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)coc-2c2c1OC(C)(C)C=C2 ZINC000000538127 291286715 /nfs/dbraw/zinc/28/67/15/291286715.db2.gz DCTLJGWMHPGCOS-UHFFFAOYSA-N -1 1 404.462 5.564 50 0 aggregator,biogenic,in-vitro HKAAMM O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ccccc2c1 ZINC000000629275 557024947 /nfs/dbraw/zinc/02/49/47/557024947.db2.gz RTAWDVVDBLQHKK-UHFFFAOYSA-N -1 1 405.504 5.017 50 0 HKAAMM O=S(=O)([N-]c1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000000629362 557025207 /nfs/dbraw/zinc/02/52/07/557025207.db2.gz DBJCVBFBMUPBKF-UHFFFAOYSA-N -1 1 424.334 5.170 50 0 HKAAMM Cc1cccn2cc(-c3cccc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)nc12 ZINC000000629430 557025302 /nfs/dbraw/zinc/02/53/02/557025302.db2.gz KMUUMRFGYDGPTH-UHFFFAOYSA-N -1 1 419.550 5.408 50 0 HKAAMM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3)nc12 ZINC000000629593 557025166 /nfs/dbraw/zinc/02/51/66/557025166.db2.gz XRADGNIMKLJGMS-UHFFFAOYSA-N -1 1 413.502 5.264 50 0 HKAAMM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4cccc5ccccc54)cc3)nc12 ZINC000000629600 557025621 /nfs/dbraw/zinc/02/56/21/557025621.db2.gz PSDAGGTXTBNVMB-UHFFFAOYSA-N -1 1 413.502 5.264 50 0 HKAAMM O=S(=O)([N-]c1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)c(Cl)c1 ZINC000000630183 557025736 /nfs/dbraw/zinc/02/57/36/557025736.db2.gz ONPQGMYQMMQTCQ-UHFFFAOYSA-N -1 1 418.902 5.557 50 0 HKAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000000630317 557026095 /nfs/dbraw/zinc/02/60/95/557026095.db2.gz QCHWJGRPSGZUSQ-UHFFFAOYSA-N -1 1 401.871 5.136 50 0 HKAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1C ZINC000000640347 557032345 /nfs/dbraw/zinc/03/23/45/557032345.db2.gz NFYORBVFRXJSRE-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 ZINC000000645595 557035254 /nfs/dbraw/zinc/03/52/54/557035254.db2.gz UIHVSWXJDTVCSH-UHFFFAOYSA-N -1 1 411.523 5.512 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc21 ZINC000000645711 557035590 /nfs/dbraw/zinc/03/55/90/557035590.db2.gz OVHWBQIMNKTHNB-UHFFFAOYSA-N -1 1 421.518 6.021 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)cc2Cl ZINC000000645712 557035676 /nfs/dbraw/zinc/03/56/76/557035676.db2.gz ZXALBIGVBSYIGH-UHFFFAOYSA-N -1 1 405.903 5.323 50 0 HKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Cl)c2)cc1C ZINC000000645713 557035664 /nfs/dbraw/zinc/03/56/64/557035664.db2.gz ODXVLWJMRQFGPX-UHFFFAOYSA-N -1 1 417.914 5.331 50 0 HKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c3ccccc23)cc1 ZINC000000645721 557035695 /nfs/dbraw/zinc/03/56/95/557035695.db2.gz XGZNFLFWTHKAFL-UHFFFAOYSA-N -1 1 413.520 5.106 50 0 HKAAMM O=C([N-]c1nc(SCc2ccc(F)cc2)ns1)c1cc(F)c(F)cc1Cl ZINC000000645826 557035650 /nfs/dbraw/zinc/03/56/50/557035650.db2.gz DDBNCUHXFHTVIT-UHFFFAOYSA-N -1 1 415.849 5.153 50 0 HKAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000000648376 568457556 /nfs/dbraw/zinc/45/75/56/568457556.db2.gz TWKAOPADBDMWOZ-UHFFFAOYSA-N -1 1 414.849 5.213 50 0 HKAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000000649245 557038058 /nfs/dbraw/zinc/03/80/58/557038058.db2.gz AOHNZEZMOOLFSZ-UHFFFAOYSA-N -1 1 420.897 5.594 50 0 HKAAMM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3c2C(=O)C1 ZINC000000651704 557039021 /nfs/dbraw/zinc/03/90/21/557039021.db2.gz FPSRFFAOACTUND-UHFFFAOYSA-N -1 1 403.887 5.042 50 0 HKAAMM COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc1OC ZINC000000666704 557045925 /nfs/dbraw/zinc/04/59/25/557045925.db2.gz SZFAFBAWLQJXEH-UHFFFAOYSA-N -1 1 424.840 5.123 50 0 HKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000000674157 557051135 /nfs/dbraw/zinc/05/11/35/557051135.db2.gz QFZJOVQWZZNDKJ-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1 ZINC000000677868 557053829 /nfs/dbraw/zinc/05/38/29/557053829.db2.gz ZRERPUFOLINSTI-UHFFFAOYSA-N -1 1 405.475 5.214 50 0 HKAAMM CC(C)N1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000000711765 557066398 /nfs/dbraw/zinc/06/63/98/557066398.db2.gz OEHJUEXRJWSZDI-LBPRGKRZSA-N -1 1 408.376 5.063 50 0 HKAAMM CC(C)N1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000000711768 557066545 /nfs/dbraw/zinc/06/65/45/557066545.db2.gz OEHJUEXRJWSZDI-GFCCVEGCSA-N -1 1 408.376 5.063 50 0 HKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c1 ZINC000000717496 557068773 /nfs/dbraw/zinc/06/87/73/557068773.db2.gz BGIXBLOTMITKKC-OAHLLOKOSA-N -1 1 419.546 6.128 50 0 HKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c1 ZINC000000717497 557068745 /nfs/dbraw/zinc/06/87/45/557068745.db2.gz BGIXBLOTMITKKC-HNNXBMFYSA-N -1 1 419.546 6.128 50 0 HKAAMM COC(=O)NC(=S)[N-]c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000722128 557070943 /nfs/dbraw/zinc/07/09/43/557070943.db2.gz RXSUCXKFFINDGA-UHFFFAOYSA-N -1 1 405.690 5.492 50 0 HKAAMM Cc1cc2nc(-c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[O-])oc2cc1C ZINC000000722727 557071525 /nfs/dbraw/zinc/07/15/25/557071525.db2.gz FCBCGWDJGHTIGE-UHFFFAOYSA-N -1 1 422.868 5.488 50 0 HKAAMM Cc1cc2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3[O-])oc2cc1C ZINC000000722931 557071493 /nfs/dbraw/zinc/07/14/93/557071493.db2.gz DYPJLMPQBSURFT-UHFFFAOYSA-N -1 1 406.869 5.652 50 0 HKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccccc4)cc3Cl)c2C(=O)C1 ZINC000000752700 557075495 /nfs/dbraw/zinc/07/54/95/557075495.db2.gz SXJJHKSNIOCMRJ-UHFFFAOYSA-N -1 1 403.887 5.042 50 0 HKAAMM CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4ccccc4)c4ccccc34)c2C(=O)C1 ZINC000000752711 557075609 /nfs/dbraw/zinc/07/56/09/557075609.db2.gz XALOOBPOJIADQL-UHFFFAOYSA-N -1 1 419.502 5.542 50 0 HKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000000756230 568472391 /nfs/dbraw/zinc/47/23/91/568472391.db2.gz BMKSKIMVOXCSIJ-UHFFFAOYSA-N -1 1 408.548 5.635 50 0 HKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000000792550 568481130 /nfs/dbraw/zinc/48/11/30/568481130.db2.gz JXFSWDPLZVMGJR-UHFFFAOYSA-N -1 1 402.907 5.455 50 0 HKAAMM COc1ccc(Cc2nnc([N-]C(=O)c3sc4ccccc4c3Cl)s2)cc1 ZINC000000795387 557082900 /nfs/dbraw/zinc/08/29/00/557082900.db2.gz JEGVAAPCZIENIM-UHFFFAOYSA-N -1 1 415.927 5.258 50 0 HKAAMM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(C(C)C)c1 ZINC000000826068 557093767 /nfs/dbraw/zinc/09/37/67/557093767.db2.gz KCBRMOCMJVGUGE-UHFFFAOYSA-N -1 1 410.583 6.406 50 0 HKAAMM O=C([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000000826963 557094446 /nfs/dbraw/zinc/09/44/46/557094446.db2.gz VUAGHTSSJWHKKE-UHFFFAOYSA-N -1 1 419.278 5.871 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc21 ZINC000000834417 557096019 /nfs/dbraw/zinc/09/60/19/557096019.db2.gz RXBWYIWFYMZKHZ-UHFFFAOYSA-N -1 1 407.491 5.515 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc21 ZINC000000834420 557096099 /nfs/dbraw/zinc/09/60/99/557096099.db2.gz PIZSYSCKPFFVDW-UHFFFAOYSA-N -1 1 421.518 5.823 50 0 HKAAMM CCc1ccc(S(=O)(=O)[N-]c2cc3c(oc(C)c3C(C)=O)c3ccccc23)cc1 ZINC000000834426 557096068 /nfs/dbraw/zinc/09/60/68/557096068.db2.gz XDBWFXVMXVCNIU-UHFFFAOYSA-N -1 1 407.491 5.460 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)c(C)c1 ZINC000000834437 557096044 /nfs/dbraw/zinc/09/60/44/557096044.db2.gz XVKOBTKODUMGFU-UHFFFAOYSA-N -1 1 419.502 5.523 50 0 biogenic HKAAMM Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3[O-])oc2c(C)c1 ZINC000000850279 557100718 /nfs/dbraw/zinc/10/07/18/557100718.db2.gz PFLPBPXGYGOSKT-UHFFFAOYSA-N -1 1 402.450 5.143 50 0 HKAAMM CC(C)CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000850735 559289159 /nfs/dbraw/zinc/28/91/59/559289159.db2.gz ZSXOXIODKXEIMJ-ZDUSSCGKSA-N -1 1 422.403 5.311 50 0 HKAAMM CC(C)CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000850736 559289152 /nfs/dbraw/zinc/28/91/52/559289152.db2.gz ZSXOXIODKXEIMJ-CYBMUJFWSA-N -1 1 422.403 5.311 50 0 HKAAMM O=S(=O)([N-]c1ccc(Sc2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000000859493 568713415 /nfs/dbraw/zinc/71/34/15/568713415.db2.gz ZBIBUXYQHFIWFR-UHFFFAOYSA-N -1 1 417.555 5.890 50 0 HKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccccc3)ccc2oc1-c1ccccc1 ZINC000000940630 557121337 /nfs/dbraw/zinc/12/13/37/557121337.db2.gz VATLJHBWYCYVTQ-UHFFFAOYSA-N -1 1 421.474 5.077 50 0 HKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1 ZINC000000940635 557121390 /nfs/dbraw/zinc/12/13/90/557121390.db2.gz JCKLKAUKMOHAPS-UHFFFAOYSA-N -1 1 423.490 5.297 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)cc2Cl ZINC000000944063 557122158 /nfs/dbraw/zinc/12/21/58/557122158.db2.gz OXDIQSKQEXPFFA-UHFFFAOYSA-N -1 1 419.930 5.696 50 0 HKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c(Cl)c2)c(C)c1 ZINC000000944075 557122180 /nfs/dbraw/zinc/12/21/80/557122180.db2.gz CJPBDRPCAJZJTH-UHFFFAOYSA-N -1 1 417.914 5.331 50 0 HKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)c(C)c1 ZINC000000944105 557122174 /nfs/dbraw/zinc/12/21/74/557122174.db2.gz UHSKJAJTEMYEOK-UHFFFAOYSA-N -1 1 419.546 6.191 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 ZINC000000944534 568754406 /nfs/dbraw/zinc/75/44/06/568754406.db2.gz RJYOVUQIOZBGGK-HNNXBMFYSA-N -1 1 421.518 5.520 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 ZINC000000944535 568754350 /nfs/dbraw/zinc/75/43/50/568754350.db2.gz RJYOVUQIOZBGGK-OAHLLOKOSA-N -1 1 421.518 5.520 50 0 HKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c1 ZINC000000944542 568754389 /nfs/dbraw/zinc/75/43/89/568754389.db2.gz MBZNDJBKZOWREV-QGZVFWFLSA-N -1 1 411.567 6.001 50 0 HKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c1 ZINC000000944543 569321940 /nfs/dbraw/zinc/32/19/40/569321940.db2.gz MBZNDJBKZOWREV-KRWDZBQOSA-N -1 1 411.567 6.001 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc21 ZINC000000944544 557122487 /nfs/dbraw/zinc/12/24/87/557122487.db2.gz JYAPLDZBJOZAHD-UHFFFAOYSA-N -1 1 407.491 5.515 50 0 HKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1c(Cl)cccc1Cl ZINC000000953506 557125483 /nfs/dbraw/zinc/12/54/83/557125483.db2.gz XFUNBJJBPIXUFS-UHFFFAOYSA-N -1 1 404.624 5.466 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Sc2ccccc2)cc1 ZINC000000959107 568758236 /nfs/dbraw/zinc/75/82/36/568758236.db2.gz PHLWPMPGOFQTKR-UHFFFAOYSA-N -1 1 423.481 5.966 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 ZINC000000971767 568759175 /nfs/dbraw/zinc/75/91/75/568759175.db2.gz MHTFASZZAVTSKN-UHFFFAOYSA-N -1 1 422.531 5.287 50 0 HKAAMM O=C(Oc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000000975841 568759573 /nfs/dbraw/zinc/75/95/73/568759573.db2.gz WXTJIFPJDTZUTC-UHFFFAOYSA-N -1 1 422.289 5.013 50 0 HKAAMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000000991958 557135394 /nfs/dbraw/zinc/13/53/94/557135394.db2.gz UCZLMBSTJXKSSU-UHFFFAOYSA-N -1 1 418.312 5.351 50 0 HKAAMM COC(=O)NC(=S)[N-]c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000000992525 557135370 /nfs/dbraw/zinc/13/53/70/557135370.db2.gz CSVADAVAPAOWCG-UHFFFAOYSA-N -1 1 405.690 5.492 50 0 HKAAMM CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 ZINC000001004488 557140536 /nfs/dbraw/zinc/14/05/36/557140536.db2.gz QYHYDTBGOZMNLY-UHFFFAOYSA-N -1 1 402.903 5.216 50 0 HKAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 ZINC000001006540 557141097 /nfs/dbraw/zinc/14/10/97/557141097.db2.gz YVHGTOOEISXGEW-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000001022577 568763696 /nfs/dbraw/zinc/76/36/96/568763696.db2.gz VCOFMLMWKFMAJK-CAOOACKPSA-N -1 1 424.305 5.295 50 0 HKAAMM O=C([N-]c1nnc(C2CC2)s1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000001031143 557146906 /nfs/dbraw/zinc/14/69/06/557146906.db2.gz PCJCTZBXTBJNLS-UHFFFAOYSA-N -1 1 413.808 5.600 50 0 HKAAMM O=S(=O)([N-]Cc1csc2ccc(Cl)cc12)c1cc(Cl)sc1Cl ZINC000001032482 557147865 /nfs/dbraw/zinc/14/78/65/557147865.db2.gz ZIZZAFKDSZLKTI-UHFFFAOYSA-N -1 1 412.772 5.402 50 0 HKAAMM CCn1c(=S)[n-]nc1-c1oc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N ZINC000001035489 557150325 /nfs/dbraw/zinc/15/03/25/557150325.db2.gz SEBVTVTYTOBQCJ-UHFFFAOYSA-N -1 1 403.467 5.278 50 0 HKAAMM O=C(NC(=S)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccccc1 ZINC000001038232 557151660 /nfs/dbraw/zinc/15/16/60/557151660.db2.gz CTUJEQGZRAJGHZ-UHFFFAOYSA-N -1 1 408.323 5.210 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2SCc2ccccc2)cc1 ZINC000001040911 557153373 /nfs/dbraw/zinc/15/33/73/557153373.db2.gz WVNGZBTVEHKGOQ-UHFFFAOYSA-N -1 1 403.956 5.742 50 0 HKAAMM Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(Cl)cc2Cl)cc1 ZINC000001044856 569030362 /nfs/dbraw/zinc/03/03/62/569030362.db2.gz DFZKLZWYAAVBPZ-UHFFFAOYSA-N -1 1 409.294 5.169 50 0 HKAAMM COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc(C(F)(F)F)c1 ZINC000001048734 557158154 /nfs/dbraw/zinc/15/81/54/557158154.db2.gz CYSUYUKLMUGWNX-UHFFFAOYSA-N -1 1 401.450 5.057 50 0 HKAAMM COc1ccc(-c2nnc([N-]C(=O)c3sc4ccccc4c3Cl)s2)cc1 ZINC000001054195 557161276 /nfs/dbraw/zinc/16/12/76/557161276.db2.gz RWADOWBOCQBXKU-UHFFFAOYSA-N -1 1 401.900 5.334 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 ZINC000001057620 569277081 /nfs/dbraw/zinc/27/70/81/569277081.db2.gz WDKMHYKKNASERZ-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c([O-])c2)c(C)c1 ZINC000001057788 557162201 /nfs/dbraw/zinc/16/22/01/557162201.db2.gz PCLGDWOCMUAILB-UHFFFAOYSA-N -1 1 416.477 5.452 50 0 HKAAMM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000001059652 569277109 /nfs/dbraw/zinc/27/71/09/569277109.db2.gz ZTXXZVQTBADCKB-UHFFFAOYSA-N -1 1 402.519 5.374 50 0 HKAAMM Cc1nc(SCc2ccc(Br)cc2)[n-]c(=O)c1Cc1ccccc1 ZINC000001061536 557163989 /nfs/dbraw/zinc/16/39/89/557163989.db2.gz RWXAVNRVOSXMFI-UHFFFAOYSA-N -1 1 401.329 5.136 50 0 HKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CSc1ccccc1 ZINC000001062448 557164700 /nfs/dbraw/zinc/16/47/00/557164700.db2.gz DAFNNZWQTJQQAP-UHFFFAOYSA-N -1 1 420.328 5.115 50 0 HKAAMM 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5.023 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Br)cc4)ccc3[O-])nc2c1 ZINC000001209593 557242719 /nfs/dbraw/zinc/24/27/19/557242719.db2.gz MKGWSAYAYLUQDF-UHFFFAOYSA-N -1 1 423.266 5.524 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3[O-])nc2c1 ZINC000001209605 557242644 /nfs/dbraw/zinc/24/26/44/557242644.db2.gz BZIBDZDUDGINMP-UHFFFAOYSA-N -1 1 413.260 6.068 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])nc2c1 ZINC000001210339 557243058 /nfs/dbraw/zinc/24/30/58/557243058.db2.gz OVDWZWRINZVVKS-UHFFFAOYSA-N -1 1 413.260 6.068 50 0 HKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1Cl ZINC000001213971 557244863 /nfs/dbraw/zinc/24/48/63/557244863.db2.gz VSDKXHCNBSNFFW-LICLKQGHSA-N -1 1 405.928 5.647 50 0 HKAAMM O=C(COc1ccc2ccccc2c1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000001215578 568834228 /nfs/dbraw/zinc/83/42/28/568834228.db2.gz TUKYOMYPMIVGJG-UHFFFAOYSA-N -1 1 410.429 5.371 50 0 HKAAMM CC(C)CCN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000001275507 568909848 /nfs/dbraw/zinc/90/98/48/568909848.db2.gz DFYYUCZVDHFAOD-FQEVSTJZSA-N -1 1 410.518 5.003 50 0 HKAAMM CC(C)CCN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000001275508 568909796 /nfs/dbraw/zinc/90/97/96/568909796.db2.gz DFYYUCZVDHFAOD-HXUWFJFHSA-N -1 1 410.518 5.003 50 0 HKAAMM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000001426175 