smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000001064536 551601429 /nfs/dbraw/zinc/60/14/29/551601429.db2.gz SDNYBCFROMGFTN-LJQANCHMSA-N 1 1 507.226 3.661 50 0 KHAAMO COc1cccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000001323469 551642198 /nfs/dbraw/zinc/64/21/98/551642198.db2.gz OBMKSNSXQAEZGH-RQSLGCGOSA-N 1 1 586.645 3.646 50 0 biogenic KHAAMO CCOC(=O)c1cnn2c1-c1cc(F)c(N3CCN(C(=O)OCC)CC3)c(F)c1-n1c3ccccc3[nH+]c1-2 ZINC000001424464 551669338 /nfs/dbraw/zinc/66/93/38/551669338.db2.gz RWWHIUVZXXNUHY-UHFFFAOYSA-N 1 1 522.512 3.925 50 0 KHAAMO Cc1cc(Br)c(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000001839055 551713337 /nfs/dbraw/zinc/71/33/37/551713337.db2.gz KEIZTNGUQYYXTI-ARFHVFGLSA-N 1 1 512.242 3.541 50 0 KHAAMO Cc1cc(Br)c(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(Br)c1 ZINC000001839056 551713315 /nfs/dbraw/zinc/71/33/15/551713315.db2.gz KEIZTNGUQYYXTI-XHSDSOJGSA-N 1 1 512.242 3.541 50 0 KHAAMO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(Cl)cc3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000002134512 551773291 /nfs/dbraw/zinc/77/32/91/551773291.db2.gz WKUKGVKEJAITGE-INEJIFKHSA-N 1 1 559.066 3.995 50 0 biogenic KHAAMO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(Cl)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000002134512 551773289 /nfs/dbraw/zinc/77/32/89/551773289.db2.gz WKUKGVKEJAITGE-INEJIFKHSA-N 1 1 559.066 3.995 50 0 biogenic KHAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002149331 551777559 /nfs/dbraw/zinc/77/75/59/551777559.db2.gz CWWJSEGCCZBEOE-MGLROVIISA-N 1 1 516.682 3.783 50 0 biogenic KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002334396 552096562 /nfs/dbraw/zinc/09/65/62/552096562.db2.gz WFKCPILDLXPBBI-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002334396 552096561 /nfs/dbraw/zinc/09/65/61/552096561.db2.gz WFKCPILDLXPBBI-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO CC[NH+]1CCN(c2nc(SC)nc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002431213 552118028 /nfs/dbraw/zinc/11/80/28/552118028.db2.gz VKYICVBPBOJNPH-UHFFFAOYSA-N 1 1 514.721 3.791 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002444623 552120701 /nfs/dbraw/zinc/12/07/01/552120701.db2.gz MYUKAGCSYARXIH-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002444623 552120697 /nfs/dbraw/zinc/12/06/97/552120697.db2.gz MYUKAGCSYARXIH-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002452042 552123720 /nfs/dbraw/zinc/12/37/20/552123720.db2.gz PESJDMASHKWDJY-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002452042 552123717 /nfs/dbraw/zinc/12/37/17/552123717.db2.gz PESJDMASHKWDJY-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000002453526 552124208 /nfs/dbraw/zinc/12/42/08/552124208.db2.gz URJKLHVZISVBLJ-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002453526 552124206 /nfs/dbraw/zinc/12/42/06/552124206.db2.gz URJKLHVZISVBLJ-FXKZBUDASA-N 1 1 500.780 3.842 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@@H+](C(C)C)C3)cc1 ZINC000002725208 552166876 /nfs/dbraw/zinc/16/68/76/552166876.db2.gz NEMFHAZJKSQGOM-UHFFFAOYSA-N 1 1 506.694 3.547 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@H+](C(C)C)C3)cc1 ZINC000002725208 552166875 /nfs/dbraw/zinc/16/68/75/552166875.db2.gz NEMFHAZJKSQGOM-UHFFFAOYSA-N 1 1 506.694 3.547 50 0 KHAAMO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948335 552228502 /nfs/dbraw/zinc/22/85/02/552228502.db2.gz RQMWPLBXSULEEJ-QAPCUYQASA-N 1 1 531.963 3.666 50 0 KHAAMO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948337 552228509 /nfs/dbraw/zinc/22/85/09/552228509.db2.gz RQMWPLBXSULEEJ-YJBOKZPZSA-N 1 1 531.963 3.666 50 0 KHAAMO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948339 552228455 /nfs/dbraw/zinc/22/84/55/552228455.db2.gz RQMWPLBXSULEEJ-CRAIPNDOSA-N 1 1 531.963 3.666 50 0 KHAAMO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3N2)cc1OC ZINC000002948340 552228412 /nfs/dbraw/zinc/22/84/12/552228412.db2.gz RQMWPLBXSULEEJ-MAUKXSAKSA-N 1 1 531.963 3.666 50 0 KHAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCc3ccc4c(c3)OCO4)CC23CCCCC3)cc1 ZINC000002953385 552229970 /nfs/dbraw/zinc/22/99/70/552229970.db2.gz JQXVTEXZYWETLQ-UHFFFAOYSA-N 1 1 508.688 3.735 50 0 KHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](CC)C3)cc1 ZINC000003007002 552254315 /nfs/dbraw/zinc/25/43/15/552254315.db2.gz ZHMSATBOWWHZFH-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](CC)C3)cc1 ZINC000003007002 552254314 /nfs/dbraw/zinc/25/43/14/552254314.db2.gz ZHMSATBOWWHZFH-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](CC)C3)cc1 ZINC000003007006 552254307 /nfs/dbraw/zinc/25/43/07/552254307.db2.gz XXXWXRZXQMYIAV-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](CC)C3)cc1 ZINC000003007006 552254306 /nfs/dbraw/zinc/25/43/06/552254306.db2.gz XXXWXRZXQMYIAV-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(=O)OC)C1 ZINC000003007013 552254605 /nfs/dbraw/zinc/25/46/05/552254605.db2.gz NPARAVZBWUBILN-INIZCTEOSA-N 1 1 505.662 3.728 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2C(=O)OC)C1 ZINC000003007013 552254601 /nfs/dbraw/zinc/25/46/01/552254601.db2.gz NPARAVZBWUBILN-INIZCTEOSA-N 1 1 505.662 3.728 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000003007014 552254726 /nfs/dbraw/zinc/25/47/26/552254726.db2.gz ZFXHRVDPJVCZMI-INIZCTEOSA-N 1 1 505.662 3.586 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000003007014 552254724 /nfs/dbraw/zinc/25/47/24/552254724.db2.gz ZFXHRVDPJVCZMI-INIZCTEOSA-N 1 1 505.662 3.586 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OC)C1 ZINC000003007015 552254689 /nfs/dbraw/zinc/25/46/89/552254689.db2.gz JJTALOJWNKDONY-UHFFFAOYSA-N 1 1 505.662 3.586 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OC)C1 ZINC000003007015 552254687 /nfs/dbraw/zinc/25/46/87/552254687.db2.gz JJTALOJWNKDONY-UHFFFAOYSA-N 1 1 505.662 3.586 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000003007017 552254713 /nfs/dbraw/zinc/25/47/13/552254713.db2.gz ZXRNUIAGMMBKFI-IRXDYDNUSA-N 1 1 519.689 3.832 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000003007017 552254712 /nfs/dbraw/zinc/25/47/12/552254712.db2.gz ZXRNUIAGMMBKFI-IRXDYDNUSA-N 1 1 519.689 3.832 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)OC)C1 ZINC000003007023 552254749 /nfs/dbraw/zinc/25/47/49/552254749.db2.gz ZJVIJVBNGOYITE-UHFFFAOYSA-N 1 1 505.662 3.730 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)OC)C1 ZINC000003007023 552254747 /nfs/dbraw/zinc/25/47/47/552254747.db2.gz ZJVIJVBNGOYITE-UHFFFAOYSA-N 1 1 505.662 3.730 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](CC)C3)cc1 ZINC000003007030 552254753 /nfs/dbraw/zinc/25/47/53/552254753.db2.gz COPJSTQKVMYNNV-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](CC)C3)cc1 ZINC000003007030 552254751 /nfs/dbraw/zinc/25/47/51/552254751.db2.gz COPJSTQKVMYNNV-UHFFFAOYSA-N 1 1 507.678 3.976 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007039 552254679 /nfs/dbraw/zinc/25/46/79/552254679.db2.gz SVHWMMGXCVIUTC-UHFFFAOYSA-N 1 1 505.662 3.730 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007039 552254677 /nfs/dbraw/zinc/25/46/77/552254677.db2.gz SVHWMMGXCVIUTC-UHFFFAOYSA-N 1 1 505.662 3.730 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007042 552254771 /nfs/dbraw/zinc/25/47/71/552254771.db2.gz YNOONCIIKFWUPP-KRWDZBQOSA-N 1 1 519.689 3.976 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007042 552254770 /nfs/dbraw/zinc/25/47/70/552254770.db2.gz YNOONCIIKFWUPP-KRWDZBQOSA-N 1 1 519.689 3.976 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007043 552254721 /nfs/dbraw/zinc/25/47/21/552254721.db2.gz DTKCVUDSAYSQKL-UHFFFAOYSA-N 1 1 519.689 3.976 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007043 552254719 /nfs/dbraw/zinc/25/47/19/552254719.db2.gz DTKCVUDSAYSQKL-UHFFFAOYSA-N 1 1 519.689 3.976 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000003007085 552254757 /nfs/dbraw/zinc/25/47/57/552254757.db2.gz TZNUBSKJAGJJQO-UHFFFAOYSA-N 1 1 524.668 3.619 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000003007085 552254756 /nfs/dbraw/zinc/25/47/56/552254756.db2.gz TZNUBSKJAGJJQO-UHFFFAOYSA-N 1 1 524.668 