQVQDJSGJ-UHFFFAOYSA-N -1 3 417.509 5.647 50 0 HKAAHM COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2C)cc(OC)c1[O-] ZINC000035615735 558794068 /nfs/dbraw/zinc/79/40/68/558794068.db2.gz QZGJTEPSTKJFBL-UHFFFAOYSA-N -1 3 403.482 5.393 50 0 HKAAHM CCc1cccc(C)c1Nc1c(-c2cc(OC)c([O-])c(OC)c2)nc2ccc(C)cn21 ZINC000035615738 558794220 /nfs/dbraw/zinc/79/42/20/558794220.db2.gz PSBAYHJCLRWGKX-UHFFFAOYSA-N -1 3 417.509 5.647 50 0 HKAAHM Cc1cccc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)c1C ZINC000035616236 558794493 /nfs/dbraw/zinc/79/44/93/558794493.db2.gz DWRBBVAQMPKKME-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)c1 ZINC000035616294 558794458 /nfs/dbraw/zinc/79/44/58/558794458.db2.gz MBAREJYUVQBSIF-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM COc1ccccc1Nc1c(-c2cc(Br)ccc2[O-])nc2ccccn21 ZINC000035616320 558794677 /nfs/dbraw/zinc/79/46/77/558794677.db2.gz JSTBRPMLTBRMSY-UHFFFAOYSA-N -1 3 410.271 5.222 50 0 HKAAHM COc1ccccc1Nc1c(-c2cc(Br)ccc2[O-])nc2ccc(C)cn21 ZINC000035616369 569357927 /nfs/dbraw/zinc/35/79/27/569357927.db2.gz AKYIZBSTJZCXPK-UHFFFAOYSA-N -1 3 424.298 5.530 50 0 HKAAHM Cc1ccc(Nc2c(-c3cc(Br)ccc3[O-])nc3cnccn32)c(C)c1 ZINC000035616431 558794630 /nfs/dbraw/zinc/79/46/30/558794630.db2.gz OLFBBAWDPUCTJM-UHFFFAOYSA-N -1 3 409.287 5.225 50 0 HKAAHM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2C)cc1Cl ZINC000035671693 569048482 /nfs/dbraw/zinc/04/84/82/569048482.db2.gz BMYYIOWREVQQQP-UHFFFAOYSA-N -1 3 424.840 5.183 50 0 HKAAHM COc1ccc(/C=C/c2nc(-c3ccccc3[O-])n(-c3ccc4ccccc4n3)n2)cc1 ZINC000036559216 560881921 /nfs/dbraw/zinc/88/19/21/560881921.db2.gz PGZOQRVIOATFDY-FOWTUZBSSA-N -1 3 420.472 5.367 50 0 HKAAHM O=C([N-]c1nc(-c2ccc(F)c(F)c2)cs1)c1cc(-c2cccc(F)c2)no1 ZINC000036760126 569227121 /nfs/dbraw/zinc/22/71/21/569227121.db2.gz PNRJKTYYSJCMOH-UHFFFAOYSA-N -1 3 401.369 5.135 50 0 HKAAHM COc1ccc(C)cc1-c1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000036760344 569227138 /nfs/dbraw/zinc/22/71/38/569227138.db2.gz ZLWAQEHTEFXABU-UHFFFAOYSA-N -1 3 409.442 5.174 50 0 HKAAHM O=C([N-]c1sccc1-c1nc2ccccc2s1)c1cc(-c2ccccc2)on1 ZINC000038493092 568998006 /nfs/dbraw/zinc/99/80/06/568998006.db2.gz FDNFXTOTPJWNLH-UHFFFAOYSA-N -1 3 403.488 5.932 50 0 HKAAHM COCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c([N-]C(=O)c3ccco3)c21 ZINC000038856051 571088693 /nfs/dbraw/zinc/08/86/93/571088693.db2.gz QBPGQDCGKVDPGI-UHFFFAOYSA-N -1 3 418.478 5.140 50 0 HKAAHM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000040040343 571142592 /nfs/dbraw/zinc/14/25/92/571142592.db2.gz ZHKRPSMOIZNWSC-UHFFFAOYSA-N -1 3 410.446 5.119 50 0 HKAAHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000040087160 571157605 /nfs/dbraw/zinc/15/76/05/571157605.db2.gz CXYIIUCCBYUTOE-UHFFFAOYSA-N -1 3 412.443 5.147 50 0 HKAAHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc(OCC)c3)nc(=O)c2c1C ZINC000040139670 569048150 /nfs/dbraw/zinc/04/81/50/569048150.db2.gz NWWRMARDRRYICB-UVTDQMKNSA-N -1 3 418.902 5.018 50 0 HKAAHM O=c1nc(C(Cl)=Cc2csnn2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000040139792 558824579 /nfs/dbraw/zinc/82/45/79/558824579.db2.gz XSUAENSUJUZJKH-XGICHPGQSA-N -1 3 407.307 5.306 50 0 HKAAHM CCOc1cc(-c2ccccc2)sc1C(=O)[N-]c1cc(C(=O)OC)c(F)cc1F ZINC000040145401 571195596 /nfs/dbraw/zinc/19/55/96/571195596.db2.gz NNUPWBWBHZDZEJ-UHFFFAOYSA-N -1 3 417.433 5.131 50 0 HKAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056386 568425876 /nfs/dbraw/zinc/42/58/76/568425876.db2.gz DZDDEZJUYDUPOB-MRXNPFEDSA-N -1 3 413.930 5.130 50 0 HKAAHM Cc1cc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c(C)s1 ZINC000046056388 568425956 /nfs/dbraw/zinc/42/59/56/568425956.db2.gz DZDDEZJUYDUPOB-INIZCTEOSA-N -1 3 413.930 5.130 50 0 HKAAHM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056510 568425918 /nfs/dbraw/zinc/42/59/18/568425918.db2.gz VLJSRIUYYWEDCQ-JOCHJYFZSA-N -1 3 409.489 5.259 50 0 HKAAHM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056512 568425901 /nfs/dbraw/zinc/42/59/01/568425901.db2.gz VLJSRIUYYWEDCQ-QFIPXVFZSA-N -1 3 409.489 5.259 50 0 HKAAHM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056514 568425961 /nfs/dbraw/zinc/42/59/61/568425961.db2.gz INQUYDYRKSEYGC-FQEVSTJZSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056517 568425862 /nfs/dbraw/zinc/42/58/62/568425862.db2.gz INQUYDYRKSEYGC-HXUWFJFHSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056520 568425849 /nfs/dbraw/zinc/42/58/49/568425849.db2.gz KBFSASGBLGRFRO-FQEVSTJZSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000046056523 568425904 /nfs/dbraw/zinc/42/59/04/568425904.db2.gz KBFSASGBLGRFRO-HXUWFJFHSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056561 568425890 /nfs/dbraw/zinc/42/58/90/568425890.db2.gz KJBCVQLZJBACEI-FQEVSTJZSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2cccc(Cl)c2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056564 568425942 /nfs/dbraw/zinc/42/59/42/568425942.db2.gz KJBCVQLZJBACEI-HXUWFJFHSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056566 568425922 /nfs/dbraw/zinc/42/59/22/568425922.db2.gz UIWCZYKLGHSLRU-FQEVSTJZSA-N -1 3 415.880 5.296 50 0 HKAAHM Cc1nn(-c2ccc(Cl)cc2)c2c1C(=C([O-])c1ccc3ccccc3c1)CC(=O)N2 ZINC000046056569 568425930 /nfs/dbraw/zinc/42/59/30/568425930.db2.gz UIWCZYKLGHSLRU-HXUWFJFHSA-N -1 3 415.880 5.296 50 0 HKAAHM [O-][C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F ZINC000048252104 568434294 /nfs/dbraw/zinc/43/42/94/568434294.db2.gz VSDGJKIBEFNFHQ-KRWDZBQOSA-N -1 3 413.490 5.296 50 0 HKAAHM [O-][C@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F ZINC000048252106 568434289 /nfs/dbraw/zinc/43/42/89/568434289.db2.gz VSDGJKIBEFNFHQ-QGZVFWFLSA-N -1 3 413.490 5.296 50 0 HKAAHM Cc1ccc(-c2csc3[n-]c(CN4CC=C(c5ccccc5)CC4)nc(=O)c23)s1 ZINC000057293405 568826152 /nfs/dbraw/zinc/82/61/52/568826152.db2.gz GBYQINFVVUHGCS-UHFFFAOYSA-N -1 3 419.575 5.311 50 0 HKAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@@H]1c1cccs1 ZINC000057331899 568827157 /nfs/dbraw/zinc/82/71/57/568827157.db2.gz VCSUQBUIIMVFRT-RHSMWYFYSA-N -1 3 407.564 5.611 50 0 HKAAHM O=c1nc(CN(Cc2ccc(F)cc2)C2CC2)[n-]c2scc(-c3cccs3)c21 ZINC000057363714 568829068 /nfs/dbraw/zinc/82/90/68/568829068.db2.gz WTDISVDLKVCJDX-UHFFFAOYSA-N -1 3 411.527 5.017 50 0 HKAAHM CCN(Cc1ccccc1)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000057432311 568836638 /nfs/dbraw/zinc/83/66/38/568836638.db2.gz FFNCOFRRIHWDAL-UHFFFAOYSA-N -1 3 403.551 5.291 50 0 HKAAHM CCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[n-]1 ZINC000057452099 568837902 /nfs/dbraw/zinc/83/79/02/568837902.db2.gz HHLXPCMEPNBYOM-UHFFFAOYSA-N -1 3 409.942 5.327 50 0 HKAAHM C[C@@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CC=C(c2ccccc2)CC1 ZINC000057470683 568838760 /nfs/dbraw/zinc/83/87/60/568838760.db2.gz