557261806 /nfs/dbraw/zinc/26/18/06/557261806.db2.gz HIWJARFWJOFGJW-UHFFFAOYSA-N -1 1 419.546 5.766 50 0 HKAAMM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001444253 557265438 /nfs/dbraw/zinc/26/54/38/557265438.db2.gz ZZVOYKBAXOPYPP-UHFFFAOYSA-N -1 1 419.502 5.100 50 0 HKAAMM CCOc1ccc2nc([N-]c3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2c1 ZINC000001459772 557268176 /nfs/dbraw/zinc/26/81/76/557268176.db2.gz JQMOZZCFDRGHHN-UHFFFAOYSA-N -1 1 411.509 5.416 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000001472333 568995186 /nfs/dbraw/zinc/99/51/86/568995186.db2.gz QRSVKJNYPQYCSJ-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM Cc1ccnc(Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001501383 557270500 /nfs/dbraw/zinc/27/05/00/557270500.db2.gz ATFOUTZAPSYPGR-UHFFFAOYSA-N -1 1 413.568 5.035 50 0 HKAAMM CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000001508083 569007015 /nfs/dbraw/zinc/00/70/15/569007015.db2.gz OCTPFJXBYJBJGY-OAHLLOKOSA-N -1 1 407.948 5.206 50 0 HKAAMM CC1(C)SC(=S)N(c2ccccc2)[C@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000001508091 569007032 /nfs/dbraw/zinc/00/70/32/569007032.db2.gz OCTPFJXBYJBJGY-HNNXBMFYSA-N -1 1 407.948 5.206 50 0 HKAAMM CC[C@@H](C)N1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001514546 569009940 /nfs/dbraw/zinc/00/99/40/569009940.db2.gz RHGBDRCXORJNQS-RNCFNFMXSA-N -1 1 422.403 5.453 50 0 HKAAMM CC[C@H](C)N1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001514550 569009957 /nfs/dbraw/zinc/00/99/57/569009957.db2.gz RHGBDRCXORJNQS-ZANVPECISA-N -1 1 422.403 5.453 50 0 HKAAMM CC[C@@H](C)N1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001514553 569009948 /nfs/dbraw/zinc/00/99/48/569009948.db2.gz RHGBDRCXORJNQS-NOZJJQNGSA-N -1 1 422.403 5.453 50 0 HKAAMM CC[C@H](C)N1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001514555 569009943 /nfs/dbraw/zinc/00/99/43/569009943.db2.gz RHGBDRCXORJNQS-TVQRCGJNSA-N -1 1 422.403 5.453 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3[O-])nc2c1 ZINC000001517971 569011538 /nfs/dbraw/zinc/01/15/38/569011538.db2.gz VEODDRCGFMOMFP-UHFFFAOYSA-N -1 1 413.227 5.117 50 0 HKAAMM Cc1ccc(C)c(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000001622429 557276852 /nfs/dbraw/zinc/27/68/52/557276852.db2.gz IRAMVOUQVQWORO-MRXNPFEDSA-N -1 1 422.337 5.049 50 0 HKAAMM [O-]c1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)ccc2O)c1O ZINC000001679491 557280133 /nfs/dbraw/zinc/28/01/33/557280133.db2.gz FXHQZEJEBWTOJA-UHFFFAOYSA-N -1 1 409.696 5.945 50 0 in-vitro HKAAMM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3c2C(=O)C1 ZINC000001773921 569052467 /nfs/dbraw/zinc/05/24/67/569052467.db2.gz ZKVSWJOCEKWGGH-UHFFFAOYSA-N -1 1 419.502 5.542 50 0 HKAAMM CCCCCCc1cc2cc(-c3cn4c5ccccc5sc4n3)c(=O)oc2cc1[O-] ZINC000001862464 569056739 /nfs/dbraw/zinc/05/67/39/569056739.db2.gz KBGBYBXZSALCJS-UHFFFAOYSA-N -1 1 418.518 6.151 50 0 HKAAMM O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cc(Cl)ccc1[O-] ZINC000001878566 557294007 /nfs/dbraw/zinc/29/40/07/557294007.db2.gz PUEMRWLJYPYWML-UHFFFAOYSA-N -1 1 411.455 5.460 50 0 HKAAMM CCc1nnc([N-]C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)s1 ZINC000001883503 569056991 /nfs/dbraw/zinc/05/69/91/569056991.db2.gz QERDWSLYGBNWCS-UHFFFAOYSA-N -1 1 405.521 5.620 50 0 HKAAMM COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3cc(Cl)ccc3[O-])c2)cc1 ZINC000001890660 569057037 /nfs/dbraw/zinc/05/70/37/569057037.db2.gz GABKGYMZHFOWAA-UHFFFAOYSA-N -1 1 417.892 6.459 50 0 HKAAMM CCCCCCc1cc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2cc1[O-] ZINC000002026498 569066808 /nfs/dbraw/zinc/06/68/08/569066808.db2.gz ARIFNKLOEVCFRE-UHFFFAOYSA-N -1 1 420.534 6.489 50 0 biogenic HKAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000002051805 557301392 /nfs/dbraw/zinc/30/13/92/557301392.db2.gz ZJLHDTVSYIBMCY-UHFFFAOYSA-N -1 1 400.503 5.768 50 0 HKAAMM CCOC(=O)c1c(Cc2ccccc2)cc(-c2ccccc2)c(C(=O)OCC)c1[O-] ZINC000002057589 569072441 /nfs/dbraw/zinc/07/24/41/569072441.db2.gz STPZPMFMKSCROX-UHFFFAOYSA-N -1 1 404.462 5.003 50 0 HKAAMM CCc1ccc2oc(-c3cc(NC(=O)c4cccc5ccccc54)ccc3[O-])nc2c1 ZINC000002062657 569073549 /nfs/dbraw/zinc/07/35/49/569073549.db2.gz DKARUBXSAXEVFO-UHFFFAOYSA-N -1 1 408.457 6.168 50 0 HKAAMM CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1[O-] ZINC000002063624 557305048 /nfs/dbraw/zinc/30/50/48/557305048.db2.gz SXFDECITGNWXBY-UHFFFAOYSA-N -1 1 424.884 5.992 50 0 biogenic HKAAMM CCCCCCc1cc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2cc1[O-] ZINC000002066694 557305888 /nfs/dbraw/zinc/30/58/88/557305888.db2.gz VYSHEXGEQDXRJB-UHFFFAOYSA-N -1 1 405.519 6.412 50 0 biogenic HKAAMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000002086128 557311475 /nfs/dbraw/zinc/31/14/75/557311475.db2.gz BOHIFEZLMALNAQ-UHFFFAOYSA-N -1 1 406.551 5.913 50 0 HKAAMM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000002167740 568845992 /nfs/dbraw/zinc/84/59/92/568845992.db2.gz RPWHVHADRPHPLX-UHFFFAOYSA-N -1 1 404.285 5.042 50 0 HKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)cc1 ZINC000002184785 557323947 /nfs/dbraw/zinc/32/39/47/557323947.db2.gz VXHMMWWSNNDXPJ-UHFFFAOYSA-N -1 1 421.518 5.664 50 0 HKAAMM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc21 ZINC000002184862 557323941 /nfs/dbraw/zinc/32/39/41/557323941.db2.gz QFIHXOPYGNGDNR-UHFFFAOYSA-N -1 1 421.518 5.823 50 0 HKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccccc3Cl)cc2[O-])n1 ZINC000002200435 569295451 /nfs/dbraw/zinc/29/54/51/569295451.db2.gz DHTXJNOOWWYHIE-UHFFFAOYSA-N -1 1 403.869 5.331 50 0 HKAAMM CCOc1cc(-c2n[n-]c(=S)n2CCc2ccccc2)cc(OCC)c1OCC ZINC000002221201 569312970 /nfs/dbraw/zinc/31/29/70/569312970.db2.gz KWCBZALJGIRASY-UHFFFAOYSA-N -1 1 413.543 5.046 50 0 HKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3)cc2[O-])n1 ZINC000002226310 569315279 /nfs/dbraw/zinc/31/52/79/569315279.db2.gz BRNLNDYPELELRX-UHFFFAOYSA-N -1 1 403.869 5.331 50 0 HKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2cc1[O-] ZINC000002239907 569322794 /nfs/dbraw/zinc/32/27/94/569322794.db2.gz GFWPNAANXOIFAX-UHFFFAOYSA-N -1 1 405.519 6.412 50 0 biogenic HKAAMM CC(C)(C)c1cc(C(C)(C)C)c(O)c2oc(-c3cc(Br)ccc3[O-])nc21 ZINC000002267434 569325769 /nfs/dbraw/zinc/32/57/69/569325769.db2.gz YIXJQHMTRQVCNC-UHFFFAOYSA-N -1 1 418.331 6.264 50 0 HKAAMM [O-]c1ccc(Cl)cc1-c1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 ZINC000002267500 569325855 /nfs/dbraw/zinc/32/58/55/569325855.db2.gz ILTHJIHDGKAKAX-UHFFFAOYSA-N -1 1 401.849 6.170 50 0 HKAAMM CN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(Cl)ccc3[O-])c2)cc1 ZINC000002268198 569326001 /nfs/dbraw/zinc/32/60/01/569326001.db2.gz DHIQVXUIMGSCHK-UHFFFAOYSA-N -1 1 400.909 6.508 50 0 HKAAMM CCCCCn1c([O-])c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 ZINC000002275457 569327736 /nfs/dbraw/zinc/32/77/36/569327736.db2.gz DVKLFDWCPPOFQU-UHFFFAOYSA-N -1 1 419.308 5.456 50 0 HKAAMM CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1[O-] ZINC000002275739 569327856 /nfs/dbraw/zinc/32/78/56/569327856.db2.gz FHBSECGYODKAAK-UHFFFAOYSA-N -1 1 406.438 5.044 50 0 HKAAMM CCCCn1c([O-])c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 ZINC000002291190 569369143 /nfs/dbraw/zinc/36/91/43/569369143.db2.gz JMEFEWNZYRREML-UHFFFAOYSA-N -1 1 405.281 5.066 50 0 HKAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1sc2ccccc2c1Cl ZINC000002315798 557692668 /nfs/dbraw/zinc/69/26/68/557692668.db2.gz FQFDQIILKSSWOQ-UHFFFAOYSA-N -1 1 420.877 6.321 50 0 HKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])n1 ZINC000002328132 569375479 /nfs/dbraw/zinc/37/54/79/569375479.db2.gz RPCBRFDUSCLSAE-UHFFFAOYSA-N -1 1 421.859 5.470 50 0 HKAAMM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Br)ccc1[O-] ZINC000002332702 569375929 /nfs/dbraw/zinc/37/59/29/569375929.db2.gz MGUHHAOEKWXVHR-UHFFFAOYSA-N -1 1 409.692 5.184 50 0 HKAAMM CCOC(=O)c1c(-c2ccc(C)cc2)csc1[N-]c1nc2ccccc2nc1Cl ZINC000002332965 557694494 /nfs/dbraw/zinc/69/44/94/557694494.db2.gz RMZCYMUXPFZCHB-UHFFFAOYSA-N -1 1 423.925 6.240 50 0 HKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])n1 ZINC000002338343 569376126 /nfs/dbraw/zinc/37/61/26/569376126.db2.gz FZWDYPREYBVEBF-UHFFFAOYSA-N -1 1 403.869 5.331 50 0 HKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000002344084 569376501 /nfs/dbraw/zinc/37/65/01/569376501.db2.gz CGOPCBWAOFNWEJ-UHFFFAOYSA-N -1 1 400.434 5.229 50 0 HKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(F)cc3)cc2[O-])n1 ZINC000002354638 569385251 /nfs/dbraw/zinc/38/52/51/569385251.db2.gz PYWPBMVSQPVRDH-UHFFFAOYSA-N -1 1 421.859 5.470 50 0 HKAAMM O=C([O-])c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000002356321 569385322 /nfs/dbraw/zinc/38/53/22/569385322.db2.gz CIEJUZWMPUGXEJ-UHFFFAOYSA-N -1 1 409.272 6.416 50 0 HKAAMM CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000002359595 569385693 /nfs/dbraw/zinc/38/56/93/569385693.db2.gz ITNNADPRVNVOJZ-UHFFFAOYSA-N -1 1 409.795 5.169 50 0 HKAAMM CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c([O-])cc21 ZINC000002361535 569387196 /nfs/dbraw/zinc/38/71/96/569387196.db2.gz YUJYDACLKNUOQO-UHFFFAOYSA-N -1 1 407.285 5.370 50 0 HKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])n1 ZINC000002364622 569387787 /nfs/dbraw/zinc/38/77/87/569387787.db2.gz KVANSCLVQOMLQM-UHFFFAOYSA-N -1 1 403.869 5.331 50 0 HKAAMM Cc1cccc(Cn2nc(C(C)(C)C)cc2-c2n[n-]c(=S)n2C2CCCCC2)c1 ZINC000002381252 557342311 /nfs/dbraw/zinc/34/23/11/557342311.db2.gz RUYPFKGTGDETPS-UHFFFAOYSA-N -1 1 409.603 5.964 50 0 HKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3)cc2[O-])cc1OC ZINC000002398716 569394712 /nfs/dbraw/zinc/39/47/12/569394712.db2.gz USUFTJQAIVGPDJ-UHFFFAOYSA-N -1 1 414.461 5.112 50 0 HKAAMM [O-]c1ccc(Cl)cc1-c1cc(-c2ccccc2)cc(-c2cccc3ccccc32)n1 ZINC000002403037 569395776 /nfs/dbraw/zinc/39/57/76/569395776.db2.gz VWTCXICSSRSPOY-UHFFFAOYSA-N -1 1 407.900 7.595 50 0 HKAAMM Cc1cc2c3oc(=O)sc3c(-c3ccc(Br)cc3)c([O-])c2cc1C ZINC000002418465 569397603 /nfs/dbraw/zinc/39/76/03/569397603.db2.gz ARWDSIYWSWPWAZ-UHFFFAOYSA-N -1 1 401.281 5.760 50 0 HKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3F)cc2[O-])cc1 ZINC000002423124 569398319 /nfs/dbraw/zinc/39/83/19/569398319.db2.gz GXOCBOFQXZSRTD-UHFFFAOYSA-N -1 1 418.424 5.368 50 0 HKAAMM Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c([O-])c2)cc1 ZINC000002441261 569400849 /nfs/dbraw/zinc/40/08/49/569400849.db2.gz UUAZYHNSNQMGAN-UHFFFAOYSA-N -1 1 417.896 5.639 50 0 HKAAMM Cc1cccc2c(C)nc(Nc3nc(C)c(Cc4cccc5ccccc54)c(=O)[n-]3)nc12 ZINC000002441690 557347871 /nfs/dbraw/zinc/34/78/71/557347871.db2.gz PSTIBKPAHDGSSM-UHFFFAOYSA-N -1 1 421.504 5.126 50 0 HKAAMM CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000002480681 557351446 /nfs/dbraw/zinc/35/14/46/557351446.db2.gz PKMIUGOLSIZKCR-UHFFFAOYSA-N -1 1 419.474 5.028 50 0 HKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(oc4c3C(=O)CCC4)c3ccccc23)c1 ZINC000002483515 557351694 /nfs/dbraw/zinc/35/16/94/557351694.db2.gz PKOVNRJEOMIYHZ-UHFFFAOYSA-N -1 1 419.502 5.523 50 0 HKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)OC(C)C ZINC000002484243 568775113 /nfs/dbraw/zinc/77/51/13/568775113.db2.gz QOZLKKDCSATISH-UHFFFAOYSA-N -1 1 423.490 5.260 50 0 HKAAMM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc34)c21 ZINC000002494776 557352610 /nfs/dbraw/zinc/35/26/10/557352610.db2.gz ABAMYNWKZNNOLF-UHFFFAOYSA-N -1 1 409.438 5.045 50 0 HKAAMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)ccc1Cl ZINC000002497193 568776315 /nfs/dbraw/zinc/77/63/15/568776315.db2.gz PZFPQRJBJVJXMA-UHFFFAOYSA-N -1 1 417.914 5.351 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)cc1 ZINC000002497226 557352602 /nfs/dbraw/zinc/35/26/02/557352602.db2.gz FFVNHLBXWDXVIO-UHFFFAOYSA-N -1 1 407.491 5.274 50 0 HKAAMM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000002502131 568777323 /nfs/dbraw/zinc/77/73/23/568777323.db2.gz YYWJURUHIZHVIV-UHFFFAOYSA-N -1 1 421.902 5.152 50 0 HKAAMM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc21 ZINC000002502132 557353120 /nfs/dbraw/zinc/35/31/20/557353120.db2.gz FLQKLKXLTFSOSE-UHFFFAOYSA-N -1 1 415.511 5.061 50 0 HKAAMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2s1 ZINC000002502410 568777362 /nfs/dbraw/zinc/77/73/62/568777362.db2.gz JZMFEHSLZPIZBB-UHFFFAOYSA-N -1 1 406.838 5.078 50 0 HKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3cccc4ccccc43)cc2c1C(=O)OC(C)C ZINC000002503435 557353414 /nfs/dbraw/zinc/35/34/14/557353414.db2.gz QNPHLWWMBLLXFD-UHFFFAOYSA-N -1 1 423.490 5.260 50 0 HKAAMM COc1ccccc1NC(=O)c1cc(Br)cc(Cc2ccccc2)c1[O-] ZINC000002506196 557353421 /nfs/dbraw/zinc/35/34/21/557353421.db2.gz RLYWYFXEAQIVHB-UHFFFAOYSA-N -1 1 412.283 5.006 50 0 HKAAMM CCOC(=O)c1c(-c2ccccc2)csc1[N-]c1nc2ccccc2nc1Cl ZINC000002634426 568791674 /nfs/dbraw/zinc/79/16/74/568791674.db2.gz DVVSDAJIKBSMIB-UHFFFAOYSA-N -1 1 409.898 5.932 50 0 HKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000002636000 568792217 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CCCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000004735826 559035009 /nfs/dbraw/zinc/03/50/09/559035009.db2.gz ZEKJKPLTXSFHKF-UHFFFAOYSA-N -1 1 415.511 5.116 50 0 HKAAMM Cc1ccc2nc(Nc3nc(C)c(Cc4ccc(C(C)C)cc4)c(=O)[n-]3)nc(C)c2c1 ZINC000004737087 557589464 /nfs/dbraw/zinc/58/94/64/557589464.db2.gz ZNCKFLOEGGBPOS-UHFFFAOYSA-N -1 1 413.525 5.096 50 0 HKAAMM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)S1 ZINC000004739892 559043228 /nfs/dbraw/zinc/04/32/28/559043228.db2.gz JWTUPBOIUAJJMU-HMAPJEAMSA-N -1 1 417.486 5.169 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000004757077 557594569 /nfs/dbraw/zinc/59/45/69/557594569.db2.gz JKSNEJYEOBXBLR-UHFFFAOYSA-N -1 1 422.550 5.480 50 0 HKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCCC1 ZINC000004795181 559066288 /nfs/dbraw/zinc/06/62/88/559066288.db2.gz CMKKVPGWDBSNHR-NRFANRHFSA-N -1 1 422.529 5.289 50 0 HKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCCC1 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CCCCCCc1cc2cc(-c3nnc(-c4cccc(OC)c4)o3)c(=O)oc2cc1[O-] ZINC000004903751 559200277 /nfs/dbraw/zinc/20/02/77/559200277.db2.gz WWZOBBKMEWHUFL-UHFFFAOYSA-N -1 1 420.465 5.347 50 0 HKAAMM Cc1cc(C)n2c(nc(-c3ccc(Br)cc3[O-])c2Nc2ccccc2)n1 ZINC000004903847 559200233 /nfs/dbraw/zinc/20/02/33/559200233.db2.gz TYOXQJGXFYBCRV-UHFFFAOYSA-N -1 1 409.287 5.225 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2ccccc21 ZINC000004906758 557611932 /nfs/dbraw/zinc/61/19/32/557611932.db2.gz RKKOJUYGTPUAML-UHFFFAOYSA-N -1 1 414.848 6.259 50 0 HKAAMM CCCCCCc1cc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2cc1[O-] ZINC000004936790 559211849 /nfs/dbraw/zinc/21/18/49/559211849.db2.gz UEPOZDIDRCLCQP-UHFFFAOYSA-N -1 1 420.914 5.108 50 0 HKAAMM CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000004980322 557620039 /nfs/dbraw/zinc/62/00/39/557620039.db2.gz NNQBIAMJAYKGFC-UHFFFAOYSA-N -1 1 408.523 5.037 50 0 HKAAMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2oc3ccccc3c2c1 ZINC000005003330 557624182 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559292219 /nfs/dbraw/zinc/29/22/19/559292219.db2.gz