3.619 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007114 552254700 /nfs/dbraw/zinc/25/47/00/552254700.db2.gz QCTCMIMSGZLMRF-UHFFFAOYSA-N 1 1 507.678 3.974 50 0 KHAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C(C)C)C3)cc1 ZINC000003007114 552254698 /nfs/dbraw/zinc/25/46/98/552254698.db2.gz QCTCMIMSGZLMRF-UHFFFAOYSA-N 1 1 507.678 3.974 50 0 KHAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007130 552255087 /nfs/dbraw/zinc/25/50/87/552255087.db2.gz SLTOJAXZQCAMJN-UHFFFAOYSA-N 1 1 505.662 3.728 50 0 KHAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C[N@H+](C(C)C)CC2 ZINC000003007130 552255084 /nfs/dbraw/zinc/25/50/84/552255084.db2.gz SLTOJAXZQCAMJN-UHFFFAOYSA-N 1 1 505.662 3.728 50 0 KHAAMO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1)C[N@@H+](C(C)C)CC2 ZINC000003007133 552254956 /nfs/dbraw/zinc/25/49/56/552254956.db2.gz JIGOEYFGJJKRQP-KRWDZBQOSA-N 1 1 519.689 3.974 50 0 KHAAMO 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1 512.657 3.693 50 0 KHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1 ZINC000008881247 553175916 /nfs/dbraw/zinc/17/59/16/553175916.db2.gz UXWBQXKIOMCNSQ-UHFFFAOYSA-N 1 1 512.657 3.693 50 0 KHAAMO CC[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000008892109 553176192 /nfs/dbraw/zinc/17/61/92/553176192.db2.gz GVTGSVYSLOYASZ-OYRHEFFESA-N 1 1 512.676 3.668 50 0 KHAAMO CC[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000008892110 553176185 /nfs/dbraw/zinc/17/61/85/553176185.db2.gz GVTGSVYSLOYASZ-SFTDATJTSA-N 1 1 512.676 3.668 50 0 KHAAMO CC[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000008892111 553176107 /nfs/dbraw/zinc/17/61/07/553176107.db2.gz GVTGSVYSLOYASZ-NHCUHLMSSA-N 1 1 512.676 3.668 50 0 KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000008917782 553187188 /nfs/dbraw/zinc/18/71/88/553187188.db2.gz NAPQXLKGNVTDGM-XZIPOYHQSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC ZINC000008917782 553187187 /nfs/dbraw/zinc/18/71/87/553187187.db2.gz NAPQXLKGNVTDGM-XZIPOYHQSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1 ZINC000008920701 553189527 /nfs/dbraw/zinc/18/95/27/553189527.db2.gz VFFSQBGZVVYBLT-UHFFFAOYSA-N 1 1 526.684 3.953 50 0 KHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1 ZINC000008920701 553189524 /nfs/dbraw/zinc/18/95/24/553189524.db2.gz VFFSQBGZVVYBLT-UHFFFAOYSA-N 1 1 526.684 3.953 50 0 KHAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211114 553221174 /nfs/dbraw/zinc/22/11/74/553221174.db2.gz XIIJPUBSOXHNAP-OAQYLSRUSA-N 1 1 505.667 3.923 50 0 KHAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211115 553221183 /nfs/dbraw/zinc/22/11/83/553221183.db2.gz XIIJPUBSOXHNAP-NRFANRHFSA-N 1 1 505.667 3.923 50 0 KHAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000009211142 553221113 /nfs/dbraw/zinc/22/11/13/553221113.db2.gz CILHQSKOHBAUFX-DNQXCXABSA-N 1 1 501.679 3.716 50 0 KHAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C2)cc1 ZINC000009211143 553221191 /nfs/dbraw/zinc/22/11/91/553221191.db2.gz CILHQSKOHBAUFX-BJKOFHAPSA-N 1 1 501.679 3.716 50 0 KHAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CCc2cc(OC)no2)CC1 ZINC000009251275 553227772 /nfs/dbraw/zinc/22/77/72/553227772.db2.gz FSMFLWJTHUZWQZ-UHFFFAOYSA-N 1 1 512.607 3.964 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000009330996 553242694 /nfs/dbraw/zinc/24/26/94/553242694.db2.gz DCFWAMGZLJAOTM-XDZXDJIYSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000009330996 553242693 /nfs/dbraw/zinc/24/26/93/553242693.db2.gz DCFWAMGZLJAOTM-XDZXDJIYSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000009331002 553242721 /nfs/dbraw/zinc/24/27/21/553242721.db2.gz DCFWAMGZLJAOTM-CWTOASCOSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000009331002 553242719 /nfs/dbraw/zinc/24/27/19/553242719.db2.gz DCFWAMGZLJAOTM-CWTOASCOSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1cc(C(=O)Oc2ccccc2[C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc(OC)c1OC ZINC000009379811 553251591 /nfs/dbraw/zinc/25/15/91/553251591.db2.gz AGZWXKCZGTYQMY-HSZRJFAPSA-N 1 1 509.584 3.835 50 0 KHAAMO COc1cc(C(=O)Oc2ccccc2[C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc(OC)c1OC ZINC000009379811 553251590 /nfs/dbraw/zinc/25/15/90/553251590.db2.gz AGZWXKCZGTYQMY-HSZRJFAPSA-N 1 1 509.584 3.835 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2C(N)=O)C1 ZINC000009391461 553254158 /nfs/dbraw/zinc/25/41/58/553254158.db2.gz JOLCLNIERIZKLI-UHFFFAOYSA-N 1 1 520.721 3.780 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2C(N)=O)C1 ZINC000009391461 553254156 /nfs/dbraw/zinc/25/41/56/553254156.db2.gz JOLCLNIERIZKLI-UHFFFAOYSA-N 1 1 520.721 3.780 50 0 KHAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCc3cc(=O)n4cc(Cl)ccc4n3)n2n1 ZINC000009472212 553270150 /nfs/dbraw/zinc/27/01/50/553270150.db2.gz SSUFGKCTYLUAGJ-UHFFFAOYSA-N 1 1 502.991 3.979 50 0 KHAAMO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cn4c5c(ccc(Cl)c5c3=O)O[C@H](C)C4)CC2)c1 ZINC000009477710 553272433 /nfs/dbraw/zinc/27/24/33/553272433.db2.gz PEFDRAQTMXZCRQ-HXUWFJFHSA-N 1 1 509.050 3.995 50 0 KHAAMO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cn4c5c(ccc(Cl)c5c3=O)O[C@@H](C)C4)CC2)c1 ZINC000009477712 553272516 /nfs/dbraw/zinc/27/25/16/553272516.db2.gz PEFDRAQTMXZCRQ-FQEVSTJZSA-N 1 1 509.050 3.995 50 0 KHAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529986 553277487 /nfs/dbraw/zinc/27/74/87/553277487.db2.gz FVRNZDWBEPEVJR-PKTZIBPZSA-N 1 1 516.689 3.525 50 0 KHAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009529987 553277511 /nfs/dbraw/zinc/27/75/11/553277511.db2.gz FVRNZDWBEPEVJR-GOTSBHOMSA-N 1 1 516.689 3.525 50 0 KHAAMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000009601103 553286479 /nfs/dbraw/zinc/28/64/79/553286479.db2.gz AYCJUSSDAPKJMF-UHFFFAOYSA-N 1 1 500.437 3.734 50 0 KHAAMO C[N@@H+](CCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc32)CC1)C1CCCCC1 ZINC000009608330 553287525 /nfs/dbraw/zinc/28/75/25/553287525.db2.gz GGQQSCOYDNNHSX-UHFFFAOYSA-N 1 1 507.726 3.547 50 0 KHAAMO CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1C ZINC000009610334 553288451 /nfs/dbraw/zinc/28/84/51/553288451.db2.gz AGXGGMDJJMPGFC-NRFANRHFSA-N 1 1 505.663 3.813 50 0 KHAAMO CCn1c2cc(-c3ccccc3OC)nn2c(=O)c(CCC(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c1C ZINC000009610335 553288480 /nfs/dbraw/zinc/28/84/80/553288480.db2.gz AGXGGMDJJMPGFC-OAQYLSRUSA-N 1 1 505.663 3.813 50 0 KHAAMO O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000009676797 553295127 /nfs/dbraw/zinc/29/51/27/553295127.db2.gz RCCPSALEDNKENS-UHFFFAOYSA-N 1 1 517.095 3.520 50 0 KHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009677803 553295368 /nfs/dbraw/zinc/29/53/68/553295368.db2.gz YIABRQFKYVTJOK-UHFFFAOYSA-N 1 1 519.646 3.869 50 0 KHAAMO COc1ccc(-n2nc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681806 553296969 /nfs/dbraw/zinc/29/69/69/553296969.db2.gz HZHKQSJYIUQJMJ-BGYRXZFFSA-N 1 1 501.631 3.984 50 0 KHAAMO COc1ccc(-n2nc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681924 553297165 /nfs/dbraw/zinc/29/71/65/553297165.db2.gz WFHHZOHFZNJRRA-UHFFFAOYSA-N 1 1 507.594 3.674 50 0 KHAAMO Cn1c(=O)cc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c2cc(Cl)ccc21 ZINC000009694063 553299518 /nfs/dbraw/zinc/29/95/18/553299518.db2.gz FPXLFXXOJGORQP-UHFFFAOYSA-N 1 1 503.043 3.752 50 0 KHAAMO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000009722634 553301128 /nfs/dbraw/zinc/30/11/28/553301128.db2.gz IXYMTARGRYZLSM-SGQUHAKNSA-N 1 1 520.721 3.854 50 0 KHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)C1 ZINC000009725080 553301496 /nfs/dbraw/zinc/30/14/96/553301496.db2.gz OHBUKGBEOZCVEK-OYRHEFFESA-N 1 1 530.735 3.590 50 0 KHAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[N@@H+](C)C1CCCCC1)cn2C ZINC000009725111 553301539 /nfs/dbraw/zinc/30/15/39/553301539.db2.gz RZDWHBPPONUSPB-UHFFFAOYSA-N 1 1 530.735 3.876 50 0 KHAAMO C[N@@H+](CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)CCc1ccccc1 ZINC000009731540 553302675 /nfs/dbraw/zinc/30/26/75/553302675.db2.gz JOJGXOOSSAKQPG-UHFFFAOYSA-N 1 1 505.434 3.920 50 0 KHAAMO C[N@H+](CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)CCc1ccccc1 