YVNVDHSARFTVCB-HNNXBMFYSA-N -1 3 419.575 5.563 50 0 HKAAHM C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CC=C(c2ccccc2)CC1 ZINC000057470684 568838751 /nfs/dbraw/zinc/83/87/51/568838751.db2.gz YVNVDHSARFTVCB-OAHLLOKOSA-N -1 3 419.575 5.563 50 0 HKAAHM Cc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)cc1 ZINC000057547541 568852798 /nfs/dbraw/zinc/85/27/98/568852798.db2.gz WIJWGDJZRIDGGU-UHFFFAOYSA-N -1 3 409.942 5.245 50 0 HKAAHM O=c1nc(CN(Cc2ccco2)Cc2ccco2)[n-]c2sc(-c3ccccc3)cc21 ZINC000057611540 568855556 /nfs/dbraw/zinc/85/55/56/568855556.db2.gz TXLBKOKVICLMGX-UHFFFAOYSA-N -1 3 417.490 5.040 50 0 HKAAHM Cc1sc2[n-]c(CN3CCC[C@@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160092 558904873 /nfs/dbraw/zinc/90/48/73/558904873.db2.gz JZTNSWLEAWXWDV-QGZVFWFLSA-N -1 3 421.591 5.667 50 0 HKAAHM Cc1sc2[n-]c(CN3CCC[C@H]3c3cccs3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000058160093 558904860 /nfs/dbraw/zinc/90/48/60/558904860.db2.gz JZTNSWLEAWXWDV-KRWDZBQOSA-N -1 3 421.591 5.667 50 0 HKAAHM O=c1nc(CN2CCC[C@H]2c2cccs2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000058160094 558904912 /nfs/dbraw/zinc/90/49/12/558904912.db2.gz SQBBNPAFAQKSHU-INIZCTEOSA-N -1 3 411.527 5.189 50 0 HKAAHM O=c1nc(CN2CCC[C@@H]2c2cccs2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000058160095 558904844 /nfs/dbraw/zinc/90/48/44/558904844.db2.gz SQBBNPAFAQKSHU-MRXNPFEDSA-N -1 3 411.527 5.189 50 0 HKAAHM O=S(=O)([N-]c1ccc(Oc2cnccn2)cc1)c1ccc(C2CCCCC2)cc1 ZINC000058358192 558921912 /nfs/dbraw/zinc/92/19/12/558921912.db2.gz DCHKYJMDLQILPX-UHFFFAOYSA-N -1 3 409.511 5.117 50 0 HKAAHM Cc1c(C(=O)[N-]c2nc(-c3ccccc3)ns2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000058381688 558923149 /nfs/dbraw/zinc/92/31/49/558923149.db2.gz NZZUOFOGGUHHMH-UHFFFAOYSA-N -1 3 423.567 5.376 50 0 HKAAHM CCc1cc2c(CSc3nnc(C[C@@H](C)c4ccccc4)o3)cc(=O)oc2cc1[O-] ZINC000060385776 558954440 /nfs/dbraw/zinc/95/44/40/558954440.db2.gz AEXNVHUCXQVFQW-CQSZACIVSA-N -1 3 422.506 5.083 50 0 HKAAHM CCc1cc2c(CSc3nnc(C[C@H](C)c4ccccc4)o3)cc(=O)oc2cc1[O-] ZINC000060385777 558954432 /nfs/dbraw/zinc/95/44/32/558954432.db2.gz AEXNVHUCXQVFQW-AWEZNQCLSA-N -1 3 422.506 5.083 50 0 HKAAHM O=c1[n-]c(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2c3ccccc3oc21 ZINC000061132656 559217141 /nfs/dbraw/zinc/21/71/41/559217141.db2.gz RAMFKTOOAMUNFA-UHFFFAOYSA-N -1 3 410.804 6.046 50 0 HKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3C)on2)sc2c1CCCC2 ZINC000061997334 560564952 /nfs/dbraw/zinc/56/49/52/560564952.db2.gz TVKZCLGVMLYKEX-UHFFFAOYSA-N -1 3 410.495 5.019 50 0 HKAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000063803274 569016795 /nfs/dbraw/zinc/01/67/95/569016795.db2.gz JAMNGMOUHWGPMD-UHFFFAOYSA-N -1 3 409.898 5.238 50 0 HKAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000064450200 569062801 /nfs/dbraw/zinc/06/28/01/569062801.db2.gz ZVULIIODRUWGKZ-JOCHJYFZSA-N -1 3 409.489 5.259 50 0 HKAAHM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cccc3ccccc31)CC(=O)N2 ZINC000064450201 569062761 /nfs/dbraw/zinc/06/27/61/569062761.db2.gz ZVULIIODRUWGKZ-QFIPXVFZSA-N -1 3 409.489 5.259 50 0 HKAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000064669938 569079118 /nfs/dbraw/zinc/07/91/18/569079118.db2.gz JJHVHSUUQVEPGT-UHFFFAOYSA-N -1 3 402.541 5.051 50 0 HKAAHM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)cs1 