OKVOTHAOVOEQQM-UHFFFAOYSA-N -1 1 408.841 5.423 50 0 HKAAMM CC(C)(C)c1ccc(OCC(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000005201049 560537793 /nfs/dbraw/zinc/53/77/93/560537793.db2.gz YWLBOSXPPFHBLA-UHFFFAOYSA-N -1 1 416.477 5.515 50 0 HKAAMM C/C(C=NNC(=O)c1cc(Br)ccc1[O-])=C/c1ccc(C(C)C)cc1 ZINC000005206361 560539539 /nfs/dbraw/zinc/53/95/39/560539539.db2.gz DHVMBQGEIXCUOV-UHXXLRDVSA-N -1 1 401.304 5.097 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CCCC4)c(C)c1 ZINC000005214458 560542809 /nfs/dbraw/zinc/54/28/09/560542809.db2.gz XVXGFCUJURWZDB-UHFFFAOYSA-N -1 1 405.519 5.882 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)c(C)c1 ZINC000005214460 560542796 /nfs/dbraw/zinc/54/27/96/560542796.db2.gz QCNCIVKRVKOLDC-MRXNPFEDSA-N -1 1 419.546 6.128 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)c(C)c1 ZINC000005214461 560542820 /nfs/dbraw/zinc/54/28/20/560542820.db2.gz QCNCIVKRVKOLDC-INIZCTEOSA-N -1 1 419.546 6.128 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)cc1 ZINC000005214462 560542861 /nfs/dbraw/zinc/54/28/61/560542861.db2.gz DDMVUGFGNZXGMM-MRXNPFEDSA-N -1 1 405.519 5.820 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)cc1 ZINC000005214463 560542898 /nfs/dbraw/zinc/54/28/98/560542898.db2.gz DDMVUGFGNZXGMM-INIZCTEOSA-N -1 1 405.519 5.820 50 0 HKAAMM C[C@@H]1CCc2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc4c3oc2C1 ZINC000005214464 560542894 /nfs/dbraw/zinc/54/28/94/560542894.db2.gz HEUWPOQJZDZZEA-CQSZACIVSA-N -1 1 409.482 5.651 50 0 HKAAMM C[C@H]1CCc2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)c4ccccc4c3oc2C1 ZINC000005214465 560542918 /nfs/dbraw/zinc/54/29/18/560542918.db2.gz HEUWPOQJZDZZEA-AWEZNQCLSA-N -1 1 409.482 5.651 50 0 HKAAMM CCCCCN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000005249337 560549193 /nfs/dbraw/zinc/54/91/93/560549193.db2.gz DBPPDBBRXOWFSO-HXUWFJFHSA-N -1 1 410.518 5.147 50 0 HKAAMM CCCCCN1C(=O)N(c2ccccc2)[C@@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000005249339 560549171 /nfs/dbraw/zinc/54/91/71/560549171.db2.gz DBPPDBBRXOWFSO-FQEVSTJZSA-N -1 1 410.518 5.147 50 0 HKAAMM C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccc(OC)cc3)c([O-])c2)cc1 ZINC000005353028 560569278 /nfs/dbraw/zinc/56/92/78/560569278.db2.gz AIODOJXBSWHRMI-UHFFFAOYSA-N -1 1 410.473 5.747 50 0 HKAAMM Cc1nc(N)nc(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])c1-c1ccccc1 ZINC000005354296 560569356 /nfs/dbraw/zinc/56/93/56/560569356.db2.gz XPXLQUBGKZUNDM-UHFFFAOYSA-N -1 1 417.896 5.639 50 0 HKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c1-c1ccccc1 ZINC000005389370 560580360 /nfs/dbraw/zinc/58/03/60/560580360.db2.gz FOZRCQOEZUITOE-UHFFFAOYSA-N -1 1 417.896 5.639 50 0 HKAAMM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000005447810 560589074 /nfs/dbraw/zinc/58/90/74/560589074.db2.gz ZRRJYNQLHWEORS-MRXNPFEDSA-N -1 1 412.342 5.175 50 0 HKAAMM Cc1ccc(C)c(COc2ccc(-c3ncncc3-c3ccc(Cl)cc3)c([O-])c2)c1 ZINC000005451007 560590227 /nfs/dbraw/zinc/59/02/27/560590227.db2.gz JIFMYBRKOOJMBO-UHFFFAOYSA-N -1 1 416.908 6.365 50 0 HKAAMM Cc1ccccc1COc1ccc(-c2ncncc2-c2ccc(Cl)cc2)c([O-])c1 ZINC000005451009 560590224 /nfs/dbraw/zinc/59/02/24/560590224.db2.gz QZACZYFRHBHSGG-UHFFFAOYSA-N -1 1 402.881 6.057 50 0 HKAAMM [O-]c1cc(OCc2ccccc2F)ccc1-c1ncncc1-c1ccc(Cl)cc1 ZINC000005451044 560590166 /nfs/dbraw/zinc/59/01/66/560590166.db2.gz NKRPOWJSPFIQPH-UHFFFAOYSA-N -1 1 406.844 5.888 50 0 HKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3Cl)cc2[O-])cc1 ZINC000005451391 560590418 /nfs/dbraw/zinc/59/04/18/560590418.db2.gz UYFQBCLVEAXHPJ-UHFFFAOYSA-N -1 1 418.880 5.757 50 0 HKAAMM Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c([O-])c1 ZINC000005451894 560589245 /nfs/dbraw/zinc/58/92/45/560589245.db2.gz VNMAVQOVMHQEAC-UHFFFAOYSA-N -1 1 417.896 5.639 50 0 HKAAMM CCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1 ZINC000005471615 560593241 /nfs/dbraw/zinc/59/32/41/560593241.db2.gz NYANQCJQNSYBGQ-UHFFFAOYSA-N -1 1 402.450 5.414 50 0 HKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3ccc(F)cc3)cc2[O-])cc1 ZINC000005483136 560596460 /nfs/dbraw/zinc/59/64/60/560596460.db2.gz ZLQYGNIZTLJXJY-UHFFFAOYSA-N -1 1 418.424 5.368 50 0 HKAAMM COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2[O-])cc1 ZINC000005484338 560596863 /nfs/dbraw/zinc/59/68/63/560596863.db2.gz FCBRLJPHQNQBQM-UHFFFAOYSA-N -1 1 412.489 5.721 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c(C)c1 ZINC000005516276 560604293 /nfs/dbraw/zinc/60/42/93/560604293.db2.gz KUAFDYRCPVDPOT-INIZCTEOSA-N -1 1 419.546 6.128 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c(C)c1 ZINC000005516278 560604325 /nfs/dbraw/zinc/60/43/25/560604325.db2.gz KUAFDYRCPVDPOT-MRXNPFEDSA-N -1 1 419.546 6.128 50 0 HKAAMM O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Cl)cc3Cl)cc([O-])c12 ZINC000005554610 557661553 /nfs/dbraw/zinc/66/15/53/557661553.db2.gz IUELOHMKJLAZTK-UHFFFAOYSA-N -1 1 413.256 6.051 50 0 biogenic HKAAMM O=c1cc(OCc2ccc(Cl)c(Cl)c2)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000005554611 557661638 /nfs/dbraw/zinc/66/16/38/557661638.db2.gz ZNJXTBRQOAHYLB-UHFFFAOYSA-N -1 1 413.256 6.051 50 0 biogenic HKAAMM O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Cl)c(Cl)c3)cc([O-])c12 ZINC000005554611 557661641 /nfs/dbraw/zinc/66/16/41/557661641.db2.gz ZNJXTBRQOAHYLB-UHFFFAOYSA-N -1 1 413.256 6.051 50 0 biogenic HKAAMM O=c1cc(-c2ccccc2)oc2cc(OCc3c(Cl)cccc3Cl)cc([O-])c12 ZINC000005554614 560608952 /nfs/dbraw/zinc/60/89/52/560608952.db2.gz UBHKFFORZLPZED-UHFFFAOYSA-N -1 1 413.256 6.051 50 0 biogenic HKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000005557447 560613549 /nfs/dbraw/zinc/61/35/49/560613549.db2.gz HDHQVIBXWITYKN-UHFFFAOYSA-N -1 1 400.434 5.229 50 0 HKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005561814 560618346 /nfs/dbraw/zinc/61/83/46/560618346.db2.gz IHNRCQANXLCPRO-UHFFFAOYSA-N -1 1 402.425 5.243 50 0 HKAAMM COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2F)cc1[O-] ZINC000005561967 560618371 /nfs/dbraw/zinc/61/83/71/560618371.db2.gz ZHBQHGWVIPGGFV-UHFFFAOYSA-N -1 1 418.424 5.368 50 0 HKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(F)cc2)cc1[O-] ZINC000005562541 560618614 /nfs/dbraw/zinc/61/86/14/560618614.db2.gz ROTBGKWIUKPFSZ-UHFFFAOYSA-N -1 1 402.425 5.243 50 0 HKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccccc3F)cc2[O-])c1-c1ccccc1 ZINC000005562803 560618861 /nfs/dbraw/zinc/61/88/61/560618861.db2.gz RAFUHUJCVOKZQZ-UHFFFAOYSA-N -1 1 401.441 5.125 50 0 HKAAMM COc1cccc(Oc2cncnc2-c2ccc(OCc3ccccc3)cc2[O-])c1 ZINC000005575375 560623488 /nfs/dbraw/zinc/62/34/88/560623488.db2.gz ZXLKFSJQCRUTOH-UHFFFAOYSA-N -1 1 400.434 5.229 50 0 HKAAMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3)nc2c1 ZINC000005579447 560624355 /nfs/dbraw/zinc/62/43/55/560624355.db2.gz NVHJENALFDPWER-UHFFFAOYSA-N -1 1 413.502 5.264 50 0 HKAAMM Cc1ccc(C)c(Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 ZINC000005616093 557665527 /nfs/dbraw/zinc/66/55/27/557665527.db2.gz IRAMVOUQVQWORO-INIZCTEOSA-N -1 1 422.337 5.049 50 0 HKAAMM Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000005677995 557668378 /nfs/dbraw/zinc/66/83/78/557668378.db2.gz IVHJEXQJXNUPEC-UHFFFAOYSA-N -1 1 400.909 6.805 50 0 HKAAMM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1ccc(C2CCCCC2)cc1 ZINC000005681645 560781426 /nfs/dbraw/zinc/78/14/26/560781426.db2.gz GNNRSHABNGIMEE-UHFFFAOYSA-N -1 1 405.519 6.435 50 0 HKAAMM O=C(Nc1c(Cl)cccc1Cl)c1cc(Cl)cc(Cc2ccccc2)c1[O-] ZINC000005737222 557671755 /nfs/dbraw/zinc/67/17/55/557671755.db2.gz YAWPFADIPNNFMD-UHFFFAOYSA-N -1 1 406.696 6.196 50 0 HKAAMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c([O-])c1 ZINC000005768480 568455079 /nfs/dbraw/zinc/45/50/79/568455079.db2.gz RSKZPMGZSXDDGC-UHFFFAOYSA-N -1 1 413.260 5.688 50 0 HKAAMM CC(C)CCn1c(C(=O)c2cc(-c3ccccc3)nc3ccccc32)n[n-]c1=S ZINC000005858795 568826114 /nfs/dbraw/zinc/82/61/14/568826114.db2.gz ADJOZUUZJNMJQJ-UHFFFAOYSA-N -1 1 402.523 5.059 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2C)c(C)c1 ZINC000005882155 568828150 /nfs/dbraw/zinc/82/81/50/568828150.db2.gz VTPNPHZKZZXTSB-UHFFFAOYSA-N -1 1 409.511 5.057 50 0 HKAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)c1ccc(Cl)cc1 ZINC000005999719 569060974 /nfs/dbraw/zinc/06/09/74/569060974.db2.gz NYRYUQAORGGBLL-UHFFFAOYSA-N -1 1 406.821 5.081 50 0 biogenic HKAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc(Cl)cc1 ZINC000005999719 569060975 /nfs/dbraw/zinc/06/09/75/569060975.db2.gz NYRYUQAORGGBLL-UHFFFAOYSA-N -1 1 406.821 5.081 50 0 biogenic HKAAMM S=c1[n-]nc2c3c(nc(Cc4ccccc4)n12)-c1ccccc1CC31CCCCC1 ZINC000006111870 557687150 /nfs/dbraw/zinc/68/71/50/557687150.db2.gz GJSASVBQBVWUOS-UHFFFAOYSA-N -1 1 412.562 5.429 50 0 HKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)Nc1ccccc1 ZINC000006146739 559031926 /nfs/dbraw/zinc/03/19/26/559031926.db2.gz GPDHDYBOIGMOKL-UHFFFAOYSA-N -1 1 420.490 5.103 50 0 HKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000006147229 569014656 /nfs/dbraw/zinc/01/46/56/569014656.db2.gz PCDQSZXZGKGTEM-UHFFFAOYSA-N -1 1 421.305 5.047 50 0 HKAAMM CC(C)(C)c1ccc(COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000006169458 557692608 /nfs/dbraw/zinc/69/26/08/557692608.db2.gz LPOLQXXVOAVOEO-UHFFFAOYSA-N -1 1 400.474 6.042 50 0 biogenic HKAAMM O=S(=O)([N-]c1cccc(-c2cn3ccsc3n2)c1)c1ccc2ccccc2c1 ZINC000006181570 557693059 /nfs/dbraw/zinc/69/30/59/557693059.db2.gz BENYGQIDZPTZKT-UHFFFAOYSA-N -1 1 405.504 5.017 50 0 HKAAMM CC(C)(C)c1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000006186879 569029469 /nfs/dbraw/zinc/02/94/69/569029469.db2.gz PDBRILXUDWJNEB-UHFFFAOYSA-N -1 1 418.518 5.306 50 0 HKAAMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006266816 557696993 /nfs/dbraw/zinc/69/69/93/557696993.db2.gz ZLUNFBQPDIPWFK-UHFFFAOYSA-N -1 1 422.550 5.391 50 0 HKAAMM CCCCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000006266834 557697022 /nfs/dbraw/zinc/69/70/22/557697022.db2.gz OSDJISAMPWIARD-UHFFFAOYSA-N -1 1 408.523 5.082 50 0 HKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccc(C)cc2)s1 ZINC000006438790 569050755 /nfs/dbraw/zinc/05/07/55/569050755.db2.gz JLCAJJDDYMKXKL-UHFFFAOYSA-N -1 1 410.886 5.383 50 0 HKAAMM O=c1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC000006448773 569053045 /nfs/dbraw/zinc/05/30/45/569053045.db2.gz OTHXMKBPYUZHFL-UHFFFAOYSA-N -1 1 409.363 5.661 50 0 HKAAMM O=c1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000006448774 569053041 /nfs/dbraw/zinc/05/30/41/569053041.db2.gz ATZWTFVIKCKYTC-UHFFFAOYSA-N -1 1 409.363 5.661 50 0 HKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2cccc(C)c2)s1 ZINC000006479040 569059272 /nfs/dbraw/zinc/05/92/72/569059272.db2.gz YOXDSMMBQIVQPE-UHFFFAOYSA-N -1 1 410.886 5.383 50 0 HKAAMM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc2oc3ccccc3c2c1 ZINC000006481550 557704741 /nfs/dbraw/zinc/70/47/41/557704741.db2.gz XNAVULYKUJJCFJ-UHFFFAOYSA-N -1 1 414.486 5.373 50 0 HKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(-c2ccc(F)cc2)s1 ZINC000006529846 569063418 /nfs/dbraw/zinc/06/34/18/569063418.db2.gz BCKLSVBCMWGATI-UHFFFAOYSA-N -1 1 414.849 5.213 50 0 HKAAMM Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000006541469 569064720 /nfs/dbraw/zinc/06/47/20/569064720.db2.gz SXGUYINVTNEICO-UHFFFAOYSA-N -1 1 415.902 5.093 50 0 HKAAMM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000006549400 569064870 /nfs/dbraw/zinc/06/48/70/569064870.db2.gz SHXHNIYCXPEWLO-UHFFFAOYSA-N -1 1 402.633 5.049 50 0 HKAAMM Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000006602558 569069918 /nfs/dbraw/zinc/06/99/18/569069918.db2.gz DTXPFBCVNCJZIH-UHFFFAOYSA-N -1 1 415.902 5.093 50 0 HKAAMM [O-]c1cc(OCc2ccc(F)cc2Cl)ccc1-c1ncncc1-c1ccccc1 ZINC000006662191 569085449 /nfs/dbraw/zinc/08/54/49/569085449.db2.gz NEGDRHDFCRIETB-UHFFFAOYSA-N -1 1 406.844 5.888 50 0 HKAAMM [O-]c1cc(OCc2cccc3ccccc32)ccc1-c1ncncc1-c1ccccc1 ZINC000006670349 569086722 /nfs/dbraw/zinc/08/67/22/569086722.db2.gz AGERMCJOQCEALD-UHFFFAOYSA-N -1 1 404.469 6.248 50 0 HKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2cccc(Cl)c2)cc1[O-] ZINC000006719467 569097709 /nfs/dbraw/zinc/09/77/09/569097709.db2.gz PPBBFHZZHOEKKX-UHFFFAOYSA-N -1 1 418.880 5.757 50 0 HKAAMM C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3OC)c([O-])c2)cc1 ZINC000006719518 569097876 /nfs/dbraw/zinc/09/78/76/569097876.db2.gz OXNSFYKBZHQCAX-UHFFFAOYSA-N -1 1 410.473 5.747 50 0 HKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2ccccc2Cl)cc1[O-] ZINC000006719707 569097825 /nfs/dbraw/zinc/09/78/25/569097825.db2.gz YPUSMTVMOPGCCS-UHFFFAOYSA-N -1 1 418.880 5.757 50 0 HKAAMM COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3C)cc2[O-])cc1 ZINC000006719977 569098007 /nfs/dbraw/zinc/09/80/07/569098007.db2.gz KXDYSLYNLVSJEK-UHFFFAOYSA-N -1 1 414.461 5.538 50 0 HKAAMM Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(Br)cc3)C2)c([O-])c1 ZINC000006720719 569098918 /nfs/dbraw/zinc/09/89/18/569098918.db2.gz VPNYLTAIYCZNJH-UHFFFAOYSA-N -1 1 405.295 6.108 50 0 HKAAMM COc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2-c2ccccc2)cc1OC ZINC000006720790 569098964 /nfs/dbraw/zinc/09/89/64/569098964.db2.gz ISUANZFFYUKITQ-UHFFFAOYSA-N -1 1 400.434 5.126 50 0 HKAAMM Cc1ccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nc2c1 ZINC000006748128 569108578 /nfs/dbraw/zinc/10/85/78/569108578.db2.gz GYMMSSRSRWBCLN-UHFFFAOYSA-N -1 1 411.914 5.072 50 0 aggregator HKAAMM Cc1cccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nc12 ZINC000006748129 569108517 /nfs/dbraw/zinc/10/85/17/569108517.db2.gz PNCASCGUTJEATL-UHFFFAOYSA-N -1 1 411.914 5.072 50 0 HKAAMM Cc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2cn3ccccc3n2)c1 ZINC000006748139 569108608 /nfs/dbraw/zinc/10/86/08/569108608.db2.gz CNZKEYAIAQYJLH-UHFFFAOYSA-N -1 1 405.523 5.234 50 0 HKAAMM O=c1[n-]c(-c2ccc(Br)cc2)nc2c1Cc1c(ccc3ccccc31)O2 ZINC000006748498 569108922 /nfs/dbraw/zinc/10/89/22/569108922.db2.gz WSHALZDWXDHVGU-UHFFFAOYSA-N -1 1 405.251 5.461 50 0 HKAAMM COc1ccccc1-c1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1[O-] ZINC000006756218 569112644 /nfs/dbraw/zinc/11/26/44/569112644.db2.gz ZOIHCACPLWJELN-UHFFFAOYSA-N -1 1 412.489 5.721 50 0 HKAAMM CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2)cc1[O-] ZINC000006756937 569113184 /nfs/dbraw/zinc/11/31/84/569113184.db2.gz DDGPQPFEQHMGKL-UHFFFAOYSA-N -1 1 414.461 5.619 50 0 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Cc1ccc(CNCc2c3ccc(C)cc3n(Cc3cccc(F)c3)c2C(=O)[O-])o1 ZINC000006901295 569177892 /nfs/dbraw/zinc/17/78/92/569177892.db2.gz ROINKYSOGZNQFY-UHFFFAOYSA-N -1 1 406.457 5.027 50 0 HKAAMM C=Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccco3)c2C(=O)[O-])cc1 ZINC000006901327 569177509 /nfs/dbraw/zinc/17/75/09/569177509.db2.gz HODVDNNMWXSWIF-UHFFFAOYSA-N -1 1 400.478 5.222 50 0 HKAAMM C=Cc1ccc(Cn2c3cc(C)ccc3c(CNCc3ccc(C)o3)c2C(=O)[O-])cc1 ZINC000006901338 569177521 /nfs/dbraw/zinc/17/75/21/569177521.db2.gz FCZUATWXWDKWRX-UHFFFAOYSA-N -1 1 414.505 5.530 50 0 HKAAMM C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007327923 569233714 /nfs/dbraw/zinc/23/37/14/569233714.db2.gz FAMKWGRPMSLOFH-HXUWFJFHSA-N -1 1 