ZINC000009731540 553302673 /nfs/dbraw/zinc/30/26/73/553302673.db2.gz JOJGXOOSSAKQPG-UHFFFAOYSA-N 1 1 505.434 3.920 50 0 KHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009776906 553306350 /nfs/dbraw/zinc/30/63/50/553306350.db2.gz NQCWDTNCQPKORI-VMPREFPWSA-N 1 1 512.629 3.991 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776943 553306452 /nfs/dbraw/zinc/30/64/52/553306452.db2.gz RYYZAEGIGAMAKY-FQLXRVMXSA-N 1 1 511.622 3.715 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776944 553306529 /nfs/dbraw/zinc/30/65/29/553306529.db2.gz RYYZAEGIGAMAKY-WDYNHAJCSA-N 1 1 511.622 3.715 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776945 553306504 /nfs/dbraw/zinc/30/65/04/553306504.db2.gz RYYZAEGIGAMAKY-URLMMPGGSA-N 1 1 511.622 3.715 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776946 553306448 /nfs/dbraw/zinc/30/64/48/553306448.db2.gz RYYZAEGIGAMAKY-VMPREFPWSA-N 1 1 511.622 3.715 50 0 KHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000009778799 553307128 /nfs/dbraw/zinc/30/71/28/553307128.db2.gz NQCWDTNCQPKORI-WDYNHAJCSA-N 1 1 512.629 3.991 50 0 KHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009778806 553307226 /nfs/dbraw/zinc/30/72/26/553307226.db2.gz NQCWDTNCQPKORI-FQLXRVMXSA-N 1 1 512.629 3.991 50 0 KHAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009778813 553307161 /nfs/dbraw/zinc/30/71/61/553307161.db2.gz NQCWDTNCQPKORI-URLMMPGGSA-N 1 1 512.629 3.991 50 0 KHAAMO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000009836187 553310796 /nfs/dbraw/zinc/31/07/96/553310796.db2.gz MVWXXPQFHLFEEK-YADARESESA-N 1 1 501.425 3.809 50 0 KHAAMO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000009836188 553310765 /nfs/dbraw/zinc/31/07/65/553310765.db2.gz MVWXXPQFHLFEEK-DVECYGJZSA-N 1 1 501.425 3.809 50 0 KHAAMO CCc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000009836189 553310768 /nfs/dbraw/zinc/31/07/68/553310768.db2.gz MVWXXPQFHLFEEK-NTKDMRAZSA-N 1 1 501.425 3.809 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000009836190 553310783 /nfs/dbraw/zinc/31/07/83/553310783.db2.gz VJPKZSNKKBQLCA-NTKDMRAZSA-N 1 1 501.425 3.864 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000009836191 553310759 /nfs/dbraw/zinc/31/07/59/553310759.db2.gz VJPKZSNKKBQLCA-YADARESESA-N 1 1 501.425 3.864 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000009836192 553310779 /nfs/dbraw/zinc/31/07/79/553310779.db2.gz SSMVSHYGRCXYNC-HTAPYJJXSA-N 1 1 507.816 3.900 50 0 KHAAMO COc1cc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc(Br)c1O ZINC000009849585 553312471 /nfs/dbraw/zinc/31/24/71/553312471.db2.gz GJLSSJFBQYTPLY-UHFFFAOYSA-N 1 1 506.416 3.863 50 0 KHAAMO COc1cc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc(Br)c1O ZINC000009849642 553312485 /nfs/dbraw/zinc/31/24/85/553312485.db2.gz JKCIVGSTMFCZHF-UHFFFAOYSA-N 1 1 502.453 3.720 50 0 KHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000010013298 553325775 /nfs/dbraw/zinc/32/57/75/553325775.db2.gz XWHBDSXZCBIVML-AZUAARDMSA-N 1 1 501.697 3.552 50 0 KHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C ZINC000010013299 553325772 /nfs/dbraw/zinc/32/57/72/553325772.db2.gz XWHBDSXZCBIVML-ICSRJNTNSA-N 1 1 501.697 3.552 50 0 KHAAMO CC[N@@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c2c1C)Cc1ccccc1 ZINC000010013316 553325785 /nfs/dbraw/zinc/32/57/85/553325785.db2.gz SSTAUVKQDQZLQV-FQEVSTJZSA-N 1 1 523.703 3.809 50 0 KHAAMO CC[N@@H+](CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C)Cc1ccccc1 ZINC000010013317 553325846 /nfs/dbraw/zinc/32/58/46/553325846.db2.gz SSTAUVKQDQZLQV-HXUWFJFHSA-N 1 1 523.703 3.809 50 0 KHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066970 553327894 /nfs/dbraw/zinc/32/78/94/553327894.db2.gz VFNJPTJRGYYNEE-UHFFFAOYSA-N 1 1 503.646 3.606 50 0 KHAAMO CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(OC)c(OC)cc2s1 ZINC000010067023 553327889 /nfs/dbraw/zinc/32/78/89/553327889.db2.gz ZTPYFANKLQSSJF-UHFFFAOYSA-N 1 1 505.662 3.852 50 0 KHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000011027537 553338796 /nfs/dbraw/zinc/33/87/96/553338796.db2.gz GOKAKCMWQOXDBB-UHFFFAOYSA-N 1 1 518.437 3.811 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000011667694 553340209 /nfs/dbraw/zinc/34/02/09/553340209.db2.gz ZXRNUIAGMMBKFI-IAGOWNOFSA-N 1 1 519.689 3.832 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000011667694 553340208 /nfs/dbraw/zinc/34/02/08/553340208.db2.gz ZXRNUIAGMMBKFI-IAGOWNOFSA-N 1 1 519.689 3.832 50 0 KHAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000011667734 553340104 /nfs/dbraw/zinc/34/01/04/553340104.db2.gz RKXWHOCXBPYJDA-UHFFFAOYSA-N 1 1 524.668 3.617 50 0 KHAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2C(N)=O)C1 ZINC000011667734 553340101 /nfs/dbraw/zinc/34/01/01/553340101.db2.gz RKXWHOCXBPYJDA-UHFFFAOYSA-N 1 1 524.668 3.617 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000011726314 553340824 /nfs/dbraw/zinc/34/08/24/553340824.db2.gz YNOONCIIKFWUPP-QGZVFWFLSA-N 1 1 519.689 3.976 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2c1CC[N@H+](CC)C2 ZINC000011726314 553340822 /nfs/dbraw/zinc/34/08/22/553340822.db2.gz YNOONCIIKFWUPP-QGZVFWFLSA-N 1 1 519.689 3.976 50 0 KHAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OC)C1 ZINC000011726318 553340836 /nfs/dbraw/zinc/34/08/36/553340836.db2.gz WEIBJZVRTTUXRM-UHFFFAOYSA-N 1 1 519.689 3.976 50 0 KHAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(=O)OC)C1 ZINC000011726318 553340835 /nfs/dbraw/zinc/34/08/35/553340835.db2.gz WEIBJZVRTTUXRM-UHFFFAOYSA-N 1 1 519.689 3.976 50 0 KHAAMO COc1ccccc1-c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(N(C)C[C@@H]2COCCO2)n1 ZINC000011783183 553342432 /nfs/dbraw/zinc/34/24/32/553342432.db2.gz BDBDJZOFVRAFOZ-XMMPIXPASA-N 1 1 552.716 3.764 50 0 KHAAMO COc1ccccc1-c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)c(N(C)C[C@H]2COCCO2)n1 ZINC000011783184 553342412 /nfs/dbraw/zinc/34/24/12/553342412.db2.gz BDBDJZOFVRAFOZ-DEOSSOPVSA-N 1 1 552.716 3.764 50 0 KHAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)CC3)cc2)cn1 ZINC000011790975 553343257 /nfs/dbraw/zinc/34/32/57/553343257.db2.gz UUBAJJBAEHILQF-UHFFFAOYSA-N 1 1 503.647 3.572 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000011847504 553343761 /nfs/dbraw/zinc/34/37/61/553343761.db2.gz ZFXHRVDPJVCZMI-MRXNPFEDSA-N 1 1 505.662 3.586 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(=O)OC)C1 ZINC000011847504 553343760 /nfs/dbraw/zinc/34/37/60/553343760.db2.gz ZFXHRVDPJVCZMI-MRXNPFEDSA-N 1 1 505.662 3.586 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000011872840 553348249 /nfs/dbraw/zinc/34/82/49/553348249.db2.gz BFQJJMOWWNQCBT-OFNKIYASSA-N 1 1 502.600 3.789 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3cccc4cccnc43)C2)nn1 ZINC000011872840 553348247 /nfs/dbraw/zinc/34/82/47/553348247.db2.gz BFQJJMOWWNQCBT-OFNKIYASSA-N 1 1 502.600 3.789 50 0 KHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3ccc(OC)c(C)c3C)C2)nn1 ZINC000011881736 553348308 /nfs/dbraw/zinc/34/83/08/553348308.db2.gz OHYMVQSQIUVHJL-REWPJTCUSA-N 1 1 509.632 3.866 50 0 KHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3ccc(OC)c(C)c3C)C2)nn1 ZINC000011881736 553348306 /nfs/dbraw/zinc/34/83/06/553348306.db2.gz OHYMVQSQIUVHJL-REWPJTCUSA-N 1 1 509.632 3.866 50 0 KHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000011965178 553349674 /nfs/dbraw/zinc/34/96/74/553349674.db2.gz UCKGRGUZWGYKSQ-SQHAQQRYSA-N 1 1 512.695 3.812 50 0 KHAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000011965178 553349672 /nfs/dbraw/zinc/34/96/72/553349672.db2.gz UCKGRGUZWGYKSQ-SQHAQQRYSA-N 1 1 512.695 3.812 50 0 KHAAMO COc1ccccc1-c1ccc(C(=O)NCc2ccco2)c(N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000011976689 553349784 /nfs/dbraw/zinc/34/97/84/553349784.db2.gz PSXWJNYHINRRLL-OAQYLSRUSA-N 1 1 504.631 3.953 50 0 KHAAMO COc1ccccc1-c1ccc(C(=O)NCc2ccco2)c(N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000011976695 553349777 /nfs/dbraw/zinc/34/97/77/553349777.db2.gz PSXWJNYHINRRLL-NRFANRHFSA-N 1 1 504.631 3.953 50 0 KHAAMO O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000012028805 