ZINC000064669944 569079053 /nfs/dbraw/zinc/07/90/53/569079053.db2.gz RZTXWDXNGKKWHI-UHFFFAOYSA-N -1 3 408.495 5.321 50 0 HKAAHM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)cs1 ZINC000064670000 569079125 /nfs/dbraw/zinc/07/91/25/569079125.db2.gz XGGZYEBYTFAYND-UHFFFAOYSA-N -1 3 406.960 5.696 50 0 HKAAHM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000064670177 569079076 /nfs/dbraw/zinc/07/90/76/569079076.db2.gz ZYTPGMVLODCQDG-UHFFFAOYSA-N -1 3 422.959 5.280 50 0 HKAAHM CC(C)Sc1nc2ccc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000064747847 569089145 /nfs/dbraw/zinc/08/91/45/569089145.db2.gz BTMDTFMCRDUZGO-UHFFFAOYSA-N -1 3 414.524 5.017 50 0 HKAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@@H](C)c3ccc(C)cc3C)s2)n1 ZINC000064755841 569089776 /nfs/dbraw/zinc/08/97/76/569089776.db2.gz ZVOWPODWGHLKKS-AWEZNQCLSA-N -1 3 406.598 5.090 50 0 HKAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-][C@H](C)c3ccc(C)cc3C)s2)n1 ZINC000064755845 569089736 /nfs/dbraw/zinc/08/97/36/569089736.db2.gz ZVOWPODWGHLKKS-CQSZACIVSA-N -1 3 406.598 5.090 50 0 HKAAHM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)s2)n1 ZINC000064769439 569092564 /nfs/dbraw/zinc/09/25/64/569092564.db2.gz ZOGDMMDNIGOVHK-UHFFFAOYSA-N -1 3 412.989 5.127 50 0 HKAAHM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1C ZINC000064845804 569108229 /nfs/dbraw/zinc/10/82/29/569108229.db2.gz CWJXPVILVSPEAJ-UHFFFAOYSA-N -1 3 410.948 5.399 50 0 HKAAHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004434 569152502 /nfs/dbraw/zinc/15/25/02/569152502.db2.gz RPYIOGKAWHOBDV-KRWDZBQOSA-N -1 3 414.552 5.027 50 0 HKAAHM O=S(=O)([N-][C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004436 569152514 /nfs/dbraw/zinc/15/25/14/569152514.db2.gz RPYIOGKAWHOBDV-QGZVFWFLSA-N -1 3 414.552 5.027 50 0 HKAAHM O=S(=O)([N-]Cc1ccccc1Cl)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004605 558969233 /nfs/dbraw/zinc/96/92/33/558969233.db2.gz ROXFAKHQHZCHPX-UHFFFAOYSA-N -1 3 422.959 5.193 50 0 HKAAHM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004608 558969206 /nfs/dbraw/zinc/96/92/06/558969206.db2.gz JKGQVJBVBCXWAU-UHFFFAOYSA-N -1 3 422.959 5.193 50 0 HKAAHM O=S(=O)([N-]C1CCCCCCC1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004629 558969154 /nfs/dbraw/zinc/96/91/54/558969154.db2.gz YAIPHTKKYUGILY-UHFFFAOYSA-N -1 3 408.589 5.452 50 0 HKAAHM C[C@@H](C[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1)c1ccccc1 ZINC000065004794 558969444 /nfs/dbraw/zinc/96/94/44/558969444.db2.gz MPCZVUVGYDEJNV-HNNXBMFYSA-N -1 3 416.568 5.143 50 0 HKAAHM C[C@H](C[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1)c1ccccc1 ZINC000065004797 558969456 /nfs/dbraw/zinc/96/94/56/558969456.db2.gz MPCZVUVGYDEJNV-OAHLLOKOSA-N -1 3 416.568 5.143 50 0 HKAAHM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)cs1 ZINC000065060141 569163870 /nfs/dbraw/zinc/16/38/70/569163870.db2.gz UQAKHLBENMOZJZ-UHFFFAOYSA-N -1 3 408.495 5.321 50 0 HKAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000065060152 569163985 /nfs/dbraw/zinc/16/39/85/569163985.db2.gz DEWCDRIGHDETCR-UHFFFAOYSA-N -1 3 416.568 5.441 50 0 HKAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3ccc(C(C)C)cc3)c2)n1 ZINC000065116840 569179960 /nfs/dbraw/zinc/17/99/60/569179960.db2.gz DRJOCODYTHAIAK-UHFFFAOYSA-N -1 3 406.598 5.036 50 0 HKAAHM O=C([N-]c1ccsc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1 