401.535 5.161 50 0 HKAAMM C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000007327924 569233667 /nfs/dbraw/zinc/23/36/67/569233667.db2.gz FAMKWGRPMSLOFH-FQEVSTJZSA-N -1 1 401.535 5.161 50 0 HKAAMM O=c1nc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 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ZINC000008586564 571083122 /nfs/dbraw/zinc/08/31/22/571083122.db2.gz IDDYRBZQUYZZMR-NRFANRHFSA-N -1 1 402.450 5.305 50 0 HKAAMM CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000008586565 571083115 /nfs/dbraw/zinc/08/31/15/571083115.db2.gz IDDYRBZQUYZZMR-OAQYLSRUSA-N -1 1 402.450 5.305 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1sc2ccccc2c1Cl ZINC000008589818 571085230 /nfs/dbraw/zinc/08/52/30/571085230.db2.gz VDQUVCSCUCXVOL-UHFFFAOYSA-N -1 1 420.877 6.321 50 0 HKAAMM CCOc1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008590756 571085540 /nfs/dbraw/zinc/08/55/40/571085540.db2.gz UAJABHSREIUHFZ-JOCHJYFZSA-N -1 1 419.481 5.426 50 0 aggregator HKAAMM CCOc1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 ZINC000008590756 571085544 /nfs/dbraw/zinc/08/55/44/571085544.db2.gz UAJABHSREIUHFZ-JOCHJYFZSA-N -1 1 419.481 5.426 50 0 aggregator HKAAMM CCOc1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000008590757 571085479 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O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 ZINC000008864665 571128966 /nfs/dbraw/zinc/12/89/66/571128966.db2.gz LAFPPOTZEVJENG-UHFFFAOYSA-N -1 1 400.912 5.418 50 0 HKAAMM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1ccc(Br)cc1)CCCC3 ZINC000008870299 571130150 /nfs/dbraw/zinc/13/01/50/571130150.db2.gz SBZDWXMIZWZQLV-UHFFFAOYSA-N -1 1 420.328 5.183 50 0 HKAAMM Cc1oc2cc(C)c([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC(C)C ZINC000008870336 571130245 /nfs/dbraw/zinc/13/02/45/571130245.db2.gz ICAPEJGRIJHOKB-UHFFFAOYSA-N -1 1 421.902 5.069 50 0 HKAAMM Cc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccc(Br)o2)cc1 ZINC000008917406 571153499 /nfs/dbraw/zinc/15/34/99/571153499.db2.gz WQRRJKWOPIAEDN-UHFFFAOYSA-N -1 1 424.250 5.580 50 0 HKAAMM O=c1cc(-c2ccccc2)nc(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)[n-]1 ZINC000008925891 571160002 /nfs/dbraw/zinc/16/00/02/571160002.db2.gz QHYVGGACGNVRFW-UHFFFAOYSA-N -1 1 423.497 5.509 50 0 HKAAMM Cc1c(CNCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cc(C)ccc1C ZINC000008932560 571163110 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402.563 5.796 50 0 HKAAMM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000009054096 571216687 /nfs/dbraw/zinc/21/66/87/571216687.db2.gz AEXJHHQSJFILFO-OAHLLOKOSA-N -1 1 402.450 5.630 50 0 HKAAMM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000009054098 571216666 /nfs/dbraw/zinc/21/66/66/571216666.db2.gz AEXJHHQSJFILFO-HNNXBMFYSA-N -1 1 402.450 5.630 50 0 HKAAMM COc1ccc(-c2nonc2[N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 ZINC000009129731 571227270 /nfs/dbraw/zinc/22/72/70/571227270.db2.gz GBRQRJMJGOZXJG-UHFFFAOYSA-N -1 1 420.277 5.519 50 0 HKAAMM COc1cccc2cc(-c3nnc([N-]C(=O)c4cc(Cl)sc4Cl)o3)oc21 ZINC000009167057 571232945 /nfs/dbraw/zinc/23/29/45/571232945.db2.gz YGXPLPPJWPGWDW-UHFFFAOYSA-N -1 1 410.238 5.112 50 0 HKAAMM O=C([N-]c1nnc(CSc2ccccc2)s1)c1sc2ccccc2c1Cl ZINC000009227190 557830567 /nfs/dbraw/zinc/83/05/67/557830567.db2.gz RPTGBPDYNRYFQO-UHFFFAOYSA-N -1 1 417.968 5.951 50 0 HKAAMM COc1ccccc1Cc1nnc([N-]C(=O)c2sc3ccccc3c2Cl)s1 ZINC000009227191 557830622 /nfs/dbraw/zinc/83/06/22/557830622.db2.gz SBLUUOLRFMJXIF-UHFFFAOYSA-N -1 1 415.927 5.258 50 0 HKAAMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1Cl ZINC000009233830 571239778 /nfs/dbraw/zinc/23/97/78/571239778.db2.gz RJNOEPPTQIKZJD-OVCLIPMQSA-N -1 1 424.703 5.045 50 0 HKAAMM O=c1[n-]c(SCc2ccc(Cl)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000009250947 571242230 /nfs/dbraw/zinc/24/22/30/571242230.db2.gz QRBRDZATZBEHJA-UHFFFAOYSA-N -1 1 408.954 5.751 50 0 biogenic HKAAMM O=c1[n-]c(SCc2ccccc2Cl)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000009250948 571242186 /nfs/dbraw/zinc/24/21/86/571242186.db2.gz KPCLWNUOFRLFHT-UHFFFAOYSA-N -1 1 408.954 5.751 50 0 biogenic HKAAMM O=C([N-]c1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)sc1Cl ZINC000009275164 571244579 /nfs/dbraw/zinc/24/45/79/571244579.db2.gz RRVAYJZUEWIWEI-UHFFFAOYSA-N -1 1 419.087 5.120 50 0 HKAAMM O=C(CSc1ccc(Cl)cc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000009305263 557835925 /nfs/dbraw/zinc/83/59/25/557835925.db2.gz JODOFKAMAITHJK-UHFFFAOYSA-N -1 1 410.882 5.585 50 0 HKAAMM COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1 ZINC000009306854 560758499 /nfs/dbraw/zinc/75/84/99/560758499.db2.gz QDBWTYAMWBLHAQ-UHFFFAOYSA-N -1 1 418.449 5.087 50 0 HKAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(CSc2ccccc2)s1 ZINC000009355815 557838765 /nfs/dbraw/zinc/83/87/65/557838765.db2.gz FOXNVEOENCQIOB-UHFFFAOYSA-N -1 1 408.508 5.046 50 0 HKAAMM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)c1 ZINC000009355995 571251146 /nfs/dbraw/zinc/25/11/46/571251146.db2.gz CUCKSOWHPUVJPU-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1F ZINC000009356417 571251126 /nfs/dbraw/zinc/25/11/26/571251126.db2.gz NGDIOURVELFCTI-UHFFFAOYSA-N -1 1 420.465 5.032 50 0 HKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1cc(=O)c2ccccc2o1 ZINC000009367804 571252336 /nfs/dbraw/zinc/25/23/36/571252336.db2.gz AOHJAWXNYZPYAD-UHFFFAOYSA-N -1 1 414.442 5.028 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1ccc2c(c1)CCCC2 ZINC000009403954 571255028 /nfs/dbraw/zinc/25/50/28/571255028.db2.gz BRTOFXRXXNMSRR-UHFFFAOYSA-N -1 1 421.547 5.038 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1ccc2ccccc2c1 ZINC000009403959 571255169 /nfs/dbraw/zinc/25/51/69/571255169.db2.gz AZGHXIGOYNYMKY-UHFFFAOYSA-N -1 1 417.515 5.312 50 0 HKAAMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1-c1nc2cccnc2s1 ZINC000009403985 571255127 /nfs/dbraw/zinc/25/51/27/571255127.db2.gz KAFKNAWMDGUQDQ-UHFFFAOYSA-N -1 1 415.927 5.121 50 0 HKAAMM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000009403997 571255159 /nfs/dbraw/zinc/25/51/59/571255159.db2.gz PVDRTSDZOZGXMD-UHFFFAOYSA-N -1 1 415.927 5.121 50 0 HKAAMM Cc1ccc(-c2nc3cccnc3s2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009403998 571255096 /nfs/dbraw/zinc/25/50/96/571255096.db2.gz YOQVBXLJCFBKNW-UHFFFAOYSA-N -1 1 415.927 5.121 50 0 HKAAMM Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])n1 ZINC000009410170 571255751 /nfs/dbraw/zinc/25/57/51/571255751.db2.gz WZEONJLQIBQONP-UHFFFAOYSA-N -1 1 421.859 5.470 50 0 HKAAMM CCc1ccc2oc(-c3cc(NC(=O)COc4ccc(C)cc4)ccc3[O-])nc2c1 ZINC000009485654 557844227 /nfs/dbraw/zinc/84/42/27/557844227.db2.gz GHSYJBUHGYAION-UHFFFAOYSA-N -1 1 402.450 5.089 50 0 HKAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000009685405 571279863 /nfs/dbraw/zinc/27/98/63/571279863.db2.gz CAXQTPHHUNWYFJ-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685477 571279859 /nfs/dbraw/zinc/27/98/59/571279859.db2.gz LMUVSDYEQVLAFD-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c(C)c1 ZINC000009685484 571279808 /nfs/dbraw/zinc/27/98/08/571279808.db2.gz ICOYMJSIJHKJOW-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1C ZINC000009685496 571279811 /nfs/dbraw/zinc/27/98/11/571279811.db2.gz ABRWFCNYUNKLGJ-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685504 571279879 /nfs/dbraw/zinc/27/98/79/571279879.db2.gz GUDCMKPYOYWVKS-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C)[nH]c1c2C(=O)CCC1 ZINC000009685856 571279933 /nfs/dbraw/zinc/27/99/33/571279933.db2.gz FQDWXXWEXGNYKE-UHFFFAOYSA-N -1 1 416.930 5.012 50 0 HKAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C)[nH]c1c2C(=O)CCC1 ZINC000009685859 571280006 /nfs/dbraw/zinc/28/00/06/571280006.db2.gz CWIAJBXEQWMQKE-UHFFFAOYSA-N -1 1 416.930 5.012 50 0 HKAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1C)[nH]c1c2C(=O)CCC1 ZINC000009685906 571279997 /nfs/dbraw/zinc/27/99/97/571279997.db2.gz QBHLYPFGZBLCRL-UHFFFAOYSA-N -1 1 416.930 5.012 50 0 HKAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000009685909 571279925 /nfs/dbraw/zinc/27/99/25/571279925.db2.gz AFOZKLMNLWLNMU-UHFFFAOYSA-N -1 1 416.930 5.012 50 0 HKAAMM Oc1ccccc1-c1nc(/C=C/c2cccs2)nc([N-]c2nc3ccccc3o2)n1 ZINC000009698870 571280558 /nfs/dbraw/zinc/28/05/58/571280558.db2.gz FWURUEQSVYIJGE-VAWYXSNFSA-N -1 1 413.462 5.361 50 0 HKAAMM O=C(Cc1ccc(Br)cc1)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000009699665 571280601 /nfs/dbraw/zinc/28/06/01/571280601.db2.gz DFIVIQJEDSWYBJ-UHFFFAOYSA-N -1 1 423.266 5.144 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc4sccc4c3)c2)cc1 ZINC000009714824 571281598 /nfs/dbraw/zinc/28/15/98/571281598.db2.gz DUYRLYGKHLYQAJ-UHFFFAOYSA-N -1 1 422.531 5.263 50 0 HKAAMM Cc1c(CNCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000009746722 571283964 /nfs/dbraw/zinc/28/39/64/571283964.db2.gz GGWTWDBRFWSDGE-UHFFFAOYSA-N -1 1 417.336 5.448 50 0 HKAAMM Cc1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1C ZINC000009806957 571285936 /nfs/dbraw/zinc/28/59/36/571285936.db2.gz JLRDHSIDAGKXBW-UHFFFAOYSA-N -1 1 410.539 5.049 50 0 HKAAMM COc1cccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(F)cccc2F)c1 ZINC000009958692 571291737 /nfs/dbraw/zinc/29/17/37/571291737.db2.gz HKAUCLVTECGXTR-UHFFFAOYSA-N -1 1 422.387 5.224 50 0 HKAAMM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(F)cccc2F)cc1 ZINC000009958826 571291861 /nfs/dbraw/zinc/29/18/61/571291861.db2.gz FYQVTSCUOBZIKQ-UHFFFAOYSA-N -1 1 422.387 5.224 50 0 HKAAMM O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc([O-])cc1 ZINC000010026895 569252854 /nfs/dbraw/zinc/25/28/54/569252854.db2.gz AHNVUIPMEKCTNH-UHFFFAOYSA-N -1 1 413.930 5.394 50 0 HKAAMM CC[C@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1)c1ccc(Cl)cc1 ZINC000010423374 571302279 /nfs/dbraw/zinc/30/22/79/571302279.db2.gz XCNDBJBSAAKZFS-SFHVURJKSA-N -1 1 414.962 5.227 50 0 HKAAMM CC[C@@H](NC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1)c1ccc(Cl)cc1 ZINC000010423376 571302281 /nfs/dbraw/zinc/30/22/81/571302281.db2.gz XCNDBJBSAAKZFS-GOSISDBHSA-N -1 1 414.962 5.227 50 0 HKAAMM CCc1cc2c(cc1[O-])oc(=O)cc2-c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000011865372 559263524 /nfs/dbraw/zinc/26/35/24/559263524.db2.gz SKBPZIGNIXADAG-UHFFFAOYSA-N -1 1 416.502 5.745 50 0 HKAAMM O=c1cc(OCc2ccc(Br)cc2)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000011865695 559263922 /nfs/dbraw/zinc/26/39/22/559263922.db2.gz VLXQRVNNSFTXBU-UHFFFAOYSA-N -1 1 423.262 5.507 50 0 biogenic HKAAMM O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc([O-])c12 ZINC000011865695 559263923 /nfs/dbraw/zinc/26/39/23/559263923.db2.gz VLXQRVNNSFTXBU-UHFFFAOYSA-N -1 1 423.262 5.507 50 0 biogenic HKAAMM Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3F)cc2[O-])n1 ZINC000011866334 559264111 /nfs/dbraw/zinc/26/41/11/559264111.db2.gz QNNWEGLWCHYSLE-UHFFFAOYSA-N -1 1 421.859 5.470 50 0 HKAAMM O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000012351769 568498737 /nfs/dbraw/zinc/49/87/37/568498737.db2.gz KAJUQNRNAFKZGC-VIZOYTHASA-N -1 1 414.697 5.589 50 0 HKAAMM O=c1cc([O-])[nH]c2c1sc1nc(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)c12 ZINC000012428274 558403722 /nfs/dbraw/zinc/40/37/22/558403722.db2.gz PTOCZGBKOBCWIR-UHFFFAOYSA-N -1 1 420.456 5.742 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)CCNc3ccc(C)c(C)c3)cc2)cc1 ZINC000012461858 568829279 /nfs/dbraw/zinc/82/92/79/568829279.db2.gz GBEUIZITCOUWII-UHFFFAOYSA-N -1 1 422.550 5.098 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000012508514 568840086 /nfs/dbraw/zinc/84/00/86/568840086.db2.gz KGJOKICUUYNSNI-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012541826 568848794 /nfs/dbraw/zinc/84/87/94/568848794.db2.gz FATHWVPPKVDVRP-UHFFFAOYSA-N -1 1 409.511 5.255 50 0 HKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000012623585 132365304 /nfs/dbraw/zinc/36/53/04/132365304.db2.gz VXNOXLSEFHGIPV-UHFFFAOYSA-N -1 1 418.868 5.150 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000012741591 568929719 /nfs/dbraw/zinc/92/97/19/568929719.db2.gz HZKJWHVCZLARJI-UHFFFAOYSA-N -1 1 412.518 5.126 50 0 HKAAMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)o1 ZINC000012762475 568946947 /nfs/dbraw/zinc/94/69/47/568946947.db2.gz YIRHNMNOFPVZFV-UHFFFAOYSA-N -1 1 416.808 5.123 50 0 HKAAMM CCOc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1Cl ZINC000012856631 558480768 /nfs/dbraw/zinc/48/07/68/558480768.db2.gz YNUCXJKGBKFKKJ-UHFFFAOYSA-N -1 1 408.841 5.505 50 0 HKAAMM CC(C)COc1ccc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1 ZINC000012856643 558480825 /nfs/dbraw/zinc/48/08/25/558480825.db2.gz AWFVJBBVTJMGCL-UHFFFAOYSA-N -1 1 402.450 5.488 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000012861032 569011678 /nfs/dbraw/zinc/01/16/78/569011678.db2.gz BTRONMSPWGPDQX-UHFFFAOYSA-N -1 1 422.598 5.262 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCC1CCCC1 ZINC000012907654 569021255 /nfs/dbraw/zinc/02/12/55/569021255.db2.gz FNJKHSDLCXVMOK-UHFFFAOYSA-N -1 1 420.962 5.358 50 0 HKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000012924962 569023627 /nfs/dbraw/zinc/02/36/27/569023627.db2.gz IGSOMQCAQJPGQK-UHFFFAOYSA-N -1 1 423.567 5.171 50 0 HKAAMM CCC(CC)c1nnc([N-]C(=O)c2c(C)onc2-c2c(F)cccc2Cl)s1 ZINC000012981398 569047215 /nfs/dbraw/zinc/04/72/15/569047215.db2.gz SGOQFSRIHFFKDV-UHFFFAOYSA-N -1 1 408.886 5.450 50 0 HKAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013041296 569407948 /nfs/dbraw/zinc/40/79/48/569407948.db2.gz FLMJXJMZQOKHOW-UHFFFAOYSA-N -1 1 403.731 5.178 50 0 HKAAMM CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013041422 569407931 /nfs/dbraw/zinc/40/79/31/569407931.db2.gz FYJYNHWDPBAEEU-UHFFFAOYSA-N -1 1 411.367 5.648 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1 ZINC000013041591 558507535 /nfs/dbraw/zinc/50/75/35/558507535.db2.gz DBTDSAOLNHTJLL-UHFFFAOYSA-N -1 1 412.477 5.559 50 0 HKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013058984 569408273 /nfs/dbraw/zinc/40/82/73/569408273.db2.gz DGLPHNVKSAFNIT-UHFFFAOYSA-N -1 1 403.731 5.178 50 0 HKAAMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000013097154 558513419 /nfs/dbraw/zinc/51/34/19/558513419.db2.gz QOMQHTKUDVDKSR-CYBMUJFWSA-N -1 1 400.466 5.086 50 0 HKAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)cc1 ZINC000013097155 558513425 /nfs/dbraw/zinc/51/34/25/558513425.db2.gz QOMQHTKUDVDKSR-ZDUSSCGKSA-N -1 1 400.466 5.086 50 0 HKAAMM O=C(C=Cc1ccccc1Cl)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013109194 569409268 /nfs/dbraw/zinc/40/92/68/569409268.db2.gz NNKKGPRBXRYYMB-ZHACJKMWSA-N -1 1 422.893 5.062 50 0 HKAAMM COc1ccc([O-])c(C(=O)c2cnc3c(c2)c(-c2ccccc2)nn3-c2ccccc2)c1 ZINC000013129390 569211368 /nfs/dbraw/zinc/21/13/68/569211368.db2.gz XAUPCMLTVKIRGY-UHFFFAOYSA-N -1 1 421.456 5.033 50 0 HKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 ZINC000013145599 558522893 /nfs/dbraw/zinc/52/28/93/558522893.db2.gz ZISXLNOPJUMCGK-UHFFFAOYSA-N -1 1 421.305 5.047 50 0 HKAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cs1 ZINC000013357825 569411458 /nfs/dbraw/zinc/41/14/58/569411458.db2.gz