553350204 /nfs/dbraw/zinc/35/02/04/553350204.db2.gz WIATYIYOTFPZOJ-UHFFFAOYSA-N 1 1 500.599 3.816 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000012152444 553352845 /nfs/dbraw/zinc/35/28/45/553352845.db2.gz BFVOIJIBBLLTEW-YKSBVNFPSA-N 1 1 502.600 3.789 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000012152444 553352844 /nfs/dbraw/zinc/35/28/44/553352844.db2.gz BFVOIJIBBLLTEW-YKSBVNFPSA-N 1 1 502.600 3.789 50 0 KHAAMO CCc1ccc(C[N@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000012154689 553353031 /nfs/dbraw/zinc/35/30/31/553353031.db2.gz WWGZEIKHAYVFKR-GGAORHGYSA-N 1 1 515.536 3.778 50 0 KHAAMO CCc1ccc(C[N@@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000012154689 553353029 /nfs/dbraw/zinc/35/30/29/553353029.db2.gz WWGZEIKHAYVFKR-GGAORHGYSA-N 1 1 515.536 3.778 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](Cc3sccc3C)C2)nn1 ZINC000012244736 553355040 /nfs/dbraw/zinc/35/50/40/553355040.db2.gz GKSVTADTPNINIZ-MJGOQNOKSA-N 1 1 507.538 3.585 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](Cc3sccc3C)C2)nn1 ZINC000012244736 553355038 /nfs/dbraw/zinc/35/50/38/553355038.db2.gz GKSVTADTPNINIZ-MJGOQNOKSA-N 1 1 507.538 3.585 50 0 KHAAMO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000012245908 553355045 /nfs/dbraw/zinc/35/50/45/553355045.db2.gz DJVWFBWSNJVXGW-SAGWHXFDSA-N 1 1 515.610 3.686 50 0 KHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccc(C)s3)C2)nn1 ZINC000012279591 1066505039 /nfs/dbraw/zinc/50/50/39/1066505039.db2.gz YEUKCKDDGKPHFP-PXNSSMCTSA-N 1 1 507.538 3.585 50 0 KHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](Cc3ccc(C)s3)C2)nn1 ZINC000012279591 1066505033 /nfs/dbraw/zinc/50/50/33/1066505033.db2.gz YEUKCKDDGKPHFP-PXNSSMCTSA-N 1 1 507.538 3.585 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000012367113 553359688 /nfs/dbraw/zinc/35/96/88/553359688.db2.gz ZCOORMBLIXIVJA-CQSZACIVSA-N 1 1 511.613 3.538 50 0 KHAAMO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000012367113 553359687 /nfs/dbraw/zinc/35/96/87/553359687.db2.gz ZCOORMBLIXIVJA-CQSZACIVSA-N 1 1 511.613 3.538 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000012367114 553359714 /nfs/dbraw/zinc/35/97/14/553359714.db2.gz ZCOORMBLIXIVJA-AWEZNQCLSA-N 1 1 511.613 3.538 50 0 KHAAMO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000012367114 553359712 /nfs/dbraw/zinc/35/97/12/553359712.db2.gz ZCOORMBLIXIVJA-AWEZNQCLSA-N 1 1 511.613 3.538 50 0 KHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](CC)C3)cc1 ZINC000012378211 553361858 /nfs/dbraw/zinc/36/18/58/553361858.db2.gz AEFOFAWVOWBQPA-UHFFFAOYSA-N 1 1 512.657 3.693 50 0 KHAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](CC)C3)cc1 ZINC000012378211 553361857 /nfs/dbraw/zinc/36/18/57/553361857.db2.gz AEFOFAWVOWBQPA-UHFFFAOYSA-N 1 1 512.657 3.693 50 0 KHAAMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](CC)C3)cc1 ZINC000012378215 553361843 /nfs/dbraw/zinc/36/18/43/553361843.db2.gz VPEMNPODXCXJJF-UHFFFAOYSA-N 1 1 526.684 3.688 50 0 KHAAMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](CC)C3)cc1 ZINC000012378215 553361842 /nfs/dbraw/zinc/36/18/42/553361842.db2.gz VPEMNPODXCXJJF-UHFFFAOYSA-N 1 1 526.684 3.688 50 0 KHAAMO CC(=O)c1cccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000012380192 553362138 /nfs/dbraw/zinc/36/21/38/553362138.db2.gz ZSEDQOGMANCLQP-UHFFFAOYSA-N 1 1 505.640 3.589 50 0 KHAAMO CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012382665 553362202 /nfs/dbraw/zinc/36/22/02/553362202.db2.gz OZEJXHFDKCQDDI-UHFFFAOYSA-N 1 1 507.656 3.686 50 0 KHAAMO O=C1C[C@H]([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000012429082 553366255 /nfs/dbraw/zinc/36/62/55/553366255.db2.gz QGHSSYSDDFZVRT-SFHVURJKSA-N 1 1 508.210 3.827 50 0 KHAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)N(Cc3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000012452440 553366844 /nfs/dbraw/zinc/36/68/44/553366844.db2.gz ZAPQLBBPMFTTDU-YADHBBJMSA-N 1 1 523.625 3.891 50 0 KHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000012521939 553382859 /nfs/dbraw/zinc/38/28/59/553382859.db2.gz FBVXSFCPLUAESS-UHFFFAOYSA-N 1 1 509.047 3.587 50 0 KHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000012547050 553392315 /nfs/dbraw/zinc/39/23/15/553392315.db2.gz HXECABCCBORLOL-UHFFFAOYSA-N 1 1 517.095 3.937 50 0 KHAAMO CCOC(=O)C1=NN(c2ccccc2Br)[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000012558584 553393706 /nfs/dbraw/zinc/39/37/06/553393706.db2.gz NBGSZYYTUNDICQ-QHCPKHFHSA-N 1 1 501.425 3.869 50 0 KHAAMO CCOC(=O)C1=NN(c2ccccc2Br)[C@H](c2ccccc2)N1CCC[NH+]1CCOCC1 ZINC000012558586 553393766 /nfs/dbraw/zinc/39/37/66/553393766.db2.gz NBGSZYYTUNDICQ-HSZRJFAPSA-N 1 1 501.425 3.869 50 0 KHAAMO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012562165 553394906 /nfs/dbraw/zinc/39/49/06/553394906.db2.gz YLPKYFKQTKUZCE-UHFFFAOYSA-N 1 1 533.694 3.574 50 0 KHAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012563286 553395488 /nfs/dbraw/zinc/39/54/88/553395488.db2.gz KRLBPICVZZPEIB-UHFFFAOYSA-N 1 1 519.667 3.563 50 0 KHAAMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000012563409 553395537 /nfs/dbraw/zinc/39/55/37/553395537.db2.gz JLIBWRGJVWFDRP-UHFFFAOYSA-N 1 1 519.667 3.563 50 0 KHAAMO O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012563448 553395528 /nfs/dbraw/zinc/39/55/28/553395528.db2.gz MKQRFWLQKPNRNX-DTQAZKPQSA-N 1 1 531.678 3.655 50 0 KHAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000012915793 553427372 /nfs/dbraw/zinc/42/73/72/553427372.db2.gz GWUCMJXAAKEZPI-CYBMUJFWSA-N 1 1 506.839 3.957 50 0 KHAAMO C[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000012915798 553427336 /nfs/dbraw/zinc/42/73/36/553427336.db2.gz GWUCMJXAAKEZPI-ZDUSSCGKSA-N 1 1 506.839 3.957 50 0 KHAAMO O=S(=O)(c1cccc(F)c1)N1CCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC000013140864 553454132 /nfs/dbraw/zinc/45/41/32/553454132.db2.gz WVECSJKCIHLXAD-UHFFFAOYSA-N 1 1 515.680 3.816 50 0 KHAAMO Cc1noc(/C=C/c2cccs2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000013521383 553468218 /nfs/dbraw/zinc/46/82/18/553468218.db2.gz IXYMTARGRYZLSM-CSHXORCISA-N 1 1 520.721 3.854 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684125 553484891 /nfs/dbraw/zinc/48/48/91/553484891.db2.gz OYJAVPQCOQZFSL-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684125 553484889 /nfs/dbraw/zinc/48/48/89/553484889.db2.gz OYJAVPQCOQZFSL-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684129 553484918 /nfs/dbraw/zinc/48/49/18/553484918.db2.gz OYJAVPQCOQZFSL-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013684129 553484916 /nfs/dbraw/zinc/48/49/16/553484916.db2.gz OYJAVPQCOQZFSL-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684366 553484960 /nfs/dbraw/zinc/48/49/60/553484960.db2.gz MHYRXIQJRCPVSR-PZTYDPALSA-N 1 1 502.574 3.843 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684366 553484957 /nfs/dbraw/zinc/48/49/57/553484957.db2.gz MHYRXIQJRCPVSR-PZTYDPALSA-N 1 1 502.574 3.843 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684370 553484953 /nfs/dbraw/zinc/48/49/53/553484953.db2.gz MHYRXIQJRCPVSR-FVCFNFBRSA-N 1 1 502.574 3.843 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013684370 553484950 /nfs/dbraw/zinc/48/49/50/553484950.db2.gz MHYRXIQJRCPVSR-FVCFNFBRSA-N 1 1 502.574 3.843 50 0 KHAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688893 553485646 /nfs/dbraw/zinc/48/56/46/553485646.db2.gz FAJWQPQVTPRPQA-MTBINSJKSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688896 553485689 /nfs/dbraw/zinc/48/56/89/553485689.db2.gz FAJWQPQVTPRPQA-NIVHOULJSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688899 553485641 /nfs/dbraw/zinc/48/56/41/553485641.db2.gz FAJWQPQVTPRPQA-CCPXWOOUSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 ZINC000013688901 553485730 /nfs/dbraw/zinc/48/57/30/553485730.db2.gz FAJWQPQVTPRPQA-RFFSZZMTSA-N 1 1 508.553 3.906 50 0 KHAAMO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689534 553485717 /nfs/dbraw/zinc/48/57/17/553485717.db2.gz FLYOQESTXSGKNW-YSRRZRNESA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689535 553485663 /nfs/dbraw/zinc/48/56/63/553485663.db2.gz