ZINC000065218771 569197551 /nfs/dbraw/zinc/19/75/51/569197551.db2.gz SHKAZJZLCHVSFD-UHFFFAOYSA-N -1 3 416.256 5.073 50 0 HKAAHM O=C([O-])c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000065739209 558980901 /nfs/dbraw/zinc/98/09/01/558980901.db2.gz FSHGEKXJPYDBSO-UHFFFAOYSA-N -1 3 406.913 5.027 50 0 in-vitro HKAAHM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cccnc1Oc1ccccc1 ZINC000065813206 569297812 /nfs/dbraw/zinc/29/78/12/569297812.db2.gz WEPAPEFGLNYBKD-UHFFFAOYSA-N -1 3 408.870 5.298 50 0 HKAAHM CCc1ccc(-c2cc([N-]C(=O)Nc3cc(-c4ccc(CC)cc4)no3)on2)cc1 ZINC000069417793 571227726 /nfs/dbraw/zinc/22/77/26/571227726.db2.gz IGGJNTJERICWDH-UHFFFAOYSA-N -1 3 402.454 5.765 50 0 HKAAHM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc1O ZINC000071279537 571290368 /nfs/dbraw/zinc/29/03/68/571290368.db2.gz PYOCKINPSLOLGV-IBGZPJMESA-N -1 3 401.532 5.062 50 0 HKAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc1O ZINC000071279538 571290430 /nfs/dbraw/zinc/29/04/30/571290430.db2.gz PYOCKINPSLOLGV-LJQANCHMSA-N -1 3 401.532 5.062 50 0 HKAAHM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCCC2)ccc1O ZINC000071281242 558763620 /nfs/dbraw/zinc/76/36/20/558763620.db2.gz WQYUZZNEVXKRBC-IBGZPJMESA-N -1 3 401.532 5.474 50 0 HKAAHM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCCC2)ccc1O ZINC000071281244 558763641 /nfs/dbraw/zinc/76/36/41/558763641.db2.gz WQYUZZNEVXKRBC-LJQANCHMSA-N -1 3 401.532 5.474 50 0 HKAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccc(Br)s1)CC(=O)N2 ZINC000071283746 558765605 /nfs/dbraw/zinc/76/56/05/558765605.db2.gz FLAPQHKPPCZCDG-NSHDSACASA-N -1 3 410.337 5.019 50 0 HKAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Br)s1)CC(=O)N2 ZINC000071283747 569251936 /nfs/dbraw/zinc/25/19/36/569251936.db2.gz FLAPQHKPPCZCDG-LLVKDONJSA-N -1 3 410.337 5.019 50 0 HKAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000071283788 569251973 /nfs/dbraw/zinc/25/19/73/569251973.db2.gz DLFNIEWJHVOGMN-LBPRGKRZSA-N -1 3 406.269 5.448 50 0 HKAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000071283789 569251998 /nfs/dbraw/zinc/25/19/98/569251998.db2.gz DLFNIEWJHVOGMN-GFCCVEGCSA-N -1 3 406.269 5.448 50 0 HKAAHM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1OC ZINC000071286432 569252245 /nfs/dbraw/zinc/25/22/45/569252245.db2.gz MXXFFOSPMCACRN-IBGZPJMESA-N -1 3 401.532 5.387 50 0 HKAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1OC ZINC000071286433 558765859 /nfs/dbraw/zinc/76/58/59/558765859.db2.gz MXXFFOSPMCACRN-LJQANCHMSA-N -1 3 401.532 5.387 50 0 HKAAHM O=C([N-]c1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCCC2)C(F)(F)F ZINC000071471625 571294265 /nfs/dbraw/zinc/29/42/65/571294265.db2.gz NYYFNQHPASGFQP-UHFFFAOYSA-N -1 3 401.837 5.402 50 0 HKAAHM Cc1ncsc1C(=O)[N-]c1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000072293333 558735824 /nfs/dbraw/zinc/73/58/24/558735824.db2.gz DMNSNRBBOWDIIZ-UHFFFAOYSA-N -1 3 400.369 5.377 50 0 HKAAHM O=C([N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ncoc1-c1cccs1 ZINC000072311541 558787582 /nfs/dbraw/zinc/78/75/82/558787582.db2.gz MMNBSXPZDMQCOK-UHFFFAOYSA-N -1 3 405.357 5.329 50 0 HKAAHM CC(C)(C)c1ccc(C(=O)[N-]C(=O)c2cc3ccccc3o/c2=N\c2ccccc2)cc1 ZINC000072332496 558892698 /nfs/dbraw/zinc/89/26/98/558892698.db2.gz BLIUGPBOXAZYJN-SGEDCAFJSA-N -1 3 424.500 5.533 50 0 HKAAHM