RDXUQJTVSGJAKM-UHFFFAOYSA-N -1 1 412.458 5.247 50 0 HKAAMM Cc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c2)cs1 ZINC000013358087 569411465 /nfs/dbraw/zinc/41/14/65/569411465.db2.gz RDHBCMJUVAKGFC-UHFFFAOYSA-N -1 1 412.458 5.247 50 0 HKAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013358310 569411701 /nfs/dbraw/zinc/41/17/01/569411701.db2.gz YBBUDAIKPSCKAC-UHFFFAOYSA-N -1 1 419.506 5.130 50 0 HKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)n2)cc1 ZINC000013359135 569411586 /nfs/dbraw/zinc/41/15/86/569411586.db2.gz XFMYXFYDIBDRSL-UHFFFAOYSA-N -1 1 408.454 5.257 50 0 HKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)n2)cc1 ZINC000013359140 569411656 /nfs/dbraw/zinc/41/16/56/569411656.db2.gz QDCPTDHALJDCIF-UHFFFAOYSA-N -1 1 424.909 5.771 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1 ZINC000013359164 569411678 /nfs/dbraw/zinc/41/16/78/569411678.db2.gz YGLLMUJNPLYIMY-UHFFFAOYSA-N -1 1 420.490 5.126 50 0 HKAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccc(C)cc4)co3)c2)cc1 ZINC000013359176 569411675 /nfs/dbraw/zinc/41/16/75/569411675.db2.gz BJOHIBXLVUSQHK-UHFFFAOYSA-N -1 1 418.518 5.680 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccc4)co3)c2)cc1 ZINC000013359179 569411690 /nfs/dbraw/zinc/41/16/90/569411690.db2.gz PTWPYCDGJVVWRW-UHFFFAOYSA-N -1 1 418.518 5.933 50 0 HKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccc4)co3)c2)cc1 ZINC000013359194 569411697 /nfs/dbraw/zinc/41/16/97/569411697.db2.gz CKBQHYMCYSAFPG-UHFFFAOYSA-N -1 1 420.490 5.208 50 0 HKAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccc4)co3)c2)c1 ZINC000013359200 569411595 /nfs/dbraw/zinc/41/15/95/569411595.db2.gz KJDYXDMYGKSICF-UHFFFAOYSA-N -1 1 418.518 5.735 50 0 HKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4cc(C)cc(C)c4)c3)n2)cc1 ZINC000013359209 569411635 /nfs/dbraw/zinc/41/16/35/569411635.db2.gz ZVGYLWDUWBVVJQ-UHFFFAOYSA-N -1 1 418.518 5.735 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(-c4ccccc4C)co3)c2)cc1 ZINC000013359212 569411669 /nfs/dbraw/zinc/41/16/69/569411669.db2.gz YILPQQKPBSNHMR-UHFFFAOYSA-N -1 1 404.491 5.426 50 0 HKAAMM Cc1ccccc1-c1coc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)n1 ZINC000013359214 569411604 /nfs/dbraw/zinc/41/16/04/569411604.db2.gz RATZONOQWPPUPO-UHFFFAOYSA-N -1 1 424.909 5.771 50 0 HKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)c(C)c1 ZINC000013360648 569411720 /nfs/dbraw/zinc/41/17/20/569411720.db2.gz JJKJSAFIWSBRAA-UHFFFAOYSA-N -1 1 422.481 5.565 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)cc4C)co3)cc2)cc1 ZINC000013360651 569411754 /nfs/dbraw/zinc/41/17/54/569411754.db2.gz BMSXDIXTHHBTLB-UHFFFAOYSA-N -1 1 418.518 5.735 50 0 HKAAMM Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)n2)cc1C ZINC000013360706 569411779 /nfs/dbraw/zinc/41/17/79/569411779.db2.gz YWARHWGELRDNOO-UHFFFAOYSA-N -1 1 422.481 5.565 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(-c4ccc(C)c(C)c4)co3)cc2)cc1 ZINC000013360712 569411741 /nfs/dbraw/zinc/41/17/41/569411741.db2.gz YSVYKQQTTRJXKY-UHFFFAOYSA-N -1 1 418.518 5.735 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)sc2c1 ZINC000013948064 558985884 /nfs/dbraw/zinc/98/58/84/558985884.db2.gz NHJSUUNYRCFLAA-UHFFFAOYSA-N -1 1 408.548 5.689 50 0 HKAAMM Cc1nc2sc(-c3ccccc3)cc2c(SCC(=O)c2ccc([O-])cc2O)n1 ZINC000014129705 558623870 /nfs/dbraw/zinc/62/38/70/558623870.db2.gz ONXMBCGEMPUMAW-UHFFFAOYSA-N -1 1 408.504 5.053 50 0 HKAAMM CC(C)C[C@@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014197332 569258888 /nfs/dbraw/zinc/25/88/88/569258888.db2.gz FZNCRLOJBIHZEX-GOSISDBHSA-N -1 1 414.962 5.165 50 0 HKAAMM CC(C)C[C@H](NC(=O)Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014197333 569258906 /nfs/dbraw/zinc/25/89/06/569258906.db2.gz FZNCRLOJBIHZEX-SFHVURJKSA-N -1 1 414.962 5.165 50 0 HKAAMM CC[C@@H](C)c1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000014245743 569259191 /nfs/dbraw/zinc/25/91/91/569259191.db2.gz OKKBEUHQVVLQSR-OAHLLOKOSA-N -1 1 410.543 5.159 50 0 HKAAMM CC[C@H](C)c1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000014245744 569259142 /nfs/dbraw/zinc/25/91/42/569259142.db2.gz OKKBEUHQVVLQSR-HNNXBMFYSA-N -1 1 410.543 5.159 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000014257280 558651483 /nfs/dbraw/zinc/65/14/83/558651483.db2.gz UHOUCVAVWNOYEO-UHFFFAOYSA-N -1 1 411.367 5.648 50 0 HKAAMM CC(C)=CCc1cc2c(c(CC=C(C)C)c1[O-])OC[C@H](c1ccc(O)cc1O)C2=O ZINC000014780900 291287619 /nfs/dbraw/zinc/28/76/19/291287619.db2.gz QUBRRXBPXPHDJO-OAQYLSRUSA-N -1 1 408.494 5.180 50 0 biogenic,in-vitro HKAAMM CC(C)=CCc1cc2c(c(CC=C(C)C)c1[O-])OC[C@@H](c1ccc(O)cc1O)C2=O ZINC000014780903 291287576 /nfs/dbraw/zinc/28/75/76/291287576.db2.gz QUBRRXBPXPHDJO-NRFANRHFSA-N -1 1 408.494 5.180 50 0 biogenic,in-vitro HKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000015685738 558749050 /nfs/dbraw/zinc/74/90/50/558749050.db2.gz BWGAYCGDFWQGLE-DHDCSXOGSA-N -1 1 406.326 5.357 50 0 HKAAMM CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1Cl ZINC000015723561 558773696 /nfs/dbraw/zinc/77/36/96/558773696.db2.gz FMKKCMPBULDEDO-UHFFFAOYSA-N -1 1 424.909 5.973 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3[O-])nc2c1 ZINC000015833173 569012832 /nfs/dbraw/zinc/01/28/32/569012832.db2.gz LQGNIPVQNMTAIG-UHFFFAOYSA-N -1 1 408.841 5.180 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[O-])nc2c1 ZINC000015833176 569012820 /nfs/dbraw/zinc/01/28/20/569012820.db2.gz MLKDHMGBXLTLAV-UHFFFAOYSA-N -1 1 408.841 5.180 50 0 HKAAMM Cc1ccc(COc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000015856177 558756940 /nfs/dbraw/zinc/75/69/40/558756940.db2.gz PWUOHNOVLXEVPF-CXUHLZMHSA-N -1 1 420.353 5.666 50 0 HKAAMM CC[C@@H](C)c1ccc(OCCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000015857184 558757072 /nfs/dbraw/zinc/75/70/72/558757072.db2.gz WUZVSDASMNISAW-KQRQPNSISA-N -1 1 411.523 5.372 50 0 HKAAMM CC[C@H](C)c1ccc(OCCCOc2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1 ZINC000015857187 558757108 /nfs/dbraw/zinc/75/71/08/558757108.db2.gz WUZVSDASMNISAW-NOEYKIMYSA-N -1 1 411.523 5.372 50 0 HKAAMM Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)n2)cc1 ZINC000015869099 558759760 /nfs/dbraw/zinc/75/97/60/558759760.db2.gz BPTTYIDHWDRYIQ-UHFFFAOYSA-N -1 1 404.491 5.426 50 0 HKAAMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000015869160 558759959 /nfs/dbraw/zinc/75/99/59/558759959.db2.gz LSNSICNDHQOQNZ-UHFFFAOYSA-N -1 1 419.506 5.157 50 0 HKAAMM CCCn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000015870736 569017422 /nfs/dbraw/zinc/01/74/22/569017422.db2.gz KVCCVCRDEIJGTR-UHFFFAOYSA-N -1 1 419.550 5.032 50 0 HKAAMM CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c1 ZINC000015882501 569019125 /nfs/dbraw/zinc/01/91/25/569019125.db2.gz USWKGPRRGRTXAG-UHFFFAOYSA-N -1 1 406.532 6.033 50 0 HKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1cccc(Cl)c1 ZINC000015913913 558761924 /nfs/dbraw/zinc/76/19/24/558761924.db2.gz AKRGLYJPIWIKCV-UHFFFAOYSA-N -1 1 421.305 5.047 50 0 HKAAMM O=C(Nc1cccc(Cl)c1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000016425933 558790653 /nfs/dbraw/zinc/79/06/53/558790653.db2.gz DPEQBIKHOWMQBQ-UHFFFAOYSA-N -1 1 421.305 5.047 50 0 HKAAMM O=C([O-])c1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016449727 558792174 /nfs/dbraw/zinc/79/21/74/558792174.db2.gz CRTNMPBXTXGPRJ-UHFFFAOYSA-N -1 1 416.304 5.560 50 0 HKAAMM CC(C)Cc1nnc([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)s1 ZINC000016734427 558802513 /nfs/dbraw/zinc/80/25/13/558802513.db2.gz RCLQKUYLCQTVNE-UHFFFAOYSA-N -1 1 420.774 6.164 50 0 HKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000016780484 558806757 /nfs/dbraw/zinc/80/67/57/558806757.db2.gz RPCNDQUVQQIIKS-UHFFFAOYSA-N -1 1 424.547 5.471 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)c(C)c4)cc3)sc2c1 ZINC000016780486 558806780 /nfs/dbraw/zinc/80/67/80/558806780.db2.gz YSZUAIKMUUHLLH-UHFFFAOYSA-N -1 1 412.511 5.520 50 0 HKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4)oc3C)n2)c1 ZINC000016840768 569264404 /nfs/dbraw/zinc/26/44/04/569264404.db2.gz VWOXQPYIJVZJHP-UHFFFAOYSA-N -1 1 405.479 5.114 50 0 HKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4)oc3C)n2)cc1 ZINC000016840770 569264449 /nfs/dbraw/zinc/26/44/49/569264449.db2.gz OCVFIZIMEIDYSR-UHFFFAOYSA-N -1 1 405.479 5.114 50 0 HKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C)cc4)oc3C)n2)c1 ZINC000016840779 569264465 /nfs/dbraw/zinc/26/44/65/569264465.db2.gz YSFNQDNPDYGHEH-UHFFFAOYSA-N -1 1 419.506 5.422 50 0 HKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccc(C)cc4)oc3C)n2)cc1 ZINC000016840781 569264363 /nfs/dbraw/zinc/26/43/63/569264363.db2.gz DCBNRYBJZPHASN-UHFFFAOYSA-N -1 1 419.506 5.422 50 0 HKAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000016840791 569264410 /nfs/dbraw/zinc/26/44/10/569264410.db2.gz WWIJQEUYJIOWME-UHFFFAOYSA-N -1 1 401.797 5.110 50 0 HKAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(-c2ccncc2)cc(=O)[n-]1 ZINC000016840795 569264383 /nfs/dbraw/zinc/26/43/83/569264383.db2.gz ATUBYDPRCQVQPK-UHFFFAOYSA-N -1 1 410.886 5.153 50 0 HKAAMM Cc1oc(-c2ccc(C)cc2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000016841304 569264527 /nfs/dbraw/zinc/26/45/27/569264527.db2.gz GBZQWCDOKAQOGC-UHFFFAOYSA-N -1 1 417.534 5.646 50 0 HKAAMM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000016841308 569264534 /nfs/dbraw/zinc/26/45/34/569264534.db2.gz YPZHUVDRMXBCAP-UHFFFAOYSA-N -1 1 409.898 5.758 50 0 HKAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000016841310 569264487 /nfs/dbraw/zinc/26/44/87/569264487.db2.gz FNQYHIXFGQEPLF-UHFFFAOYSA-N -1 1 409.898 5.758 50 0 HKAAMM CCOc1ccccc1-c1nc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)c(C)o1 ZINC000016841819 569264638 /nfs/dbraw/zinc/26/46/38/569264638.db2.gz VXWQCIYWBTZXBD-UHFFFAOYSA-N -1 1 419.506 5.504 50 0 HKAAMM Cc1oc(-c2ccccc2C)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000016841830 569264617 /nfs/dbraw/zinc/26/46/17/569264617.db2.gz DJTZYRVEBVLEMW-UHFFFAOYSA-N -1 1 417.534 5.646 50 0 HKAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4C)oc3C)n2)c1 ZINC000016841832 569264640 /nfs/dbraw/zinc/26/46/40/569264640.db2.gz MNDZUKPGAZUILJ-UHFFFAOYSA-N -1 1 419.506 5.422 50 0 HKAAMM COc1ccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4C)oc3C)n2)cc1 ZINC000016841834 569264646 /nfs/dbraw/zinc/26/46/46/569264646.db2.gz VGNNKCOFHYFIKS-UHFFFAOYSA-N -1 1 419.506 5.422 50 0 HKAAMM CCCCCCSc1nc2c(c(=O)[n-]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000016944413 558809711 /nfs/dbraw/zinc/80/97/11/558809711.db2.gz IJNOLBUQFQKFID-VWLOTQADSA-N -1 1 410.627 6.503 50 0 HKAAMM CCCCCCSc1nc2c(c(=O)[n-]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000016944416 558809693 /nfs/dbraw/zinc/80/96/93/558809693.db2.gz IJNOLBUQFQKFID-RUZDIDTESA-N -1 1 410.627 6.503 50 0 HKAAMM Cc1sc2[nH]c(=S)n(-c3cc(Cl)ccc3[O-])c(=O)c2c1-c1ccccc1 ZINC000017082102 558814064 /nfs/dbraw/zinc/81/40/64/558814064.db2.gz ZJANFFPTBFMMIO-UHFFFAOYSA-N -1 1 400.912 5.070 50 0 HKAAMM Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1C ZINC000017088289 558817151 /nfs/dbraw/zinc/81/71/51/558817151.db2.gz KJRNJPQXUMANMY-UHFFFAOYSA-N -1 1 409.511 5.057 50 0 HKAAMM CC(C)c1nnc([N-]C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)s1 ZINC000017113728 569274937 /nfs/dbraw/zinc/27/49/37/569274937.db2.gz TWOKSQSATIOCQQ-UHFFFAOYSA-N -1 1 419.548 6.181 50 0 HKAAMM C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000017138742 558823725 /nfs/dbraw/zinc/82/37/25/558823725.db2.gz DWVPQNLKURFDOJ-AREMUKBSSA-N -1 1 416.590 6.123 50 0 HKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc2c(c1)CCCC2 ZINC000017201252 560704568 /nfs/dbraw/zinc/70/45/68/560704568.db2.gz MRHUPBZVDCDDHX-UHFFFAOYSA-N -1 1 400.503 5.800 50 0 HKAAMM CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl ZINC000017297285 560706213 /nfs/dbraw/zinc/70/62/13/560706213.db2.gz SBYAVBPAUNJNEG-UHFFFAOYSA-N -1 1 424.840 5.479 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000017355826 560709793 /nfs/dbraw/zinc/70/97/93/560709793.db2.gz AQDIYFKCVQCPHN-RNXZQOMOSA-N -1 1 424.614 5.027 50 0 HKAAMM CCCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)n1 ZINC000018324728 558835681 /nfs/dbraw/zinc/83/56/81/558835681.db2.gz PKQLBUZGKUZXHL-UHFFFAOYSA-N -1 1 423.925 5.448 50 0 HKAAMM O=c1[n-]c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000018325284 558835614 /nfs/dbraw/zinc/83/56/14/558835614.db2.gz BBDXVVJZXCBUFE-UHFFFAOYSA-N -1 1 402.563 5.530 50 0 biogenic HKAAMM O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cc2ccccc2)c1[O-] ZINC000019891655 558303236 /nfs/dbraw/zinc/30/32/36/558303236.db2.gz VCKLGSXYSOAWBM-UHFFFAOYSA-N -1 1 416.702 5.651 50 0 HKAAMM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000019925481 558307825 /nfs/dbraw/zinc/30/78/25/558307825.db2.gz BFNNAXXEKHOJAT-UHFFFAOYSA-N -1 1 414.914 5.010 50 0 HKAAMM Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3[O-])nc2c1 ZINC000019925493 558307952 /nfs/dbraw/zinc/30/79/52/558307952.db2.gz MMDFUTINNKMUEI-UHFFFAOYSA-N -1 1 422.868 5.488 50 0 HKAAMM O=c1c2[n-]c3sc4c(c3c2[nH]c(=S)n1-c1ccc(F)c(Cl)c1)CCCC4 ZINC000020386116 568603349 /nfs/dbraw/zinc/60/33/49/568603349.db2.gz KZCORDCOYGDQPJ-UHFFFAOYSA-N -1 1 405.907 5.262 50 0 HKAAMM Cc1ccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)c(C)c4)c3)nc2c1 ZINC000020463698 568609959 /nfs/dbraw/zinc/60/99/59/568609959.db2.gz PCXJSMGNAZMKRS-UHFFFAOYSA-N -1 1 405.523 5.036 50 0 HKAAMM Cc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1C ZINC000020580426 526449749 /nfs/dbraw/zinc/44/97/49/526449749.db2.gz RTRPWYZLPCLJGF-UHFFFAOYSA-N -1 1 410.417 5.086 50 0 HKAAMM CCc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cs1 ZINC000020607053 558388294 /nfs/dbraw/zinc/38/82/94/558388294.db2.gz GOKHMKLBPMSWRV-UHFFFAOYSA-N -1 1 420.943 5.017 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1cc(Cl)ccc1Cl ZINC000020716852 558401609 /nfs/dbraw/zinc/40/16/09/558401609.db2.gz IRLILXKPPNFHBX-UHFFFAOYSA-N -1 1 400.221 5.155 50 0 HKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000020725510 558404597 /nfs/dbraw/zinc/40/45/97/558404597.db2.gz ARZROMZNFDMTMP-UHFFFAOYSA-N -1 1 400.221 5.155 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1Cl ZINC000020730089 558406089 /nfs/dbraw/zinc/40/60/89/558406089.db2.gz VTJSJDKQQRWPIQ-UHFFFAOYSA-N -1 1 400.221 5.155 50 0 HKAAMM O=C([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]2)cc1 ZINC000020806856 568644094 /nfs/dbraw/zinc/64/40/94/568644094.db2.gz VQCLSGGLTZZJLB-UHFFFAOYSA-N -1 1 408.379 6.128 50 0 HKAAMM CCCc1cc(=O)[n-]c(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2)n1 ZINC000020808336 568644271 /nfs/dbraw/zinc/64/42/71/568644271.db2.gz NAJKYSSBWPADSL-UHFFFAOYSA-N -1 1 423.925 5.448 50 0 HKAAMM COc1cccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)/c(=N/[O-])oc21 ZINC000020849178 568644802 /nfs/dbraw/zinc/64/48/02/568644802.db2.gz WJQYUSXWZPWTOP-NKFKGCMQSA-N -1 1 419.289 5.829 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 ZINC000020897063 568649350 /nfs/dbraw/zinc/64/93/50/568649350.db2.gz WUXUFQCLIRDWDR-UHFFFAOYSA-N -1 1 412.898 5.566 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 