FLYOQESTXSGKNW-ZGQJUUMOSA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689537 553485670 /nfs/dbraw/zinc/48/56/70/553485670.db2.gz FLYOQESTXSGKNW-KUXNCQQFSA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000013689539 553485678 /nfs/dbraw/zinc/48/56/78/553485678.db2.gz FLYOQESTXSGKNW-PCEYSVKOSA-N 1 1 504.590 3.939 50 0 KHAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690469 553485660 /nfs/dbraw/zinc/48/56/60/553485660.db2.gz SISIIDQFSYFRAF-OBWDDDHRSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690470 553485983 /nfs/dbraw/zinc/48/59/83/553485983.db2.gz SISIIDQFSYFRAF-RHRDVFBWSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690471 553485977 /nfs/dbraw/zinc/48/59/77/553485977.db2.gz SISIIDQFSYFRAF-DIKZQZFXSA-N 1 1 508.553 3.906 50 0 KHAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 ZINC000013690472 553486004 /nfs/dbraw/zinc/48/60/04/553486004.db2.gz SISIIDQFSYFRAF-LUASENJMSA-N 1 1 508.553 3.906 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693562 553486012 /nfs/dbraw/zinc/48/60/12/553486012.db2.gz CWWVGUMETIICJO-ZGQJUUMOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693564 553486006 /nfs/dbraw/zinc/48/60/06/553486006.db2.gz CWWVGUMETIICJO-YSRRZRNESA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693566 553485999 /nfs/dbraw/zinc/48/59/99/553485999.db2.gz CWWVGUMETIICJO-PCEYSVKOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(C)c1 ZINC000013693568 553486008 /nfs/dbraw/zinc/48/60/08/553486008.db2.gz CWWVGUMETIICJO-KUXNCQQFSA-N 1 1 504.590 3.993 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693834 553485994 /nfs/dbraw/zinc/48/59/94/553485994.db2.gz WNWIIVPZYVWOSI-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693834 553485992 /nfs/dbraw/zinc/48/59/92/553485992.db2.gz WNWIIVPZYVWOSI-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693836 553485997 /nfs/dbraw/zinc/48/59/97/553485997.db2.gz WNWIIVPZYVWOSI-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013693836 553485996 /nfs/dbraw/zinc/48/59/96/553485996.db2.gz WNWIIVPZYVWOSI-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727895 553486893 /nfs/dbraw/zinc/48/68/93/553486893.db2.gz ONPSCLYQULSHMH-ZGQJUUMOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727898 553486949 /nfs/dbraw/zinc/48/69/49/553486949.db2.gz ONPSCLYQULSHMH-YSRRZRNESA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727901 553486945 /nfs/dbraw/zinc/48/69/45/553486945.db2.gz ONPSCLYQULSHMH-PCEYSVKOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000013727904 553487166 /nfs/dbraw/zinc/48/71/66/553487166.db2.gz ONPSCLYQULSHMH-KUXNCQQFSA-N 1 1 504.590 3.993 50 0 KHAAMO CCc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733557 553487084 /nfs/dbraw/zinc/48/70/84/553487084.db2.gz VOELJKCDRMENIV-YSRRZRNESA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733560 553487111 /nfs/dbraw/zinc/48/71/11/553487111.db2.gz VOELJKCDRMENIV-ZGQJUUMOSA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733563 553487058 /nfs/dbraw/zinc/48/70/58/553487058.db2.gz VOELJKCDRMENIV-KUXNCQQFSA-N 1 1 504.590 3.939 50 0 KHAAMO CCc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000013733566 553487123 /nfs/dbraw/zinc/48/71/23/553487123.db2.gz VOELJKCDRMENIV-PCEYSVKOSA-N 1 1 504.590 3.939 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734751 553487078 /nfs/dbraw/zinc/48/70/78/553487078.db2.gz LXZOVEDDRMTTJZ-ZGQJUUMOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734754 553487171 /nfs/dbraw/zinc/48/71/71/553487171.db2.gz LXZOVEDDRMTTJZ-YSRRZRNESA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734757 553487102 /nfs/dbraw/zinc/48/71/02/553487102.db2.gz LXZOVEDDRMTTJZ-PCEYSVKOSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000013734760 553487094 /nfs/dbraw/zinc/48/70/94/553487094.db2.gz LXZOVEDDRMTTJZ-KUXNCQQFSA-N 1 1 504.590 3.993 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](O)c2ccc(Cl)cc2)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734805 553487315 /nfs/dbraw/zinc/48/73/15/553487315.db2.gz GOIXEKAKNYGVGJ-UROAJPKYSA-N 1 1 501.970 3.615 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)[NH2+][C@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734808 553487343 /nfs/dbraw/zinc/48/73/43/553487343.db2.gz GOIXEKAKNYGVGJ-SALHDBGSSA-N 1 1 501.970 3.615 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([C@H](O)c2ccc(Cl)cc2)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734811 553487354 /nfs/dbraw/zinc/48/73/54/553487354.db2.gz GOIXEKAKNYGVGJ-SXFUUEIQSA-N 1 1 501.970 3.615 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](O)c2ccc(Cl)cc2)[NH2+][C@@]32C(=O)Nc3ccc(C)cc32)cc1 ZINC000013734814 553487291 /nfs/dbraw/zinc/48/72/91/553487291.db2.gz GOIXEKAKNYGVGJ-OOIXFGODSA-N 1 1 501.970 3.615 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735011 553487370 /nfs/dbraw/zinc/48/73/70/553487370.db2.gz DTVRMMJSKIJTEQ-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735011 553487368 /nfs/dbraw/zinc/48/73/68/553487368.db2.gz DTVRMMJSKIJTEQ-PHBCIFJZSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735014 553487363 /nfs/dbraw/zinc/48/73/63/553487363.db2.gz DTVRMMJSKIJTEQ-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013735014 553487361 /nfs/dbraw/zinc/48/73/61/553487361.db2.gz DTVRMMJSKIJTEQ-CDLOMYRSSA-N 1 1 508.965 3.880 50 0 KHAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000013795547 553491054 /nfs/dbraw/zinc/49/10/54/553491054.db2.gz WGVCDEKJZCFFLS-OAQYLSRUSA-N 1 1 530.735 3.826 50 0 KHAAMO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532422 553517659 /nfs/dbraw/zinc/51/76/59/553517659.db2.gz ZHFQWBJHZGYEMQ-WUFINQPMSA-N 1 1 512.654 3.658 50 0 KHAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014534069 1066855122 /nfs/dbraw/zinc/85/51/22/1066855122.db2.gz YVQWCDUXQPSTAY-LITSAYRRSA-N 1 1 505.703 3.573 50 0 KHAAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535983 1066855771 /nfs/dbraw/zinc/85/57/71/1066855771.db2.gz FBZXAYFGPWJQSL-SHQCIBLASA-N 1 1 501.627 3.655 50 0 KHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](CCc2ccccc2)C1 ZINC000014537982 1066855960 /nfs/dbraw/zinc/85/59/60/1066855960.db2.gz WEBRGZZPVAEZKX-XZOQPEGZSA-N 1 1 503.574 3.990 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3cnc[nH]3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014538751 553518223 /nfs/dbraw/zinc/51/82/23/553518223.db2.gz YTXJTHAWZVENSQ-WIOPSUGQSA-N 1 1 518.658 3.792 50 0 KHAAMO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3cnc[nH]3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014538751 553518221 /nfs/dbraw/zinc/51/82/21/553518221.db2.gz YTXJTHAWZVENSQ-WIOPSUGQSA-N 1 1 518.658 3.792 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3c[nH]cn3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000014538751 553518218 /nfs/dbraw/zinc/51/82/18/553518218.db2.gz YTXJTHAWZVENSQ-WIOPSUGQSA-N 1 1 518.658 3.792 50 0 KHAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN3CCOCC3)C[N@@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014539541 1066855646 /nfs/dbraw/zinc/85/56/46/1066855646.db2.gz HITBJAMLZMVRRO-LBNVMWSVSA-N 1 1 502.659 3.509 50 0 KHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccncc2)C1 ZINC000014539644 1066855876 /nfs/dbraw/zinc/85/58/76/1066855876.db2.gz FXFVYBQJAKGBKO-LOSJGSFVSA-N 1 1 512.610 3.692 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC ZINC000014731256 553519307 /nfs/dbraw/zinc/51/93/07/553519307.db2.gz ZJMGBKBGKNDMMQ-GSLIJJQTSA-N 1 1 521.658 3.565 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC ZINC000014731259 553519407 /nfs/dbraw/zinc/51/94/07/553519407.db2.gz ZJMGBKBGKNDMMQ-BFLUCZKCSA-N 1 1 521.658 3.565 50 0 KHAAMO Cn1ccnc1CN1C[C@H](C(=O)NCC[C@H]2CCC[N@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731663 1066855704 /nfs/dbraw/zinc/85/57/04/1066855704.db2.gz XSIFCKYDGHYCKN-TUNNFDKTSA-N 1 1 507.601 3.557 50 0 KHAAMO Cn1ccnc1CN1C[C@H](C(=O)NCC[C@@H]2CCC[N@H+]2C)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731666 1066855971 /nfs/dbraw/zinc/85/59/71/1066855971.db2.gz XSIFCKYDGHYCKN-VWPQPMDRSA-N 1 1 507.601 3.557 50 0 KHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014741884 553519646 /nfs/dbraw/zinc/51/96/46/553519646.db2.gz BPSMUYDXDVTZAV-LEWJYISDSA-N 1 1 505.546 3.653 50 0 KHAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccncc3)C2)cc1OC ZINC000014744725 553520044 /nfs/dbraw/zinc/52/00/44/553520044.db2.gz RGQHDPUQISGODX-FCHUYYIVSA-N 1 1 506.578 3.631 50 0 KHAAMO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)C1=O ZINC000014746647 1066855899 /nfs/dbraw/zinc/85/58/99/1066855899.db2.gz DCNFDNRCUMZDGB-UHFFFAOYSA-N 1 1 508.644 3.793 50 0 KHAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014749931 1066856449 /nfs/dbraw/zinc/85/64/49/1066856449.db2.gz NJTQLQWELBUTFS-WIOPSUGQSA-N 1 1 504.606 3.637 50 0 KHAAMO COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CCN(Cc2nc4ccccc4s2)CC3)cc1 ZINC000014755258 553520491 /nfs/dbraw/zinc/52/04/91/553520491.db2.gz VBGPONRJCDLRDS-UHFFFAOYSA-N 1 1 521.687 3.708 50 0 KHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(O[C@@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879025 1066856488 /nfs/dbraw/zinc/85/64/88/1066856488.db2.gz DDQYNGLQRSTUFK-IBGZPJMESA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(O[C@@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879025 1066856481 /nfs/dbraw/zinc/85/64/81/1066856481.db2.gz DDQYNGLQRSTUFK-IBGZPJMESA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(O[C@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879026 1066856618 /nfs/dbraw/zinc/85/66/18/1066856618.db2.gz DDQYNGLQRSTUFK-LJQANCHMSA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(O[C@H](C)CNC(=O)c3cnn4cccnc34)c1)CC2 ZINC000014879026 1066856613 /nfs/dbraw/zinc/85/66/13/1066856613.db2.gz DDQYNGLQRSTUFK-LJQANCHMSA-N 1 1 501.587 3.502 50 0 KHAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014879558 553520737 /nfs/dbraw/zinc/52/07/37/553520737.db2.gz KZJGUJSDFDKZEW-OFNKIYASSA-N 1 1 510.520 3.986 50 0 KHAAMO COc1ccc2ccccc2c1C[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014879558 553520735 /nfs/dbraw/zinc/52/07/35/553520735.db2.gz KZJGUJSDFDKZEW-OFNKIYASSA-N 1 1 510.520 3.986 50 0 KHAAMO CN1CCC([N@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000014881974 553521028 /nfs/dbraw/zinc/52/10/28/553521028.db2.gz OACNCZHCADGOJZ-OZXSUGGESA-N 1 1 500.659 3.943 50 0 KHAAMO CN1CCC([N@@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000014881974 553521026 /nfs/dbraw/zinc/52/10/26/553521026.db2.gz OACNCZHCADGOJZ-OZXSUGGESA-N 1 1 500.659 3.943 50 0 KHAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccc(OC)c(OC)c5)CC4)c3C2=O)cc1 ZINC000014882869 1066856647 /nfs/dbraw/zinc/85/66/47/1066856647.db2.gz NRQAZOBUUMQOQZ-UHFFFAOYSA-N 1 1 501.583 3.831 50 0 KHAAMO O=C(OCCC[NH+]1CCOCC1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000014922196 553521506 /nfs/dbraw/zinc/52/15/06/553521506.db2.gz HIFXZWYEBQXWHR-UHFFFAOYSA-N 1 1 513.226 3.713 50 0 KHAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1cccc(Cl)c1 ZINC000014966432 553522660 /nfs/dbraw/zinc/52/26/60/553522660.db2.gz NJIHKYHKXXDQJS-UHFFFAOYSA-N 1 1 501.052 3.805 50 0 KHAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccccc1Cl ZINC000014977020 1066857305 /nfs/dbraw/zinc/85/73/05/1066857305.db2.gz DGRWTQQRKLGYJQ-UHFFFAOYSA-N 1 1 501.052 3.805 50 0 KHAAMO CN(C)C(=O)CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014981974 553523531 /nfs/dbraw/zinc/52/35/31/553523531.db2.gz NXYVYWGXIKADFL-SQJMNOBHSA-N 1 1 503.613 3.982 50 0 KHAAMO CN(C)C(=O)CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014981974 553523528 /nfs/dbraw/zinc/52/35/28/553523528.db2.gz NXYVYWGXIKADFL-SQJMNOBHSA-N 1 1 503.613 3.982 50 0 KHAAMO COC(=O)c1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCc3ccccc3F)C4=O)CC2)cc1 ZINC000014986606 1066857490 /nfs/dbraw/zinc/85/74/90/1066857490.db2.gz GCBDLJUAJODCAD-UHFFFAOYSA-N 1 1 501.558 3.773 50 0 KHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(O[C@@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987385 1066857238 /nfs/dbraw/zinc/85/72/38/1066857238.db2.gz CHKSNCKEQVDPMA-IBGZPJMESA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(O[C@@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987385 1066857227 /nfs/dbraw/zinc/85/72/27/1066857227.db2.gz CHKSNCKEQVDPMA-IBGZPJMESA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(O[C@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987388 1066857207 /nfs/dbraw/zinc/85/72/07/1066857207.db2.gz CHKSNCKEQVDPMA-LJQANCHMSA-N 1 1 501.587 3.502 50 0 KHAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(O[C@H](C)CNC(=O)c3cc4ncccn4n3)c1)CC2 ZINC000014987388 1066857200 /nfs/dbraw/zinc/85/72/00/1066857200.db2.gz CHKSNCKEQVDPMA-LJQANCHMSA-N 1 1 501.587 3.502 50 0 KHAAMO COCCNC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014992159 553524174 /nfs/dbraw/zinc/52/41/74/553524174.db2.gz LAZCUOBDVDFAJR-JYFHCDHNSA-N 1 1 533.639 3.656 50 0 KHAAMO COCCNC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000014992159 553524173 /nfs/dbraw/zinc/52/41/73/553524173.db2.gz LAZCUOBDVDFAJR-JYFHCDHNSA-N 1 1 533.639 3.656 50 0 KHAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014994982 1066857422 /nfs/dbraw/zinc/85/74/22/1066857422.db2.gz OLCJRSWPXTUZJD-LJAQVGFWSA-N 1 1 526.681 3.901 50 0 KHAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014994985 1066505329 /nfs/dbraw/zinc/50/53/29/1066505329.db2.gz OLCJRSWPXTUZJD-GDLZYMKVSA-N 1 1 526.681 3.901 50 0 KHAAMO Cc1c(Cl)cccc1S(=O)(=O)NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000014996385 553524576 /nfs/dbraw/zinc/52/45/76/553524576.db2.gz POWFVMDHLRVURU-UHFFFAOYSA-N 1 1 516.067 3.508 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[N@@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000014997565 553524605 /nfs/dbraw/zinc/52/46/05/553524605.db2.gz QHJMDSZUJJNWOI-YGQUFRLJSA-N 1 1 512.614 3.624 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[N@H+](C/C(C)=C/c3ccccc3)C2)nn1 ZINC000014997565 553524604 /nfs/dbraw/zinc/52/46/04/553524604.db2.gz QHJMDSZUJJNWOI-YGQUFRLJSA-N 1 1 512.614 3.624 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NC2CCCC2)CC1 ZINC000015000370 553524939 /nfs/dbraw/zinc/52/49/39/553524939.db2.gz KBXYUPDSTSLKQB-AHKZPQOWSA-N 1 1 505.707 3.942 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NC2CCCC2)CC1 ZINC000015000370 553524936 /nfs/dbraw/zinc/52/49/36/553524936.db2.gz KBXYUPDSTSLKQB-AHKZPQOWSA-N 1 1 505.707 3.942 50 0 KHAAMO CCOc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)ccc1OC ZINC000015000899 553524853 /nfs/dbraw/zinc/52/48/53/553524853.db2.gz SACJGYOUAAGYBM-UHFFFAOYSA-N 1 1 517.630 3.526 50 0 KHAAMO COCCNC(=O)CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000015002999 553524919 /nfs/dbraw/zinc/52/49/19/553524919.db2.gz JSUDUFQVFRYGOS-AZGAKELHSA-N 1 1 529.125 3.904 50 0 KHAAMO COCCNC(=O)CC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000015002999 553524917 /nfs/dbraw/zinc/52/49/17/553524917.db2.gz JSUDUFQVFRYGOS-AZGAKELHSA-N 1 1 529.125 3.904 50 0 KHAAMO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3nc(C)cs3)C4=O)CC2)c(OC)c1C ZINC000015004909 1066857509 /nfs/dbraw/zinc/85/75/09/1066857509.db2.gz WRUVZXZYINNGNY-UHFFFAOYSA-N 1 1 506.628 3.896 50 0 KHAAMO CN(C[C@@H]1COCCO1)c1nc(-c2cccs2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000015007457 553525115 /nfs/dbraw/zinc/52/51/15/553525115.db2.gz VJDCGKHNARFNSI-JOCHJYFZSA-N 1 1 528.719 3.817 50 0 KHAAMO CN(C[C@H]1COCCO1)c1nc(-c2cccs2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000015007460 553525060 /nfs/dbraw/zinc/52/50/60/553525060.db2.gz VJDCGKHNARFNSI-QFIPXVFZSA-N 1 1 528.719 3.817 50 0 KHAAMO CN(C[C@@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000015066901 553527110 /nfs/dbraw/zinc/52/71/10/553527110.db2.gz XMJYUCUZBDQRRF-HSZRJFAPSA-N 1 1 528.719 3.817 50 0 KHAAMO CN(C[C@H]1COCCO1)c1nc(-c2ccsc2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000015066903 553527057 /nfs/dbraw/zinc/52/70/57/553527057.db2.gz XMJYUCUZBDQRRF-QHCPKHFHSA-N 1 1 528.719 3.817 50 0 KHAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000015307466 553531485 /nfs/dbraw/zinc/53/14/85/553531485.db2.gz KJHQLDSMIUCYRW-LJQANCHMSA-N 1 1 500.340 3.679 50 0 KHAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC000015943938 553543663 /nfs/dbraw/zinc/54/36/63/553543663.db2.gz NSGFMDWWVUAYKS-OYRHEFFESA-N 1 1 517.740 3.840 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000015944177 553543811 /nfs/dbraw/zinc/54/38/11/553543811.db2.gz RPOAAUBMSMRYQI-QNGWXLTQSA-N 1 1 521.614 3.605 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000015944179 553543796 /nfs/dbraw/zinc/54/37/96/553543796.db2.gz RPOAAUBMSMRYQI-DIPNUNPCSA-N 1 1 521.614 3.605 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015999273 553549724 /nfs/dbraw/zinc/54/97/24/553549724.db2.gz MYUKAGCSYARXIH-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015999273 553549721 /nfs/dbraw/zinc/54/97/21/553549721.db2.gz MYUKAGCSYARXIH-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000454 553549736 /nfs/dbraw/zinc/54/97/36/553549736.db2.gz PESJDMASHKWDJY-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000454 553549733 /nfs/dbraw/zinc/54/97/33/553549733.db2.gz PESJDMASHKWDJY-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016000516 553549911 /nfs/dbraw/zinc/54/99/11/553549911.db2.gz DCFWAMGZLJAOTM-YAOOYPAMSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016000516 553549910 /nfs/dbraw/zinc/54/99/10/553549910.db2.gz DCFWAMGZLJAOTM-YAOOYPAMSA-N 1 1 523.545 3.775 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016000568 553549919 /nfs/dbraw/zinc/54/99/19/553549919.db2.gz URJKLHVZISVBLJ-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000568 553549918 /nfs/dbraw/zinc/54/99/18/553549918.db2.gz URJKLHVZISVBLJ-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016000752 553549894 /nfs/dbraw/zinc/54/98/94/553549894.db2.gz KVJDWPTYZIFSHS-YAOOYPAMSA-N 1 1 509.562 3.854 50 0 KHAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016000752 553549893 /nfs/dbraw/zinc/54/98/93/553549893.db2.gz KVJDWPTYZIFSHS-YAOOYPAMSA-N 1 1 509.562 3.854 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009646 553550476 /nfs/dbraw/zinc/55/04/76/553550476.db2.gz RHKZUKPWZIVZCX-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009646 553550474 /nfs/dbraw/zinc/55/04/74/553550474.db2.gz RHKZUKPWZIVZCX-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016009855 553550508 /nfs/dbraw/zinc/55/05/08/553550508.db2.gz XVLANHLWJJOTKO-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009855 553550506 /nfs/dbraw/zinc/55/05/06/553550506.db2.gz XVLANHLWJJOTKO-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016010237 553550728 /nfs/dbraw/zinc/55/07/28/553550728.db2.gz NSYREERHQFLSAZ-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010237 553550725 /nfs/dbraw/zinc/55/07/25/553550725.db2.gz NSYREERHQFLSAZ-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016012219 553550685 /nfs/dbraw/zinc/55/06/85/553550685.db2.gz WFKCPILDLXPBBI-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012219 553550682 /nfs/dbraw/zinc/55/06/82/553550682.db2.gz WFKCPILDLXPBBI-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000016052811 553555133 /nfs/dbraw/zinc/55/51/33/553555133.db2.gz FPYJSJDOHRDAMT-KQWNVCNZSA-N 1 1 568.099 3.990 50 0 in-vitro KHAAMO COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016291271 553558857 /nfs/dbraw/zinc/55/88/57/553558857.db2.gz XEDKHIGQFMWDTA-UHFFFAOYSA-N 1 1 507.656 3.558 50 0 KHAAMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000016401038 553562855 /nfs/dbraw/zinc/56/28/55/553562855.db2.gz OZADJCVOVOUXMF-UHFFFAOYSA-N 1 1 509.628 3.609 50 0 KHAAMO CCCCCC(=O)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000016652438 553571081 /nfs/dbraw/zinc/57/10/81/553571081.db2.gz BLFOKTRMHXJKPX-UHFFFAOYSA-N 1 1 513.635 3.668 50 0 KHAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)NCc1ccccc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000016653045 553571079 /nfs/dbraw/zinc/57/10/79/553571079.db2.gz QEEYPUQNSHSXFJ-UHFFFAOYSA-N 1 1 522.621 3.882 50 0 KHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5nc(C)sc5c4)CC3)n2)cc1 ZINC000017012835 553586169 /nfs/dbraw/zinc/58/61/69/553586169.db2.gz WJUHVZXVDNIWJT-UHFFFAOYSA-N 1 1 510.645 3.966 50 0 KHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000017014406 553586525 /nfs/dbraw/zinc/58/65/25/553586525.db2.gz KIPYSZPQMVMUOI-HOFKKMOUSA-N 1 1 527.021 3.572 50 0 KHAAMO CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)c1 ZINC000017307251 553593043 /nfs/dbraw/zinc/59/30/43/553593043.db2.gz GBJWFQHFNOJJHY-UHFFFAOYSA-N 1 1 527.647 3.846 50 0 KHAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1 ZINC000017337596 553593714 /nfs/dbraw/zinc/59/37/14/553593714.db2.gz LRHIYUTZZIVNLZ-UHFFFAOYSA-N 1 1 569.731 3.965 50 0 KHAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000017357034 553594316 /nfs/dbraw/zinc/59/43/16/553594316.db2.gz XHCLGPOEADWLEO-JOCHJYFZSA-N 1 1 550.725 3.620 50 0 KHAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000017357037 553594213 /nfs/dbraw/zinc/59/42/13/553594213.db2.gz XHCLGPOEADWLEO-QFIPXVFZSA-N 1 1 550.725 3.620 50 0 KHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357214 553594537 /nfs/dbraw/zinc/59/45/37/553594537.db2.gz BHMQCSCEUKQQLB-HSZRJFAPSA-N 1 1 544.718 3.717 50 0 KHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000017357216 553594514 /nfs/dbraw/zinc/59/45/14/553594514.db2.gz BHMQCSCEUKQQLB-QHCPKHFHSA-N 1 1 544.718 3.717 50 0 KHAAMO Cc1c(NS(=O)(=O)c2cc(NC(=O)CC[N@@H+]3CCC[C@@H](C)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017527598 553597039 /nfs/dbraw/zinc/59/70/39/553597039.db2.gz SZIPYDNCIMKNCL-GOSISDBHSA-N 1 1 546.093 3.999 50 0 KHAAMO Cc1c(NS(=O)(=O)c2cc(NC(=O)CC[N@@H+]3CCC[C@H](C)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000017527601 553597092 /nfs/dbraw/zinc/59/70/92/553597092.db2.gz SZIPYDNCIMKNCL-SFHVURJKSA-N 1 1 546.093 3.999 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc4ccc(F)cc4n(Cc4ccccn4)c3=O)CC2)C1 ZINC000019229375 553612934 /nfs/dbraw/zinc/61/29/34/553612934.db2.gz XBJURDWULCKPGY-JOCHJYFZSA-N 1 1 506.622 3.823 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc4ccc(F)cc4n(Cc4ccccn4)c3=O)CC2)C1 ZINC000019229376 553613181 /nfs/dbraw/zinc/61/31/81/553613181.db2.gz XBJURDWULCKPGY-QFIPXVFZSA-N 1 1 506.622 3.823 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000019535018 553614478 /nfs/dbraw/zinc/61/44/78/553614478.db2.gz QIRKQAYPKPJNPZ-UHFFFAOYSA-N 1 1 512.330 3.630 50 0 KHAAMO O=C([C@@H]1COc2ccccc2O1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000019594957 1066209557 /nfs/dbraw/zinc/20/95/57/1066209557.db2.gz KXKPXWBYPPTUGY-PMERELPUSA-N 1 1 528.653 3.609 50 0 KHAAMO O=C([C@H]1COc2ccccc2O1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000019594959 1066209512 /nfs/dbraw/zinc/20/95/12/1066209512.db2.gz KXKPXWBYPPTUGY-SSEXGKCCSA-N 1 1 528.653 3.609 50 0 KHAAMO O=S(=O)(c1ccc(F)cc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000019741133 1066291408 /nfs/dbraw/zinc/29/14/08/1066291408.db2.gz MPNUWIPCTHBHAZ-UHFFFAOYSA-N 1 1 524.662 3.771 50 0 KHAAMO O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000019741283 1066291090 /nfs/dbraw/zinc/29/10/90/1066291090.db2.gz KWKSLSRLWTXVTH-UHFFFAOYSA-N 1 1 514.626 3.812 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000019758470 193884047 /nfs/dbraw/zinc/88/40/47/193884047.db2.gz KBRMQAVCWVDHGL-UHFFFAOYSA-N 1 1 518.359 3.691 50 0 KHAAMO COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000019772755 553616335 /nfs/dbraw/zinc/61/63/35/553616335.db2.gz CZVMEYOPRBGLDF-QHCPKHFHSA-N 1 1 524.843 3.615 50 0 KHAAMO COC(=O)CN[C@H](c1ccccc1Cl)c1cc(Br)ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000019772757 193884394 /nfs/dbraw/zinc/88/43/94/193884394.db2.gz CZVMEYOPRBGLDF-HSZRJFAPSA-N 1 1 524.843 3.615 50 0 KHAAMO COCc1ccc(C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)o1 ZINC000019799306 553617121 /nfs/dbraw/zinc/61/71/21/553617121.db2.gz DTGQGZDWLVJFMD-UHFFFAOYSA-N 1 1 504.631 3.822 50 0 KHAAMO O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000019866531 1066291463 /nfs/dbraw/zinc/29/14/63/1066291463.db2.gz SNBDPSSHSICAQS-UHFFFAOYSA-N 1 1 524.662 3.771 50 0 KHAAMO COc1ccc(-c2nc(S[C@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000019881402 553629513 /nfs/dbraw/zinc/62/95/13/553629513.db2.gz LCCPXZMUHYUJDK-HSZRJFAPSA-N 1 1 511.648 3.551 50 0 KHAAMO