Cc1sc2[n-]c(COCC(F)(F)F)nc(=O)c2c1-c1ccc(Cl)cc1Cl ZINC000084026875 568933082 /nfs/dbraw/zinc/93/30/82/568933082.db2.gz FNSFPPKWNGIKTK-UHFFFAOYSA-N -1 3 423.243 5.346 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000085411827 568986118 /nfs/dbraw/zinc/98/61/18/568986118.db2.gz LPYDHLVFZXNVKA-FQEVSTJZSA-N -1 3 411.502 5.362 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 ZINC000085411831 568986133 /nfs/dbraw/zinc/98/61/33/568986133.db2.gz LPYDHLVFZXNVKA-HXUWFJFHSA-N -1 3 411.502 5.362 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000085412280 568986208 /nfs/dbraw/zinc/98/62/08/568986208.db2.gz UNKLHDHNRAKKFA-FQEVSTJZSA-N -1 3 411.502 5.362 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccccc2OCc2cccc(F)c2)S1 ZINC000085412282 568986199 /nfs/dbraw/zinc/98/61/99/568986199.db2.gz UNKLHDHNRAKKFA-HXUWFJFHSA-N -1 3 411.502 5.362 50 0 HKAAHM COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc1OC(C)C ZINC000085412754 568986414 /nfs/dbraw/zinc/98/64/14/568986414.db2.gz QVIHIQJQMDOQBK-FQEVSTJZSA-N -1 3 415.559 5.364 50 0 HKAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCC2)cc1OC(C)C ZINC000085412759 568986430 /nfs/dbraw/zinc/98/64/30/568986430.db2.gz QVIHIQJQMDOQBK-HXUWFJFHSA-N -1 3 415.559 5.364 50 0 HKAAHM Cc1ccc(-c2nc(S(=O)(=O)[N-]Cc3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000094992806 568593400 /nfs/dbraw/zinc/59/34/00/568593400.db2.gz KCPYMPGZZFOUGX-UHFFFAOYSA-N -1 3 420.559 5.264 50 0 HKAAHM O=c1oc2c(Cl)cc(Cc3ccccc3Cl)cc2cc1-c1nc2ccccc2[n-]1 ZINC000095471155 568626351 /nfs/dbraw/zinc/62/63/51/568626351.db2.gz ZNTNGAFXGDFYBB-UHFFFAOYSA-N -1 3 421.283 6.234 50 0 HKAAHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000095950235 568667615 /nfs/dbraw/zinc/66/76/15/568667615.db2.gz OINJBNAZPKPZIQ-UHFFFAOYSA-N -1 3 419.896 6.074 50 0 HKAAHM CCS(=O)(=O)[N-]c1ccccc1-c1cc(-c2ccccc2)c2cc(C)ccc2n1 ZINC000096012474 568684718 /nfs/dbraw/zinc/68/47/18/568684718.db2.gz MYIJMHBBBSLKFM-UHFFFAOYSA-N -1 3 402.519 5.639 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc32)S1 ZINC000096118259 568697708 /nfs/dbraw/zinc/69/77/08/568697708.db2.gz NJZKWLJAYGXQMC-UZLBHIALSA-N -1 3 407.539 5.346 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc32)S1 ZINC000096118260 568697840 /nfs/dbraw/zinc/69/78/40/568697840.db2.gz NJZKWLJAYGXQMC-JXFKEZNVSA-N -1 3 407.539 5.346 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc32)S1 ZINC000096118261 568697909 /nfs/dbraw/zinc/69/79/09/568697909.db2.gz NJZKWLJAYGXQMC-OXQOHEQNSA-N -1 3 407.539 5.346 50 0 HKAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc32)S1 ZINC000096118262 568697715 /nfs/dbraw/zinc/69/77/15/568697715.db2.gz NJZKWLJAYGXQMC-OXJNMPFZSA-N -1 3 407.539 5.346 50 0 HKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@@H](C)C2 ZINC000096319641 568728366 /nfs/dbraw/zinc/72/83/66/568728366.db2.gz IDQXMLQWVMLRIN-CYBMUJFWSA-N -1 3 424.522 5.265 50 0 HKAAHM CCOC(=O)c1c([N-]C(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@H](C)C2 ZINC000096319642 568728323 /nfs/dbraw/zinc/72/83/23/568728323.db2.gz IDQXMLQWVMLRIN-ZDUSSCGKSA-N -1 3 424.522 5.265 50 0 HKAAHM CCCSc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cc2s1 ZINC000096399601 568747993 /nfs/dbraw/zinc/74/79/93/568747993.db2.gz NZDNXIRXXIRPTM-UHFFFAOYSA-N -1 3 412.989 5.394 50 0 HKAAHM CCCSc1nc2ccc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000096399602 568747898 /nfs/dbraw/zinc/74/78/98/568747898.db2.gz FSKKXSTXXKODMF-UHFFFAOYSA-N -1 3 412.989 5.394 50 0 HKAAHM CCCSc1nc2ccc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000096399603 568748044 /nfs/dbraw/zinc/74/80/44/568748044.db2.gz BTHLUHSBWHPDRT-UHFFFAOYSA-N -1 3 414.524 5.019 50 0 HKAAHM CC(C)Sc1nc2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000096399618 568748216 /nfs/dbraw/zinc/74/82/16/568748216.db2.gz GDMVTZQAEUTXTE-UHFFFAOYSA-N -1 3 412.989 5.392 50 0 HKAAHM Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1 ZINC000100050796 559117260 /nfs/dbraw/zinc/11/72/60/559117260.db2.gz WWMPJJGEDOGFQV-UHFFFAOYSA-N -1 3 404.084 5.105 50 0 HKAAHM Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1 ZINC000100052069 559118190 /nfs/dbraw/zinc/11/81/90/559118190.db2.gz HIGHNNJJUXGDED-UHFFFAOYSA-N -1 3 404.084 5.517 50 0 HKAAHM Cc1onc(-c2c(Cl)cccc2Cl)c1[N-]C(=O)N=[S@](C)(=O)c1ccccc1 ZINC000100218519 559132177 /nfs/dbraw/zinc/13/21/77/559132177.db2.gz NCSRAWJZCOAFRJ-HHHXNRCGSA-N -1 3 424.309 5.646 50 0 HKAAHM Cc1ccccc1[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)N=C2c3ccccc3C(=O)C21 ZINC000101642955 560797642 /nfs/dbraw/zinc/79/76/42/560797642.db2.gz SCRQQRSKVQSOIV-FQEVSTJZSA-N -1 3 405.457 5.435 50 0 aggregator HKAAHM Cc1ccccc1[C@H]1c2c([n-]n(-c3ccccc3)c2=O)N=C2c3ccccc3C(=O)C21 ZINC000101642958 560797597 /nfs/dbraw/zinc/79/75/97/560797597.db2.gz SCRQQRSKVQSOIV-HXUWFJFHSA-N -1 3 405.457 5.435 50 0 aggregator HKAAHM Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101812356 560802378 /nfs/dbraw/zinc/80/23/78/560802378.db2.gz VTWIZXSNNGFUPC-FQEVSTJZSA-N -1 3 405.457 5.435 50 0 HKAAHM Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101812360 560802391 /nfs/dbraw/zinc/80/23/91/560802391.db2.gz VTWIZXSNNGFUPC-HXUWFJFHSA-N -1 3 405.457 5.435 50 0 HKAAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc2ccccc21 ZINC000102615204 560818074 /nfs/dbraw/zinc/81/80/74/560818074.db2.gz WSJUBIBMZDECMF-QFIPXVFZSA-N -1 3 407.473 5.945 50 0 HKAAHM O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc2ccccc21 ZINC000102615208 560818141 /nfs/dbraw/zinc/81/81/41/560818141.db2.gz WSJUBIBMZDECMF-JOCHJYFZSA-N -1 3 407.473 5.945 50 0 HKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1F ZINC000102644542 560819785 /nfs/dbraw/zinc/81/97/85/560819785.db2.gz MNVVBVAILOADER-IBGZPJMESA-N -1 3 403.457 5.567 50 0 HKAAHM CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1F ZINC000102644544 560819822 /nfs/dbraw/zinc/81/98/22/560819822.db2.gz MNVVBVAILOADER-LJQANCHMSA-N -1 3 403.457 5.567 50 0 HKAAHM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3ccc(O)cc3)C12 ZINC000102739286 560824822 /nfs/dbraw/zinc/82/48/22/560824822.db2.gz RUIWBTOVXBTOHA-BFUOFWGJSA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@@H](c3ccc(O)cc3)C12 ZINC000102739288 560824761 /nfs/dbraw/zinc/82/47/61/560824761.db2.gz RUIWBTOVXBTOHA-YJYMSZOUSA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3ccc(O)cc3)C12 ZINC000102739292 560824743 /nfs/dbraw/zinc/82/47/43/560824743.db2.gz RUIWBTOVXBTOHA-ORAYPTAESA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@@H](c3ccc(O)cc3)C12 ZINC000102739297 560824748 /nfs/dbraw/zinc/82/47/48/560824748.db2.gz RUIWBTOVXBTOHA-DJJJIMSYSA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3cccc(O)c3)C12 ZINC000102741896 560823703 /nfs/dbraw/zinc/82/37/03/560823703.db2.gz