ZINC000020897066 568649448 /nfs/dbraw/zinc/64/94/48/568649448.db2.gz CSJDJRLEMGKWQK-UHFFFAOYSA-N -1 1 412.898 5.566 50 0 HKAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990012 568655614 /nfs/dbraw/zinc/65/56/14/568655614.db2.gz FJKPEYORNONRGV-UHFFFAOYSA-N -1 1 416.930 5.086 50 0 HKAAMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990015 568655576 /nfs/dbraw/zinc/65/55/76/568655576.db2.gz FVQDMYVQXDSZNK-UHFFFAOYSA-N -1 1 416.930 5.086 50 0 HKAAMM Cc1c(CNCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cccc(Cl)c1 ZINC000021024427 568658596 /nfs/dbraw/zinc/65/85/96/568658596.db2.gz FIKPIOLTEUREDI-UHFFFAOYSA-N -1 1 417.336 5.448 50 0 HKAAMM Cc1c(CNCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000021024518 568658658 /nfs/dbraw/zinc/65/86/58/568658658.db2.gz PFFIVWNCAZHCPY-UHFFFAOYSA-N -1 1 417.336 5.448 50 0 HKAAMM Cc1c(CNCc2ccccc2Cl)c(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000021024665 568658480 /nfs/dbraw/zinc/65/84/80/568658480.db2.gz CUNORMDMIXLIER-UHFFFAOYSA-N -1 1 403.309 5.389 50 0 HKAAMM CCOc1ccccc1CNCc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000021024950 568658859 /nfs/dbraw/zinc/65/88/59/568658859.db2.gz IZIUGRNLQAYABC-UHFFFAOYSA-N -1 1 412.917 5.134 50 0 HKAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000021033917 568659597 /nfs/dbraw/zinc/65/95/97/568659597.db2.gz XJXUKCZWGDNMLE-UHFFFAOYSA-N -1 1 402.903 5.290 50 0 HKAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C3CC3)o2)ccc1C ZINC000021033924 568659673 /nfs/dbraw/zinc/65/96/73/568659673.db2.gz JXRPEUCAEYRVPJ-UHFFFAOYSA-N -1 1 402.903 5.290 50 0 HKAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000021034045 568659612 /nfs/dbraw/zinc/65/96/12/568659612.db2.gz PEHCGZCQDQIEHN-UHFFFAOYSA-N -1 1 402.903 5.290 50 0 HKAAMM CSc1cccc([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034121 568659454 /nfs/dbraw/zinc/65/94/54/568659454.db2.gz UYVXXXAPUYGHFT-UHFFFAOYSA-N -1 1 400.525 5.050 50 0 HKAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000021034210 568659576 /nfs/dbraw/zinc/65/95/76/568659576.db2.gz CUUFFFBQQDXYOG-UHFFFAOYSA-N -1 1 406.866 5.121 50 0 HKAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000021034275 568659460 /nfs/dbraw/zinc/65/94/60/568659460.db2.gz LUULGPWAHLHCQB-UHFFFAOYSA-N -1 1 404.491 5.481 50 0 HKAAMM Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000021034317 568659617 /nfs/dbraw/zinc/65/96/17/568659617.db2.gz YUHZONFSMIMHND-UHFFFAOYSA-N -1 1 408.523 5.207 50 0 HKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc1Cl ZINC000021112694 568668653 /nfs/dbraw/zinc/66/86/53/568668653.db2.gz HDAPPILZMDBRGX-UHFFFAOYSA-N -1 1 418.946 5.290 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000021705398 568744408 /nfs/dbraw/zinc/74/44/08/568744408.db2.gz KGAXRCMIJZTVBE-UHFFFAOYSA-N -1 1 419.506 5.328 50 0 HKAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000021705406 568744353 /nfs/dbraw/zinc/74/43/53/568744353.db2.gz URNMJUHNAMWRCT-UHFFFAOYSA-N -1 1 419.506 5.130 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711479 568748373 /nfs/dbraw/zinc/74/83/73/568748373.db2.gz OYXHGLUYNPWWCM-UHFFFAOYSA-N -1 1 419.506 5.328 50 0 HKAAMM CCOc1ccc(-c2nc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)c(C)o2)cc1 ZINC000023126193 559014032 /nfs/dbraw/zinc/01/40/32/559014032.db2.gz DEHDFYMGUNSICM-UHFFFAOYSA-N -1 1 419.506 5.504 50 0 HKAAMM COc1ccccc1-c1nc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)c(C)o1 ZINC000023126198 559014053 /nfs/dbraw/zinc/01/40/53/559014053.db2.gz CCUUXXUZSLEWST-UHFFFAOYSA-N -1 1 405.479 5.114 50 0 HKAAMM Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(-c2cccnc2)cc(=O)[n-]1 ZINC000023126393 559014154 /nfs/dbraw/zinc/01/41/54/559014154.db2.gz VTJJSAFGHPKJLB-UHFFFAOYSA-N -1 1 410.886 5.153 50 0 HKAAMM COc1ccc(-c2ccc3nc(-c4cc(Cl)ccc4[O-])oc3c2)c(OC)c1OC ZINC000023457336 559176215 /nfs/dbraw/zinc/17/62/15/559176215.db2.gz QYNBFANUAGGJLP-UHFFFAOYSA-N -1 1 411.841 5.547 50 0 HKAAMM O=c1nc(CN(Cc2ccccc2)Cc2cccc3ccccc32)[n-]c2ccsc21 ZINC000024528704 558600364 /nfs/dbraw/zinc/60/03/64/558600364.db2.gz QQHPYZGSUQVJIK-UHFFFAOYSA-N -1 1 411.530 5.340 50 0 HKAAMM CC[C@@H](C)c1ccc(NC(=O)c2sc3[n-]c(-c4ccco4)nc(=O)c3c2C)cc1 ZINC000024549403 558601071 /nfs/dbraw/zinc/60/10/71/558601071.db2.gz DIENIDNWJVBTSM-GFCCVEGCSA-N -1 1 407.495 5.319 50 0 HKAAMM CC[C@H](C)c1ccc(NC(=O)c2sc3[n-]c(-c4ccco4)nc(=O)c3c2C)cc1 ZINC000024549408 558601021 /nfs/dbraw/zinc/60/10/21/558601021.db2.gz DIENIDNWJVBTSM-LBPRGKRZSA-N -1 1 407.495 5.319 50 0 HKAAMM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1ccc(C2CCCCC2)cc1 ZINC000024576229 558601523 /nfs/dbraw/zinc/60/15/23/558601523.db2.gz GPOJYSGSPAKKJT-UHFFFAOYSA-N -1 1 409.511 5.117 50 0 HKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)c(C)c1 ZINC000025059448 558629414 /nfs/dbraw/zinc/62/94/14/558629414.db2.gz SXWQHRKHJFUPOO-UHFFFAOYSA-N -1 1 409.511 5.057 50 0 HKAAMM Oc1ccccc1-c1nc(/C=C/c2ccccc2)nc([N-]c2nc3ccccc3o2)n1 ZINC000025185597 560891416 /nfs/dbraw/zinc/89/14/16/560891416.db2.gz PYTDFZIKVLAANJ-CCEZHUSRSA-N -1 1 407.433 5.299 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000026548302 558662887 /nfs/dbraw/zinc/66/28/87/558662887.db2.gz DRYMHJWZLFJMCU-UHFFFAOYSA-N -1 1 409.294 5.327 50 0 HKAAMM CCCCOC(=O)c1cc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)ccc1Cl ZINC000027499759 558673653 /nfs/dbraw/zinc/67/36/53/558673653.db2.gz XOOXDZSVHTXSME-YBEGLDIGSA-N -1 1 421.927 5.886 50 0 HKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000027532453 558674308 /nfs/dbraw/zinc/67/43/08/558674308.db2.gz GNYMLVZZFMGBIF-YBEGLDIGSA-N -1 1 419.911 5.287 50 0 HKAAMM Cc1ccc(Sc2nc3c(C)cccc3cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000027573067 569374811 /nfs/dbraw/zinc/37/48/11/569374811.db2.gz AYDGFFICHOSXAP-BOPFTXTBSA-N -1 1 408.573 6.332 50 0 HKAAMM COc1ccc(-c2nsc([N-]C(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000027793883 558682882 /nfs/dbraw/zinc/68/28/82/558682882.db2.gz HSUUNSZVAAMUCC-UHFFFAOYSA-N -1 1 401.900 5.334 50 0 HKAAMM Cc1ccc(-c2nsc([N-]C(=O)c3sc4cc(C)ccc4c3Cl)n2)s1 ZINC000028405063 558700248 /nfs/dbraw/zinc/70/02/48/558700248.db2.gz WBGJCUNTDNWKFZ-UHFFFAOYSA-N -1 1 405.957 6.004 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccc(F)cc1 ZINC000028851780 558706088 /nfs/dbraw/zinc/70/60/88/558706088.db2.gz UEZHPQDKJZLSEZ-UHFFFAOYSA-N -1 1 417.412 5.038 50 0 HKAAMM Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000031297197 568922416 /nfs/dbraw/zinc/92/24/16/568922416.db2.gz ZGSVIOMVTBBYSF-UHFFFAOYSA-N -1 1 422.535 5.409 50 0 HKAAMM CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)cc1 ZINC000032072284 520870756 /nfs/dbraw/zinc/87/07/56/520870756.db2.gz IIUSVQMRFFHBSO-UHFFFAOYSA-N -1 1 403.438 5.027 50 0 HKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000032089311 527141778 /nfs/dbraw/zinc/14/17/78/527141778.db2.gz ZMXWWNZQGRHDKR-UHFFFAOYSA-N -1 1 407.429 5.515 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl ZINC000032094614 527235492 /nfs/dbraw/zinc/23/54/92/527235492.db2.gz DEHLRSDEJPXHCW-UHFFFAOYSA-N -1 1 421.865 5.716 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(Cl)c(Cl)c1 ZINC000032096318 527235550 /nfs/dbraw/zinc/23/55/50/527235550.db2.gz OFQHXZKHOIWJBB-UHFFFAOYSA-N -1 1 400.221 5.155 50 0 HKAAMM COc1cc2ccccc2cc1C(=O)Nc1ccc([O-])c(-c2nc3cnccc3o2)c1 ZINC000032103782 523060911 /nfs/dbraw/zinc/06/09/11/523060911.db2.gz VUIUFIMORRSWQR-UHFFFAOYSA-N -1 1 411.417 5.010 50 0 HKAAMM CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c([O-])c2)c1 ZINC000032105944 520901731 /nfs/dbraw/zinc/90/17/31/520901731.db2.gz LVBFVJUCPGTHTK-UHFFFAOYSA-N -1 1 403.438 5.027 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)C(c1ccccc1)c1ccccc1 ZINC000032106251 527235520 /nfs/dbraw/zinc/23/55/20/527235520.db2.gz RCWQNGHQIJQPNY-UHFFFAOYSA-N -1 1 421.456 5.366 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Oc2ccc(Cl)c3ccccc23)c1 ZINC000032426734 524115915 /nfs/dbraw/zinc/11/59/15/524115915.db2.gz AIVQJNLHHANINF-UHFFFAOYSA-N -1 1 409.898 5.328 50 0 HKAAMM Cc1ccc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2Br)cc1 ZINC000032670933 568695003 /nfs/dbraw/zinc/69/50/03/568695003.db2.gz VUGOPEQLAGAKLC-SXGWCWSVSA-N -1 1 420.353 5.666 50 0 HKAAMM Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000032930131 525243596 /nfs/dbraw/zinc/24/35/96/525243596.db2.gz YIEZWLBMVCHYRO-UHFFFAOYSA-N -1 1 416.502 5.201 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000032930139 525235385 /nfs/dbraw/zinc/23/53/85/525235385.db2.gz HOKOZIOKVAHVMW-UHFFFAOYSA-N -1 1 422.531 5.263 50 0 HKAAMM O=c1[n-]c(SCc2ccccc2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 ZINC000032948336 527441710 /nfs/dbraw/zinc/44/17/10/527441710.db2.gz DXACSIJQFCEAOV-UHFFFAOYSA-N -1 1 417.968 5.450 50 0 HKAAMM O=c1[n-]c(SCc2ccccc2Cl)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948499 527441930 /nfs/dbraw/zinc/44/19/30/527441930.db2.gz UFSSRNBPXODCCR-UHFFFAOYSA-N -1 1 417.968 5.450 50 0 HKAAMM O=c1[n-]c(SCc2ccc(Cl)cc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948501 527441053 /nfs/dbraw/zinc/44/10/53/527441053.db2.gz OATCEABEDSVYHM-UHFFFAOYSA-N -1 1 417.968 5.450 50 0 HKAAMM O=c1[n-]c(SCc2cccc(Cl)c2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948503 527441745 /nfs/dbraw/zinc/44/17/45/527441745.db2.gz AZTOXYOAXASUOD-UHFFFAOYSA-N -1 1 417.968 5.450 50 0 HKAAMM Cc1ccccc1-n1c2nc(SCc3ccccc3F)[n-]c(=O)c2sc1=S ZINC000032948676 525026824 /nfs/dbraw/zinc/02/68/24/525026824.db2.gz RNBMYJLCVHUWAW-UHFFFAOYSA-N -1 1 415.540 5.245 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4cc(C(C)C)ccc4n3)c2)cc1 ZINC000033020668 558836770 /nfs/dbraw/zinc/83/67/70/558836770.db2.gz YKOMZNCXWCLKFE-UHFFFAOYSA-N -1 1 416.546 6.134 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)c(Cl)c1 ZINC000033025728 558846586 /nfs/dbraw/zinc/84/65/86/558846586.db2.gz LAFJYLLWEUUDQM-UHFFFAOYSA-N -1 1 400.862 5.428 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc2c(c1)CCCC2 ZINC000033025730 558846631 /nfs/dbraw/zinc/84/66/31/558846631.db2.gz XGGNHGGUNLEZEY-UHFFFAOYSA-N -1 1 402.519 5.515 50 0 HKAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025736 558846608 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Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033025807 558846737 /nfs/dbraw/zinc/84/67/37/558846737.db2.gz UQXXKAMRWOECRE-UHFFFAOYSA-N -1 1 410.926 5.906 50 0 HKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025808 558846721 /nfs/dbraw/zinc/84/67/21/558846721.db2.gz NVZXNSRJFBDHGU-UHFFFAOYSA-N -1 1 408.498 5.727 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc(F)c(Cl)c1 ZINC000033025829 558846755 /nfs/dbraw/zinc/84/67/55/558846755.db2.gz VELIIGMEMMPEBQ-UHFFFAOYSA-N -1 1 418.852 5.567 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccc2c(c1)CCCC2 ZINC000033025832 558846717 /nfs/dbraw/zinc/84/67/17/558846717.db2.gz VZYGWUDUKWVLKP-UHFFFAOYSA-N -1 1 420.509 5.654 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025836 558846715 /nfs/dbraw/zinc/84/67/15/558846715.db2.gz SNZIEPSBHQHEAH-UHFFFAOYSA-N -1 1 408.498 5.898 50 0 HKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 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Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 ZINC000033169050 558898775 /nfs/dbraw/zinc/89/87/75/558898775.db2.gz BLAZUHMTCXMBEO-UHFFFAOYSA-N -1 1 414.939 5.726 50 0 HKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169110 558898799 /nfs/dbraw/zinc/89/87/99/558898799.db2.gz QOZKZTCSSDPXJU-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000033169113 558898865 /nfs/dbraw/zinc/89/88/65/558898865.db2.gz SDQDBDFPRDJLQC-UHFFFAOYSA-N -1 1 414.939 5.726 50 0 HKAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000033169116 526244105 /nfs/dbraw/zinc/24/41/05/526244105.db2.gz TVEWUZUYOWNTNO-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033169122 526055082 /nfs/dbraw/zinc/05/50/82/526055082.db2.gz WLLBIMXJRAOFGS-UHFFFAOYSA-N -1 1 422.575 6.196 50 0 HKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169125 524016942 /nfs/dbraw/zinc/01/69/42/524016942.db2.gz LIJLLZKKZHYKNP-UHFFFAOYSA-N -1 1 408.548 5.635 50 0 HKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1C ZINC000033169129 524325127 /nfs/dbraw/zinc/32/51/27/524325127.db2.gz AROJNBFVPHLBSC-UHFFFAOYSA-N -1 1 422.575 5.998 50 0 HKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1 ZINC000033169131 518409185 /nfs/dbraw/zinc/40/91/85/518409185.db2.gz CEGUZEZAOUFJTI-UHFFFAOYSA-N -1 1 422.531 5.275 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2C)cc1F ZINC000033169133 525595330 /nfs/dbraw/zinc/59/53/30/525595330.db2.gz WODOKTPPWZATFR-UHFFFAOYSA-N -1 1 412.511 5.520 50 0 HKAAMM Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000033169134 526054874 /nfs/dbraw/zinc/05/48/74/526054874.db2.gz RTYTXHWDSKLZSG-UHFFFAOYSA-N -1 1 420.559 5.561 50 0 HKAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169142 521412920 /nfs/dbraw/zinc/41/29/20/521412920.db2.gz LBWNGARBRYCFBK-UHFFFAOYSA-N -1 1 408.548 5.717 50 0 HKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169144 519046359 /nfs/dbraw/zinc/04/63/59/519046359.db2.gz IBQAGAMYXHQGNF-UHFFFAOYSA-N -1 1 422.575 6.062 50 0 HKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000033169146 519838724 /nfs/dbraw/zinc/83/87/24/519838724.db2.gz SMCOWBJZAQGACJ-UHFFFAOYSA-N -1 1 408.548 5.888 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)CCC2 ZINC000033169150 527245922 /nfs/dbraw/zinc/24/59/22/527245922.db2.gz JQTKNKACZWLDSN-UHFFFAOYSA-N -1 1 406.532 5.253 50 0 HKAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000033169159 526244110 /nfs/dbraw/zinc/24/41/10/526244110.db2.gz CHZUCJLNWGCKFH-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(C)cc4C)cc3)sc2c1 ZINC000033169168 526242208 /nfs/dbraw/zinc/24/22/08/526242208.db2.gz YLJDDIYDXNONMN-UHFFFAOYSA-N -1 1 422.575 5.998 50 0 HKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000033169169 518409596 /nfs/dbraw/zinc/40/95/96/518409596.db2.gz IOIRYVSVMIMXII-UHFFFAOYSA-N -1 1 422.531 5.275 50 0 HKAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000033169170 521930284 /nfs/dbraw/zinc/93/02/84/521930284.db2.gz ONSLCNYMQHLZDS-UHFFFAOYSA-N -1 1 408.548 5.635 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)cc(C)c4)cc3)sc2c1 ZINC000033169171 526242178 /nfs/dbraw/zinc/24/21/78/526242178.db2.gz WAFNYDLTUUNQLH-UHFFFAOYSA-N -1 1 408.548 5.689 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)cc3)sc2c1 ZINC000033169172 526242167 /nfs/dbraw/zinc/24/21/67/526242167.db2.gz VTJRCVIWTAFEOG-UHFFFAOYSA-N -1 1 412.511 5.520 50 0 HKAAMM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCC5)cc3)sc2c1 ZINC000033169173 526242506 /nfs/dbraw/zinc/24/25/06/526242506.db2.gz ZVWGUEDXXMHMDR-UHFFFAOYSA-N -1 1 420.559 5.561 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)sc2c1 ZINC000033169187 558898979 /nfs/dbraw/zinc/89/89/79/558898979.db2.gz RDFASKFJWKVBDO-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)sc2c1 ZINC000033169202 558899030 /nfs/dbraw/zinc/89/90/30/558899030.db2.gz QVGSLHKWEYNPHM-UHFFFAOYSA-N -1 1 424.547 5.390 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)sc2c1 ZINC000033169215 569059294 /nfs/dbraw/zinc/05/92/94/569059294.db2.gz GDMXCGOEGCYGAP-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)cc(C)c4)cc3)sc2c1 ZINC000033169220 558897934 /nfs/dbraw/zinc/89/79/34/558897934.db2.gz CPCPLRDTRJNPCC-UHFFFAOYSA-N -1 1 424.547 5.390 50 0 HKAAMM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)cc1)c1ccc(F)cc1 ZINC000033169236 558897964 /nfs/dbraw/zinc/89/79/64/558897964.db2.gz CLVATKDYVQOXDJ-UHFFFAOYSA-N -1 1 418.902 5.557 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1 ZINC000033169239 568511595 /nfs/dbraw/zinc/51/15/95/568511595.db2.gz UIRHWEVCSTVKLZ-UHFFFAOYSA-N -1 1 414.939 5.726 50 0 HKAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(C)s2)sc1C 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CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000033173615 558901830 /nfs/dbraw/zinc/90/18/30/558901830.db2.gz QNKUUHWHCNWIRL-UHFFFAOYSA-N -1 1 424.444 5.340 50 0 HKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000033173621 558901775 /nfs/dbraw/zinc/90/17/75/558901775.db2.gz DMRPHQVGVSEQBU-UHFFFAOYSA-N -1 1 424.444 5.340 50 0 HKAAMM O=C1[N-]C(=S)SC1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000033248073 558916797 /nfs/dbraw/zinc/91/67/97/558916797.db2.gz NUYAQJFXSJWDFC-IDUWFGFVSA-N -1 1 419.358 6.326 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)c(C)c3)sc2c1 ZINC000033289287 568513599 /nfs/dbraw/zinc/51/35/99/568513599.db2.gz RWNPLLXEPYEYDX-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4C)cc3)sc2c1 ZINC000033289332 559046610 /nfs/dbraw/zinc/04/66/10/559046610.db2.gz OHCMPOVFEHSEHZ-UHFFFAOYSA-N -1 1 410.520 5.081 50 0 HKAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c(C)s2)sc1C ZINC000033290071 559047031 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Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)c2)sc1C ZINC000033297677 568513202 /nfs/dbraw/zinc/51/32/02/568513202.db2.gz CZKXTAZCHGDLDQ-UHFFFAOYSA-N -1 1 419.380 5.596 50 0 HKAAMM CC(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c2)n1 ZINC000033297729 559047568 /nfs/dbraw/zinc/04/75/68/559047568.db2.gz GMHVIWQMVBPUFN-UHFFFAOYSA-N -1 1 416.952 5.588 50 0 HKAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033298844 559048167 /nfs/dbraw/zinc/04/81/67/559048167.db2.gz VWDBHUGDUINMCG-UHFFFAOYSA-N -1 1 402.925 5.002 50 0 HKAAMM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000033299205 559048377 /nfs/dbraw/zinc/04/83/77/559048377.db2.gz YHBQHUDPDKGHIK-UHFFFAOYSA-N -1 1 424.444 5.340 50 0 HKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000033299241 568513350 /nfs/dbraw/zinc/51/33/50/568513350.db2.gz WIGUMNDHYJOJCA-UHFFFAOYSA-N -1 1 416.446 5.148 50 0 HKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000033299242 559050464 /nfs/dbraw/zinc/05/04/64/559050464.db2.gz QTHHLZMQYINLCN-UHFFFAOYSA-N -1 1 416.446 5.148 50 0 HKAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)cc1 ZINC000033299244 559050632 /nfs/dbraw/zinc/05/06/32/559050632.db2.gz ZVZSWVCJWOTDDH-UHFFFAOYSA-N -1 1 416.446 5.094 50 0 HKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000033299263 559049251 /nfs/dbraw/zinc/04/92/51/559049251.db2.gz VMXMWIPPOITXIS-UHFFFAOYSA-N -1 1 416.446 5.148 50 0 HKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000033299264 568513277 /nfs/dbraw/zinc/51/32/77/568513277.db2.gz ICJDIYGGZWVWLM-UHFFFAOYSA-N -1 1 416.446 5.148 50 0 HKAAMM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000033299269 559049261 /nfs/dbraw/zinc/04/92/61/559049261.db2.gz FUGNPOHHFUNMPQ-UHFFFAOYSA-N -1 1 416.446 5.148 50 0 HKAAMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1c(F)cccc1Cl ZINC000033314218 559055259 /nfs/dbraw/zinc/05/52/59/559055259.db2.gz SFUSUXWTKWNKKX-PXNMLYILSA-N -1 1 409.891 5.396 50 0 HKAAMM CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000033345252 558767462 /nfs/dbraw/zinc/76/74/62/558767462.db2.gz WKYZONUJRJWSBM-CPNJWEJPSA-N -1 1 421.547 5.657 50 0 HKAAMM O=C1[N-]C(=S)SC1=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000033595716 559217252 /nfs/dbraw/zinc/21/72/52/559217252.db2.gz ROHIPGIFRVDPOP-IUXPMGMMSA-N -1 1 419.358 6.326 50 0 HKAAMM CC(C)=CCc1c(=O)c2c([O-])c(-c3ccc(O)cc3O)coc-2c2c1OC(C)(C)C=C2 ZINC000035464242 291286739 /nfs/dbraw/zinc/28/67/39/291286739.db2.gz ZSSVYEUXLNVQMH-UHFFFAOYSA-N -1 1 420.461 5.270 50 0 biogenic,in-vitro HKAAMM Cc1oc(-c2ccccc2)nc1CSc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000035480759 569039370 /nfs/dbraw/zinc/03/93/70/569039370.db2.gz VICCVQMIKUZVPG-UHFFFAOYSA-N -1 1 403.507 5.337 50 0 HKAAMM Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(-c2cccnc2)cc(=O)[n-]1 ZINC000035480781 569039367 /nfs/dbraw/zinc/03/93/67/569039367.db2.gz ZRUJHDWTYBIATG-UHFFFAOYSA-N -1 1 410.886 5.153 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c(Cl)c1 ZINC000035557486 569044741 /nfs/dbraw/zinc/04/47/41/569044741.db2.gz MZNAQYNCGXQSOZ-UHFFFAOYSA-N -1 1 423.947 5.218 50 0 HKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000035671463 569048507 /nfs/dbraw/zinc/04/85/07/569048507.db2.gz FFYJURHEWKEPCG-UHFFFAOYSA-N -1 1 408.508 5.046 50 0 HKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccc(C)cc2)s1 ZINC000035671465 569048469 /nfs/dbraw/zinc/04/84/69/569048469.db2.gz IXHPBNALOLEKGG-UHFFFAOYSA-N -1 1 422.535 5.355 50 0 HKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1nnc(SCc2ccccc2C)s1 ZINC000035671467 569048517 /nfs/dbraw/zinc/04/85/17/569048517.db2.gz QMFVDXUEMAAOAO-UHFFFAOYSA-N -1 1 422.535 5.355 50 0 HKAAMM CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000036201720 569109491 /nfs/dbraw/zinc/10/94/91/569109491.db2.gz JFMAHYPOVHLMBU-INIZCTEOSA-N -1 1 421.975 5.202 50 0 HKAAMM CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1N([O-])C(=O)Nc1cccc(Cl)c1 ZINC000036201723 569109416 /nfs/dbraw/zinc/10/94/16/569109416.db2.gz JFMAHYPOVHLMBU-MRXNPFEDSA-N -1 1 421.975 5.202 50 0 HKAAMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc([O-])c(-c2nc3cnccc3o2)c1 ZINC000036360293 569151497 /nfs/dbraw/zinc/15/14/97/569151497.db2.gz SQPXWHQTLKYZGV-UHFFFAOYSA-N -1 1 423.856 5.045 50 0 HKAAMM O=C(Nc1ccc([O-])c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1 ZINC000036360648 569151834 /nfs/dbraw/zinc/15/18/34/569151834.db2.gz PGMYNDATTNCVIF-UHFFFAOYSA-N -1 1 407.429 5.515 50 0 HKAAMM O=C(Nc1ccc(-c2nc3cnccc3o2)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000036365119 569152144 /nfs/dbraw/zinc/15/21/44/569152144.db2.gz OOAARUCMSAKVKP-UHFFFAOYSA-N -1 1 400.221 5.155 50 0 HKAAMM CCCCOc1cccc(C(=O)Nc2ccc([O-])c(-c3nc4cnccc4o3)c2)c1 ZINC000036366712 569152668 /nfs/dbraw/zinc/15/26/68/569152668.db2.gz WGBOKQVVOLTBAP-UHFFFAOYSA-N -1 1 403.438 5.027 50 0 HKAAMM Cc1ccc(NC(=O)c2cccc3ccccc32)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000036397445 569170539 /nfs/dbraw/zinc/17/05/39/569170539.db2.gz GSEOFXZRENSQCY-UHFFFAOYSA-N -1 1 416.502 5.201 50 0 HKAAMM Cc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3nc(-c4ccccc4)[n-]c(=O)c32)cc1 ZINC000036401865 569172305 /nfs/dbraw/zinc/17/23/05/569172305.db2.gz UVDJTJNEUZJADD-HSZRJFAPSA-N -1 1 416.480 6.184 50 0 HKAAMM Cc1ccc([C@H]2c3c(ccc4ccccc43)Oc3nc(-c4ccccc4)[n-]c(=O)c32)cc1 ZINC000036401866 569172575 /nfs/dbraw/zinc/17/25/75/569172575.db2.gz UVDJTJNEUZJADD-QHCPKHFHSA-N -1 1 416.480 6.184 50 0 HKAAMM COc1ccc(-c2nnc([N-]C(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 ZINC000039759123 571134353 /nfs/dbraw/zinc/13/43/53/571134353.db2.gz IFVRQWKVYGRKJK-UHFFFAOYSA-N -1 1 415.927 5.643 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000040017138 571138814 /nfs/dbraw/zinc/13/88/14/571138814.db2.gz SIIQAHVQGPFSND-UHFFFAOYSA-N -1 1 415.522 5.298 50 0 HKAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000040068228 571148977 /nfs/dbraw/zinc/14/89/77/571148977.db2.gz OVYJFZCWOKRLRO-UHFFFAOYSA-N -1 1 422.554 5.266 50 0 HKAAMM Cc1ccc(-c2noc(CSc3nc(C)c(Cc4ccccc4)c(=O)[n-]3)n2)cc1C ZINC000044169038 525882731 /nfs/dbraw/zinc/88/27/31/525882731.db2.gz 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C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(=S)[n-]nc1-c1cccs1 ZINC000062580244 560631393 /nfs/dbraw/zinc/63/13/93/560631393.db2.gz AYPDBPAAJWQRBS-ZDUSSCGKSA-N -1 1 414.556 5.190 50 0 HKAAMM C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(=S)[n-]nc1-c1cccs1 ZINC000062580245 560631383 /nfs/dbraw/zinc/63/13/83/560631383.db2.gz AYPDBPAAJWQRBS-CYBMUJFWSA-N -1 1 414.556 5.190 50 0 HKAAMM Cc1c(S(=O)(=O)[N-]c2ccccc2C)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668069 569078573 /nfs/dbraw/zinc/07/85/73/569078573.db2.gz AUKFDCOGMBMSHH-UHFFFAOYSA-N -1 1 423.563 5.233 50 0 HKAAMM Cc1c(S(=O)(=O)[N-]c2ccc(C)cc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668090 569078625 /nfs/dbraw/zinc/07/86/25/569078625.db2.gz OTOPVZPCLYQIJP-UHFFFAOYSA-N -1 1 423.563 5.233 50 0 HKAAMM Cc1c(S(=O)(=O)[N-]c2cccc(C)c2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668098 569078619 /nfs/dbraw/zinc/07/86/19/569078619.db2.gz FEFMWCGUCGOGEV-UHFFFAOYSA-N -1 1 423.563 5.233 50 0 HKAAMM COc1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000064669936 569079057 /nfs/dbraw/zinc/07/90/57/569079057.db2.gz XRVNBCDBGMYHLA-UHFFFAOYSA-N -1 1 402.541 5.051 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cs1 ZINC000064669942 569079108 /nfs/dbraw/zinc/07/91/08/569079108.db2.gz QMRJLMDHHVVACQ-UHFFFAOYSA-N -1 1 406.960 5.696 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cs1 ZINC000064669969 569079064 /nfs/dbraw/zinc/07/90/64/569079064.db2.gz QLIBVMPEPMRAMD-UHFFFAOYSA-N -1 1 400.569 5.660 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)cs1 ZINC000064669985 569079014 /nfs/dbraw/zinc/07/90/14/569079014.db2.gz JCUYVGIIMSXMMI-UHFFFAOYSA-N -1 1 404.532 5.490 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)cs1 ZINC000064669992 569079088 /nfs/dbraw/zinc/07/90/88/569079088.db2.gz AVRRDXWYBVDBHP-UHFFFAOYSA-N -1 1 408.495 5.321 50 0 HKAAMM Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000064837453 569104629 /nfs/dbraw/zinc/10/46/29/569104629.db2.gz DIVIXEUVRALMTK-UHFFFAOYSA-N -1 1 410.417 5.086 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(Cl)c1 ZINC000065004381 569152507 /nfs/dbraw/zinc/15/25/07/569152507.db2.gz RSRZWPPQLKPVKG-UHFFFAOYSA-N -1 1 408.932 5.433 50 0 HKAAMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004498 569152460 /nfs/dbraw/zinc/15/24/60/569152460.db2.gz VNZJVLJGFKZFCX-UHFFFAOYSA-N -1 1 412.895 5.264 50 0 HKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c(Cl)c1 ZINC000065004732 558969506 /nfs/dbraw/zinc/96/95/06/558969506.db2.gz TVRPJDSIMULUCZ-UHFFFAOYSA-N -1 1 422.959 5.823 50 0 HKAAMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004861 558969608 /nfs/dbraw/zinc/96/96/08/558969608.db2.gz IHKOBDIPSKGWKD-UHFFFAOYSA-N -1 1 408.932 5.515 50 0 HKAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)cc1 ZINC000065060142 569163886 /nfs/dbraw/zinc/16/38/86/569163886.db2.gz KPRRYYJDRAQVST-UHFFFAOYSA-N -1 1 414.552 5.245 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cs1 ZINC000065060143 569163902 /nfs/dbraw/zinc/16/39/02/569163902.db2.gz YCQPXYWCEDKKKC-UHFFFAOYSA-N -1 1 406.960 5.696 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cs1 ZINC000065060148 569163918 /nfs/dbraw/zinc/16/39/18/569163918.db2.gz WNJXHBMCHQCLDV-UHFFFAOYSA-N -1 1 400.569 5.660 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3c(C)cccc3C)c2)cs1 ZINC000065060149 569163983 /nfs/dbraw/zinc/16/39/83/569163983.db2.gz FYUWSOHMYLVBRH-UHFFFAOYSA-N -1 1 400.569 5.660 50 0 HKAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000065060163 569163879 /nfs/dbraw/zinc/16/38/79/569163879.db2.gz WDKGOWNWCFXAKY-UHFFFAOYSA-N -1 1 414.552 5.245 50 0 HKAAMM Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)cs1 ZINC000065060172 569163963 /nfs/dbraw/zinc/16/39/63/569163963.db2.gz PHGGQYIALNQRLI-UHFFFAOYSA-N -1 1 404.532 5.490 50 0 HKAAMM Cc1ccccc1-c1noc(CSc2nc(-c3cccc(Cl)c3)cc(=O)[n-]2)n1 ZINC000065330947 569225088 /nfs/dbraw/zinc/22/50/88/569225088.db2.gz GCHXSULDRJDRMZ-UHFFFAOYSA-N -1 1 410.886 5.153 50 0 HKAAMM Cc1cccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)c1 ZINC000065330948 569225150 /nfs/dbraw/zinc/22/51/50/569225150.db2.gz NNIQDZMMKNGMMB-UHFFFAOYSA-N -1 1 410.886 5.153 50 0 HKAAMM CCc1ccc(-c2noc(CSc3nc(-c4cccc(Cl)c4)cc(=O)[n-]3)n2)cc1 ZINC000065330954 569225223 /nfs/dbraw/zinc/22/52/23/569225223.db2.gz ALIMHPZQEKIJMO-UHFFFAOYSA-N -1 1 424.913 5.407 50 0 HKAAMM CC(C)(C)c1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)cc1 ZINC000065330975 569225234 /nfs/dbraw/zinc/22/52/34/569225234.db2.gz WYILVJQZLDTIEL-UHFFFAOYSA-N -1 1 418.522 5.489 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C(C)C)c2)nc1 ZINC000067294237 571069727 /nfs/dbraw/zinc/06/97/27/571069727.db2.gz KUCSHTYICBDQHY-RFBIWTDZSA-N -1 1 413.477 5.450 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C(C)C)cc2)nc1 ZINC000067294238 571069759 /nfs/dbraw/zinc/06/97/59/571069759.db2.gz MYSNOGBCAUWJMV-RFBIWTDZSA-N -1 1 413.477 5.450 50 0 HKAAMM CSc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067294278 571069810 /nfs/dbraw/zinc/06/98/10/571069810.db2.gz GEBBCZYHGIPDKX-BZZOAKBMSA-N -1 1 417.490 5.048 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(F)cc2Cl)nc1 ZINC000067294347 571069697 /nfs/dbraw/zinc/06/96/97/571069697.db2.gz SAJGKNUSNRSXIW-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(F)c(Cl)c2)nc1 ZINC000067294355 571069835 /nfs/dbraw/zinc/06/98/35/571069835.db2.gz XLGHQTWQXVIMKD-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(Cl)c2F)nc1 ZINC000067294361 571069891 /nfs/dbraw/zinc/06/98/91/571069891.db2.gz RVURMVHEKCTXAX-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(Cl)cc2F)nc1 ZINC000067294362 571069769 /nfs/dbraw/zinc/06/97/69/571069769.db2.gz DABOXKXWJBISFS-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(Cl)c2C)nc1 ZINC000067294395 571069765 /nfs/dbraw/zinc/06/97/65/571069765.db2.gz RLSACNLYINSYTB-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(Cl)cc2C)nc1 ZINC000067294396 571069755 /nfs/dbraw/zinc/06/97/55/571069755.db2.gz KXRNIEHPSSSYBM-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cc(Cl)ccc2C)nc1 ZINC000067294398 571069873 /nfs/dbraw/zinc/06/98/73/571069873.db2.gz BNXUPDURGKMXPF-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C)cc2Cl)nc1 ZINC000067294404 571069842 /nfs/dbraw/zinc/06/98/42/571069842.db2.gz DJDXIQYJEDROIN-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C)c(Cl)c2)nc1 ZINC000067294408 571069714 /nfs/dbraw/zinc/06/97/14/571069714.db2.gz MZHQPHBXHXHVAV-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM CSc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 ZINC000067294418 571069662 /nfs/dbraw/zinc/06/96/62/571069662.db2.gz XDPZMZDZCQJGOZ-BZZOAKBMSA-N -1 1 417.490 5.048 50 0 HKAAMM Cc1ccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(Cl)c(C)c2)nc1 ZINC000067294431 571070154 /nfs/dbraw/zinc/07/01/54/571070154.db2.gz RGORRJPNSDSCRT-RWEWTDSWSA-N -1 1 419.868 5.288 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C(C)C)cc2)n1 ZINC000067297831 571072228 /nfs/dbraw/zinc/07/22/28/571072228.db2.gz KGDQEELTWGRHFN-RFBIWTDZSA-N -1 1 413.477 5.450 50 0 HKAAMM CSc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)n2)c1 ZINC000067297871 571072142 /nfs/dbraw/zinc/07/21/42/571072142.db2.gz ZAZCEDBPVQYQHW-BZZOAKBMSA-N -1 1 417.490 5.048 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(F)cc2Cl)n1 ZINC000067297939 571072114 /nfs/dbraw/zinc/07/21/14/571072114.db2.gz HTFBMOHCOMMVPZ-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cc(F)ccc2Cl)n1 ZINC000067297944 571072003 /nfs/dbraw/zinc/07/20/03/571072003.db2.gz CIXJILRJGVFJMI-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(F)c(Cl)c2)n1 ZINC000067297948 571072151 /nfs/dbraw/zinc/07/21/51/571072151.db2.gz AKKHLJXRQCBPAQ-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(Cl)c2F)n1 ZINC000067297954 571072012 /nfs/dbraw/zinc/07/20/12/571072012.db2.gz WVDNPZDBLCRXFQ-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(Cl)cc2F)n1 ZINC000067297958 571072107 /nfs/dbraw/zinc/07/21/07/571072107.db2.gz QJSHWYOZQVUFCT-ROMGYVFFSA-N -1 1 423.831 5.119 50 0 HKAAMM CC(C)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298014 571072185 /nfs/dbraw/zinc/07/21/85/571072185.db2.gz FCAJYKJJCVXECH-FLFQWRMESA-N -1 1 405.479 5.203 50 0 HKAAMM CC(C)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298018 571072101 /nfs/dbraw/zinc/07/21/01/571072101.db2.gz CNAMDMVWFJGEQJ-FLFQWRMESA-N -1 1 405.479 5.203 50 0 HKAAMM Cc1c(Cl)cccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1 ZINC000067298202 571072254 /nfs/dbraw/zinc/07/22/54/571072254.db2.gz IINBTQJNDDZXBV-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM Cc1cc(Cl)ccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1 ZINC000067298204 571072156 /nfs/dbraw/zinc/07/21/56/571072156.db2.gz CKWASFORAJQMCB-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM Cc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1nccs1 ZINC000067298208 571072174 /nfs/dbraw/zinc/07/21/74/571072174.db2.gz OTRVMLIDBXPEHA-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c(Cl)c1 ZINC000067298216 571072023 /nfs/dbraw/zinc/07/20/23/571072023.db2.gz RMDCEJOEJBJUKO-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1Cl ZINC000067298218 571072136 /nfs/dbraw/zinc/07/21/36/571072136.db2.gz OOANMIACVWIQOG-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM Cc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)ccc1Cl ZINC000067298237 571072534 /nfs/dbraw/zinc/07/25/34/571072534.db2.gz TZOYZPZDXDWTTQ-NMWGTECJSA-N -1 1 411.870 5.041 50 0 HKAAMM CC(C)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299179 571072997 /nfs/dbraw/zinc/07/29/97/571072997.db2.gz JTGFGZDYXGTPCT-LCUIJRPUSA-N -1 1 402.450 5.017 50 0 HKAAMM CCCCCCc1cc2cc(-c3nnc(-c4cccc(C)c4)o3)c(=O)oc2cc1[O-] ZINC000069871444 571247366 /nfs/dbraw/zinc/24/73/66/571247366.db2.gz CSOZORHZNZDYJO-UHFFFAOYSA-N -1 1 404.466 5.647 50 0 HKAAMM CCCCCCc1cc2cc(-c3n[nH]c(-c4cccc(OC)c4)n3)c(=O)oc2cc1[O-] ZINC000069967613 571251681 /nfs/dbraw/zinc/25/16/81/571251681.db2.gz CWODQDMYPGUEKT-UHFFFAOYSA-N -1 1 419.481 5.082 50 0 HKAAMM O=C([N-]c1nnc(SCc2ccccc2Cl)s1)c1nc2ccccc2s1 ZINC000070635067 571270325 /nfs/dbraw/zinc/27/03/25/571270325.db2.gz BMYXLYTWVPYVTI-UHFFFAOYSA-N -1 1 418.956 5.346 50 0 HKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)ccc1OC(F)F ZINC000071285725 569252207 /nfs/dbraw/zinc/25/22/07/569252207.db2.gz FXVZXBIOQQEING-INIZCTEOSA-N -1 1 409.458 5.200 50 0 HKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCC2)ccc1OC(F)F ZINC000071285726 569252160 /nfs/dbraw/zinc/25/21/60/569252160.db2.gz FXVZXBIOQQEING-MRXNPFEDSA-N -1 1 409.458 5.200 50 0 HKAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc(OC)c1O ZINC000071286934 569252302 /nfs/dbraw/zinc/25/23/02/569252302.db2.gz OLZASNDMUCONAW-IBGZPJMESA-N -1 1 417.531 5.093 50 0 HKAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C2CCCCCC2)cc(OC)c1O ZINC000071286936 569252279 /nfs/dbraw/zinc/25/22/79/569252279.db2.gz OLZASNDMUCONAW-LJQANCHMSA-N -1 1 417.531 5.093 50 0 HKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000072290775 559078450 /nfs/dbraw/zinc/07/84/50/559078450.db2.gz IERBRIWJGHDIKD-GOSISDBHSA-N -1 1 410.543 5.043 50 0 HKAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000072290776 558724891 /nfs/dbraw/zinc/72/48/91/558724891.db2.gz IERBRIWJGHDIKD-SFHVURJKSA-N -1 1 410.543 5.043 50 0 HKAAMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3Nc3ccc(C)cc3)cc2)co1 ZINC000078873628 560540514 /nfs/dbraw/zinc/54/05/14/560540514.db2.gz QJHLTLXKKHHIDQ-UHFFFAOYSA-N -1 1 419.506 5.503 50 0 HKAAMM [O-]c1c(Br)cc(Br)cc1/C=C\c1ccc2cccc(O)c2n1 ZINC000083330320 568914967 /nfs/dbraw/zinc/91/49/67/568914967.db2.gz RPWDPJBSGSHYCB-ALCCZGGFSA-N -1 1 421.088 5.341 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)S1 ZINC000085411834 568986068 /nfs/dbraw/zinc/98/60/68/568986068.db2.gz LPOFSJAKTQUDBK-KRWDZBQOSA-N -1 1 409.477 5.977 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)S1 ZINC000085411838 568986143 /nfs/dbraw/zinc/98/61/43/568986143.db2.gz LPOFSJAKTQUDBK-QGZVFWFLSA-N -1 1 409.477 5.977 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000085411996 568986126 /nfs/dbraw/zinc/98/61/26/568986126.db2.gz OEKNJISUYSTUHL-KRWDZBQOSA-N -1 1 410.370 6.265 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000085411999 568986156 /nfs/dbraw/zinc/98/61/56/568986156.db2.gz OEKNJISUYSTUHL-QGZVFWFLSA-N -1 1 410.370 6.265 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(OCc3ccccc3F)cc2)S1 ZINC000085412256 568986267 /nfs/dbraw/zinc/98/62/67/568986267.db2.gz LYJNKEJWRFZTBD-FQEVSTJZSA-N -1 1 411.502 5.362 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3F)cc2)S1 ZINC000085412258 568986298 /nfs/dbraw/zinc/98/62/98/568986298.db2.gz LYJNKEJWRFZTBD-HXUWFJFHSA-N -1 1 411.502 5.362 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2F)S1 ZINC000085412265 568986253 /nfs/dbraw/zinc/98/62/53/568986253.db2.gz XIEAMKGPTGTQND-FQEVSTJZSA-N -1 1 411.502 5.362 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2F)S1 ZINC000085412269 568986331 /nfs/dbraw/zinc/98/63/31/568986331.db2.gz XIEAMKGPTGTQND-HXUWFJFHSA-N -1 1 411.502 5.362 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccccc2OCc2ccc(F)cc2)S1 ZINC000085412354 568986284 /nfs/dbraw/zinc/98/62/84/568986284.db2.gz RWZPEQJKRRWZMG-FQEVSTJZSA-N -1 1 411.502 5.362 50 0 HKAAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccccc2OCc2ccc(F)cc2)S1 ZINC000085412357 568986194 /nfs/dbraw/zinc/98/61/94/568986194.db2.gz RWZPEQJKRRWZMG-HXUWFJFHSA-N -1 1 411.502 5.362 50 0 HKAAMM COc1cc(-c2n[n-]c(=S)n2Cc2ccccc2)ccc1OCc1ccccc1 ZINC000095929456 568660512 /nfs/dbraw/zinc/66/05/12/568660512.db2.gz VRGXLKOJXUOEBE-UHFFFAOYSA-N -1 1 403.507 5.244 50 0 HKAAMM O=C([N-]c1nnc(C2CC2)s1)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000095948822 568665610 /nfs/dbraw/zinc/66/56/10/568665610.db2.gz OCKRMZITFBUZCQ-UHFFFAOYSA-N -1 1 403.838 5.555 50 0 HKAAMM O=C([N-]c1c2nsnc2c(Cl)cc1Cl)c1sc2ccccc2c1Cl ZINC000096190231 568703389 /nfs/dbraw/zinc/70/33/89/568703389.db2.gz AQNDPEHNRCYTQZ-UHFFFAOYSA-N -1 1 414.726 6.119 50 0 HKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(C)C)sc3c2)cc1 ZINC000096399462 568748003 /nfs/dbraw/zinc/74/80/03/568748003.db2.gz RABSIEUAWOLQKL-UHFFFAOYSA-N -1 1 420.581 5.048 50 0 HKAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000096399588 568747864 /nfs/dbraw/zinc/74/78/64/568747864.db2.gz GBPQSHYZNVHLSU-UHFFFAOYSA-N -1 1 418.487 5.228 50 0 HKAAMM CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2s1 ZINC000096399590 568747960 /nfs/dbraw/zinc/74/79/60/568747960.db2.gz UMIHKFSLHBCWGI-UHFFFAOYSA-N -1 1 419.380 5.516 50 0 HKAAMM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000096399616 568748187 /nfs/dbraw/zinc/74/81/87/568748187.db2.gz OSRUJEJBQRQFAU-UHFFFAOYSA-N -1 1 416.952 5.390 50 0 HKAAMM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2s1 ZINC000096399617 568748196 /nfs/dbraw/zinc/74/81/96/568748196.db2.gz DEKGAMDNYXNINY-UHFFFAOYSA-N -1 1 404.582 5.086 50 0 HKAAMM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000096399626 568748172 /nfs/dbraw/zinc/74/81/72/568748172.db2.gz HZTVSDSPOAQVRC-UHFFFAOYSA-N -1 1 414.524 5.123 50 0 HKAAMM Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)c1 ZINC000096562281 568760302 /nfs/dbraw/zinc/76/03/02/568760302.db2.gz OTTAFZZIFZOYRD-UHFFFAOYSA-N -1 1 416.502 5.201 50 0 HKAAMM Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)c2ccccc12 ZINC000096564703 568760859 /nfs/dbraw/zinc/76/08/59/568760859.db2.gz PJHJKVXIJATOQA-UHFFFAOYSA-N -1 1 410.498 6.383 50 0 HKAAMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000096580120 568762265 /nfs/dbraw/zinc/76/22/65/568762265.db2.gz GQSLHPLGBOSSMO-UHFFFAOYSA-N -1 1 416.502 5.201 50 0 HKAAMM CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072807 559126412 /nfs/dbraw/zinc/12/64/12/559126412.db2.gz HSEMNVNBWROTGB-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072937 559126449 /nfs/dbraw/zinc/12/64/49/559126449.db2.gz VRSQCMAERXRNRO-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072941 559126453 /nfs/dbraw/zinc/12/64/53/559126453.db2.gz DPENHLSKOCLVKF-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072951 559126658 /nfs/dbraw/zinc/12/66/58/559126658.db2.gz BWCVUYGCXRUONP-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM CC(C)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098072969 559126647 /nfs/dbraw/zinc/12/66/47/559126647.db2.gz AQDURXIISCBMHN-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM CC(C)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098073042 559126684 /nfs/dbraw/zinc/12/66/84/559126684.db2.gz VXPVDUZHJIXGOK-UHFFFAOYSA-N -1 1 422.266 5.392 50 0 HKAAMM Cc1ccc(-c2csc(-c3cc4cc(Br)ccc4o/c3=N\[O-])n2)cc1 ZINC000100571065 559136714 /nfs/dbraw/zinc/13/67/14/559136714.db2.gz NJIQWYQHGGNAJA-PYCFMQQDSA-N -1 1 413.296 5.584 50 0 HKAAMM COc1cccc(C([O-])=C(C(C)=O)[C@@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942938 560763488 /nfs/dbraw/zinc/76/34/88/560763488.db2.gz MGKOJWCFINKESS-XZOQPEGZSA-N -1 1 406.865 5.674 50 0 HKAAMM COc1cccc(C([O-])=C(C(C)=O)[C@@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942942 560763508 /nfs/dbraw/zinc/76/35/08/560763508.db2.gz MGKOJWCFINKESS-DHIUTWEWSA-N -1 1 406.865 5.674 50 0 HKAAMM COc1cccc(C([O-])=C(C(C)=O)[C@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942948 560763497 /nfs/dbraw/zinc/76/34/97/560763497.db2.gz MGKOJWCFINKESS-GOTSBHOMSA-N -1 1 406.865 5.674 50 0 HKAAMM COc1cccc(C([O-])=C(C(C)=O)[C@H]2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000100942955 560763570 /nfs/dbraw/zinc/76/35/70/560763570.db2.gz MGKOJWCFINKESS-PKTZIBPZSA-N -1 1 406.865 5.674 50 0 HKAAMM Cc1ccc2c(c1)-c1c([n-]n(-c3ccc(-c4ccccc4)cc3)c1=S)C(C)(C)S2 ZINC000137070453 568828304 /nfs/dbraw/zinc/82/83/04/568828304.db2.gz ROTCBPCLVNHEGD-UHFFFAOYSA-N -1 1 414.599 7.518 50 0 HKAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000138449506 569108307 /nfs/dbraw/zinc/10/83/07/569108307.db2.gz JYBFWVDKZFVLNR-OAQYLSRUSA-N -1 1 406.507 5.078 50 0 HKAAMM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc2ccccc2cc1[O-] ZINC000170627139 569250289 /nfs/dbraw/zinc/25/02/89/569250289.db2.gz UUMPYTFRULNKAK-LJAQVGFWSA-N -1 1 401.487 5.106 50 0 HKAAMM O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc2ccccc2cc1[O-] ZINC000170627140 569250338 /nfs/dbraw/zinc/25/03/38/569250338.db2.gz UUMPYTFRULNKAK-GDLZYMKVSA-N -1 1 401.487 5.106 50 0 HKAAMM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000198233267 569318661 /nfs/dbraw/zinc/31/86/61/569318661.db2.gz PVPIUEVXUHMDDF-OAQYLSRUSA-N -1 1 423.490 5.029 50 0 HKAAMM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3S2)cc1OC ZINC000198233278 569318649 /nfs/dbraw/zinc/31/86/49/569318649.db2.gz PVPIUEVXUHMDDF-NRFANRHFSA-N -1 1 423.490 5.029 50 0 HKAAMM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(N(C)C)cc3)C2)c(=O)o1 ZINC000198444778 569318653 /nfs/dbraw/zinc/31/86/53/569318653.db2.gz JYBFWVDKZFVLNR-NRFANRHFSA-N -1 1 406.507 5.078 50 0 HKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 ZINC000208006005 569286898 /nfs/dbraw/zinc/28/68/98/569286898.db2.gz CZIFTEWIZICQJM-UHFFFAOYSA-N -1 1 422.535 5.058 50 0 HKAAMM Cc1ccc(-c2csc(-c3cc4cc(Br)ccc4oc3=N[O-])n2)cc1 ZINC000252671404 569319361 /nfs/dbraw/zinc/31/93/61/569319361.db2.gz NJIQWYQHGGNAJA-UHFFFAOYSA-N -1 1 413.296 5.584 50 0 HKAAMM O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253408873 569388896 /nfs/dbraw/zinc/38/88/96/569388896.db2.gz LDYBRQNJZFAEMO-AWEZNQCLSA-N -1 1 424.861 5.322 50 0 HKAAMM O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc2-3)O1 ZINC000253408878 569388923 /nfs/dbraw/zinc/38/89/23/569388923.db2.gz LDYBRQNJZFAEMO-CQSZACIVSA-N -1 1 424.861 5.322 50 0 HKAAMM O=C1C[C@@H](C2CCCCC2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253411019 569366550 /nfs/dbraw/zinc/36/65/50/569366550.db2.gz OCAVICKDMVNGDY-INIZCTEOSA-N -1 1 424.880 5.792 50 0 biogenic HKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](C1CCCCC1)CC(=O)O2 ZINC000253411019 569366551 /nfs/dbraw/zinc/36/65/51/569366551.db2.gz OCAVICKDMVNGDY-INIZCTEOSA-N -1 1 424.880 5.792 50 0 biogenic HKAAMM O=C1C[C@H](C2CCCCC2)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253411024 569366651 /nfs/dbraw/zinc/36/66/51/569366651.db2.gz OCAVICKDMVNGDY-MRXNPFEDSA-N -1 1 424.880 5.792 50 0 biogenic HKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](C1CCCCC1)CC(=O)O2 ZINC000253411024 569366652 /nfs/dbraw/zinc/36/66/52/569366652.db2.gz OCAVICKDMVNGDY-MRXNPFEDSA-N -1 1 424.880 5.792 50 0 biogenic HKAAMM Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)o1 ZINC000253412757 569366761 /nfs/dbraw/zinc/36/67/61/569366761.db2.gz RXTPBERNZNYWSC-AWEZNQCLSA-N -1 1 422.820 5.161 50 0 biogenic HKAAMM Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)o1 ZINC000253412758 569366685 /nfs/dbraw/zinc/36/66/85/569366685.db2.gz RXTPBERNZNYWSC-CQSZACIVSA-N -1 1 422.820 5.161 50 0 biogenic HKAAMM O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413292 569366681 /nfs/dbraw/zinc/36/66/81/569366681.db2.gz UJPHUJRFILBBFP-INIZCTEOSA-N -1 1 418.832 5.260 50 0 biogenic HKAAMM O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253413293 569366697 /nfs/dbraw/zinc/36/66/97/569366697.db2.gz UJPHUJRFILBBFP-MRXNPFEDSA-N -1 1 418.832 5.260 50 0 biogenic HKAAMM O=C(Nc1cccc(Cl)c1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000253630329 569383269 /nfs/dbraw/zinc/38/32/69/569383269.db2.gz RVSWIAVGYQHRMX-UHFFFAOYSA-N -1 1 412.070 5.262 50 0 HKAAMM O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586303 568879186 /nfs/dbraw/zinc/87/91/86/568879186.db2.gz SLCBLFQFHFPYCG-KRWDZBQOSA-N -1 1 402.881 5.523 50 0 biogenic HKAAMM O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586304 568879144 /nfs/dbraw/zinc/87/91/44/568879144.db2.gz SLCBLFQFHFPYCG-QGZVFWFLSA-N -1 1 402.881 5.523 50 0 biogenic HKAAMM O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415421 559075675 /nfs/dbraw/zinc/07/56/75/559075675.db2.gz HFSYAQQVJMDWLI-KRWDZBQOSA-N -1 1 420.871 5.662 50 0 HKAAMM O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2cn(Cc3cccc(F)c3)c3cccc(c23)N1 ZINC000409415422 559075717 /nfs/dbraw/zinc/07/57/17/559075717.db2.gz HFSYAQQVJMDWLI-QGZVFWFLSA-N -1 1 420.871 5.662 50 0 HKAAMM O=C([N-]c1nnc(-c2ccc(F)cc2)s1)c1sc2cccc(Cl)c2c1Cl ZINC000526052521 559222355 /nfs/dbraw/zinc/22/23/55/559222355.db2.gz XCKSJTLUNDATLM-UHFFFAOYSA-N -1 1 424.309 6.118 50 0 HKAAMM