IPZVVDZDIAOFCN-BFUOFWGJSA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@@H](c3cccc(O)c3)C12 ZINC000102741899 560823606 /nfs/dbraw/zinc/82/36/06/560823606.db2.gz IPZVVDZDIAOFCN-YJYMSZOUSA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@H](c3cccc(O)c3)C12 ZINC000102741901 560823688 /nfs/dbraw/zinc/82/36/88/560823688.db2.gz IPZVVDZDIAOFCN-ORAYPTAESA-N -1 3 408.845 5.058 50 0 HKAAHM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3[N-][C@@H](c3cccc(O)c3)C12 ZINC000102741902 560823623 /nfs/dbraw/zinc/82/36/23/560823623.db2.gz IPZVVDZDIAOFCN-DJJJIMSYSA-N -1 3 408.845 5.058 50 0 HKAAHM CSc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102867157 560832738 /nfs/dbraw/zinc/83/27/38/560832738.db2.gz XBFVWGNYJBMDJP-IBGZPJMESA-N -1 3 403.507 5.514 50 0 HKAAHM CSc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102867159 560832720 /nfs/dbraw/zinc/83/27/20/560832720.db2.gz XBFVWGNYJBMDJP-LJQANCHMSA-N -1 3 403.507 5.514 50 0 HKAAHM CCc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102897680 560834816 /nfs/dbraw/zinc/83/48/16/560834816.db2.gz ASOGAMOYKIBHBD-NRFANRHFSA-N -1 3 413.521 5.990 50 0 HKAAHM CCc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102897684 560834880 /nfs/dbraw/zinc/83/48/80/560834880.db2.gz ASOGAMOYKIBHBD-OAQYLSRUSA-N -1 3 413.521 5.990 50 0 HKAAHM O=C([N-]c1nc(-c2ccccc2)c2c(-c3ccccc3)ccnn12)Nc1ccccc1 ZINC000169681447 569127501 /nfs/dbraw/zinc/12/75/01/569127501.db2.gz UPXRBJQWJJWKTP-UHFFFAOYSA-N -1 3 405.461 5.707 50 0 HKAAHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(c2nc3ccccc3s2)CC1 ZINC000170607834 569244618 /nfs/dbraw/zinc/24/46/18/569244618.db2.gz NNNVHXYVIMCXKN-UHFFFAOYSA-N -1 3 406.429 5.041 50 0 HKAAHM Cc1ccc2c(CN[C@H](c3nc4ccccc4n3C)c3ccccc3)ccc([O-])c2n1 ZINC000170616908 569247593 /nfs/dbraw/zinc/24/75/93/569247593.db2.gz SLRZRXOQDCAKEB-DEOSSOPVSA-N -1 3 408.505 5.015 50 0 HKAAHM Cc1ccc2c(CN[C@@H](c3nc4ccccc4n3C)c3ccccc3)ccc([O-])c2n1 ZINC000170616909 569247607 /nfs/dbraw/zinc/24/76/07/569247607.db2.gz SLRZRXOQDCAKEB-XMMPIXPASA-N -1 3 408.505 5.015 50 0 HKAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c(C)c1C ZINC000170627792 569250297 /nfs/dbraw/zinc/25/02/97/569250297.db2.gz YPDNYRWPKQMQRE-UHFFFAOYSA-N -1 3 419.597 5.032 50 0 HKAAHM Cc1cccc(NC2CCN(C(=O)c3cc(Cc4ccccc4)ccc3[O-])CC2)c1 ZINC000170638218 569280219 /nfs/dbraw/zinc/28/02/19/569280219.db2.gz AQORIUSBVFSGIC-UHFFFAOYSA-N -1 3 400.522 5.008 50 0 HKAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@H]1c1cccs1 ZINC000242001068 569369920 /nfs/dbraw/zinc/36/99/20/569369920.db2.gz VCSUQBUIIMVFRT-PBHICJAKSA-N -1 3 407.564 6.024 50 0 HKAAHM C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@H]1c1cccs1 ZINC000242001069 569369825 /nfs/dbraw/zinc/36/98/25/569369825.db2.gz VCSUQBUIIMVFRT-YOEHRIQHSA-N -1 3 407.564 6.024 50 0 HKAAHM C[C@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@H]1c1cccn1C ZINC000242196968 569369815 /nfs/dbraw/zinc/36/98/15/569369815.db2.gz XGOLHSORZMIRMQ-BEFAXECRSA-N -1 3 404.539 5.301 50 0 HKAAHM C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[n-]1)N1CCC[C@H]1c1cccn1C ZINC000242196969 569369939 /nfs/dbraw/zinc/36/99/39/569369939.db2.gz XGOLHSORZMIRMQ-KXBFYZLASA-N -1 3 404.539 5.301 50 0 HKAAHM COc1ccc(-c2cc(=Nc3ccc(Br)cc3)c3cc([O-])ccc3o2)cc1 ZINC000252667095 569319104 /nfs/dbraw/zinc/31/91/04/569319104.db2.gz CQYKPKLKNXNBDG-UHFFFAOYSA-N -1 3 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