COc1ccc(-c2nc(S[C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3ccc(OC)cc3)n[nH]2)cc1 ZINC000019881407 553629479 /nfs/dbraw/zinc/62/94/79/553629479.db2.gz LCCPXZMUHYUJDK-QHCPKHFHSA-N 1 1 511.648 3.551 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000019891599 553630077 /nfs/dbraw/zinc/63/00/77/553630077.db2.gz VDIOAEFPLCUVSL-JSGCOSHPSA-N 1 1 522.391 3.820 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000019891602 553630037 /nfs/dbraw/zinc/63/00/37/553630037.db2.gz VDIOAEFPLCUVSL-GXTWGEPZSA-N 1 1 522.391 3.820 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000019891606 553630091 /nfs/dbraw/zinc/63/00/91/553630091.db2.gz VDIOAEFPLCUVSL-OCCSQVGLSA-N 1 1 522.391 3.820 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000019891610 553630026 /nfs/dbraw/zinc/63/00/26/553630026.db2.gz VDIOAEFPLCUVSL-TZMCWYRMSA-N 1 1 522.391 3.820 50 0 KHAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(Cc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000019944054 553646178 /nfs/dbraw/zinc/64/61/78/553646178.db2.gz CZWNMRXVMWMATE-UHFFFAOYSA-N 1 1 515.639 3.643 50 0 KHAAMO Cc1ccc(Cn2c3cc(=O)n(CCC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000019944057 553646153 /nfs/dbraw/zinc/64/61/53/553646153.db2.gz SDYDERKEOSPKDV-UHFFFAOYSA-N 1 1 529.666 3.951 50 0 KHAAMO Cc1cccc(Cn2c3cc(=O)n(CCC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1 ZINC000019944060 553646138 /nfs/dbraw/zinc/64/61/38/553646138.db2.gz GDODCCPBPFSXIK-UHFFFAOYSA-N 1 1 529.666 3.951 50 0 KHAAMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000020028452 553663842 /nfs/dbraw/zinc/66/38/42/553663842.db2.gz MVBCHUPXJQVIAD-UHFFFAOYSA-N 1 1 507.656 3.933 50 0 KHAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020028453 553663756 /nfs/dbraw/zinc/66/37/56/553663756.db2.gz IVBYPCPGPBCNOM-UHFFFAOYSA-N 1 1 507.656 3.785 50 0 KHAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(C)cc2)cc1OC ZINC000020028454 553663738 /nfs/dbraw/zinc/66/37/38/553663738.db2.gz PFSMKQSOGZJXFF-UHFFFAOYSA-N 1 1 523.655 3.552 50 0 KHAAMO COc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020028456 553663822 /nfs/dbraw/zinc/66/38/22/553663822.db2.gz YLGXJUMJKCBCJV-QFIPXVFZSA-N 1 1 507.656 3.784 50 0 KHAAMO COc1ccc(N([C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020028457 553663836 /nfs/dbraw/zinc/66/38/36/553663836.db2.gz YLGXJUMJKCBCJV-JOCHJYFZSA-N 1 1 507.656 3.784 50 0 KHAAMO COc1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CC[NH+](Cc4ccccc4)CC2)C3=O)cc1 ZINC000020038462 553668299 /nfs/dbraw/zinc/66/82/99/553668299.db2.gz LOMJHNOHMKQOOZ-LJAQVGFWSA-N 1 1 514.651 3.750 50 0 KHAAMO COc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CC[NH+](Cc4ccccc4)CC2)C3=O)cc1 ZINC000020038466 553668365 /nfs/dbraw/zinc/66/83/65/553668365.db2.gz LOMJHNOHMKQOOZ-GDLZYMKVSA-N 1 1 514.651 3.750 50 0 KHAAMO O=C1CS[C@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccc(F)cc1 ZINC000020038490 553668378 /nfs/dbraw/zinc/66/83/78/553668378.db2.gz KKVGLXOGILJZET-NDEPHWFRSA-N 1 1 502.615 3.880 50 0 KHAAMO O=C1CS[C@@]2(c3ccccc3N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)N1c1ccc(F)cc1 ZINC000020038494 553668341 /nfs/dbraw/zinc/66/83/41/553668341.db2.gz KKVGLXOGILJZET-MUUNZHRXSA-N 1 1 502.615 3.880 50 0 KHAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN1CC[NH+](CCO)CC1 ZINC000020065887 553675635 /nfs/dbraw/zinc/67/56/35/553675635.db2.gz REQZSGVNGCWPGK-UHFFFAOYSA-N 1 1 516.436 3.688 50 0 KHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104914 553689142 /nfs/dbraw/zinc/68/91/42/553689142.db2.gz DXDHNKWCHYYXIE-XZWHSSHBSA-N 1 1 508.666 3.848 50 0 KHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020104916 553689124 /nfs/dbraw/zinc/68/91/24/553689124.db2.gz DXDHNKWCHYYXIE-LOYHVIPDSA-N 1 1 508.666 3.848 50 0 KHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020104918 553689129 /nfs/dbraw/zinc/68/91/29/553689129.db2.gz DXDHNKWCHYYXIE-KYJUHHDHSA-N 1 1 508.666 3.848 50 0 KHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000020104920 553689136 /nfs/dbraw/zinc/68/91/36/553689136.db2.gz DXDHNKWCHYYXIE-IHLOFXLRSA-N 1 1 508.666 3.848 50 0 KHAAMO Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020105023 553689438 /nfs/dbraw/zinc/68/94/38/553689438.db2.gz IKEHWFJGAQNMKG-UHFFFAOYSA-N 1 1 528.701 3.795 50 0 KHAAMO O=c1c2cc(NC(=S)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2nc2n1CCCCC2 ZINC000020105237 553689351 /nfs/dbraw/zinc/68/93/51/553689351.db2.gz AAAHZHONEYIDMK-UHFFFAOYSA-N 1 1 511.095 3.885 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000020107968 553691161 /nfs/dbraw/zinc/69/11/61/553691161.db2.gz IASMEFRRVWWREB-SANMLTNESA-N 1 1 537.730 3.834 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000020107970 553691184 /nfs/dbraw/zinc/69/11/84/553691184.db2.gz IASMEFRRVWWREB-AREMUKBSSA-N 1 1 537.730 3.834 50 0 KHAAMO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112022 553694243 /nfs/dbraw/zinc/69/42/43/553694243.db2.gz CJAGOLUMLQZUOM-IABYTQIASA-N 1 1 532.641 3.757 50 0 biogenic KHAAMO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000020112025 553694296 /nfs/dbraw/zinc/69/42/96/553694296.db2.gz CJAGOLUMLQZUOM-ZQLNOWDWSA-N 1 1 532.641 3.757 50 0 biogenic KHAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC1(Cc3ccc(OC(C)C)cc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020112199 553694269 /nfs/dbraw/zinc/69/42/69/553694269.db2.gz LTYZWHGFWFFQAO-IBGZPJMESA-N 1 1 523.630 3.690 50 0 biogenic KHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112629 553694849 /nfs/dbraw/zinc/69/48/49/553694849.db2.gz NICBOWWTHZBNQJ-RRPNLBNLSA-N 1 1 527.662 3.870 50 0 KHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020112631 553694785 /nfs/dbraw/zinc/69/47/85/553694785.db2.gz NICBOWWTHZBNQJ-KAYWLYCHSA-N 1 1 527.662 3.870 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000020115140 553696665 /nfs/dbraw/zinc/69/66/65/553696665.db2.gz PMGLATGQPYFEGZ-QHCPKHFHSA-N 1 1 514.095 3.617 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000020115142 553696561 /nfs/dbraw/zinc/69/65/61/553696561.db2.gz PMGLATGQPYFEGZ-HSZRJFAPSA-N 1 1 514.095 3.617 50 0 KHAAMO CN1Cc2ccccc2C[C@H]1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)Cc3cccs3)c2)CC1 ZINC000020119149 1066291145 /nfs/dbraw/zinc/29/11/45/1066291145.db2.gz SOBGGWPIEZIFQC-LJAQVGFWSA-N 1 1 518.727 3.960 50 0 KHAAMO CN1Cc2ccccc2C[C@@H]1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)Cc3cccs3)c2)CC1 ZINC000020119152 1066291297 /nfs/dbraw/zinc/29/12/97/1066291297.db2.gz SOBGGWPIEZIFQC-GDLZYMKVSA-N 1 1 518.727 3.960 50 0 KHAAMO CC(C)CCn1c2nnc(CCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000020131866 553591937 /nfs/dbraw/zinc/59/19/37/553591937.db2.gz OGRYPKCYPZSFJR-UHFFFAOYSA-N 1 1 506.676 3.819 50 0 KHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136264 553593941 /nfs/dbraw/zinc/59/39/41/553593941.db2.gz HPAIWGUTDLGNOA-XMMPIXPASA-N 1 1 508.711 3.785 50 0 KHAAMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136264 553593937 /nfs/dbraw/zinc/59/39/37/553593937.db2.gz HPAIWGUTDLGNOA-XMMPIXPASA-N 1 1 508.711 3.785 50 0 KHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136268 553593868 /nfs/dbraw/zinc/59/38/68/553593868.db2.gz HPAIWGUTDLGNOA-DEOSSOPVSA-N 1 1 508.711 3.785 50 0 KHAAMO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000020136268 553593866 /nfs/dbraw/zinc/59/38/66/553593866.db2.gz HPAIWGUTDLGNOA-DEOSSOPVSA-N 1 1 508.711 3.785 50 0 KHAAMO COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@@H]3CCCC[N@H+]3C)cc12 ZINC000020136660 1066210294 /nfs/dbraw/zinc/21/02/94/1066210294.db2.gz QIVJWFSDEOUNAF-QHCPKHFHSA-N 1 1 508.619 3.695 50 0 KHAAMO COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@@H]3CCCC[N@@H+]3C)cc12 ZINC000020136660 1066210282 /nfs/dbraw/zinc/21/02/82/1066210282.db2.gz QIVJWFSDEOUNAF-QHCPKHFHSA-N 1 1 508.619 3.695 50 0 KHAAMO COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@H]3CCCC[N@H+]3C)cc12 ZINC000020136664 1066210399 /nfs/dbraw/zinc/21/03/99/1066210399.db2.gz QIVJWFSDEOUNAF-HSZRJFAPSA-N 1 1 508.619 3.695 50 0 KHAAMO COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)[C@H]3CCCC[N@@H+]3C)cc12 ZINC000020136664 1066210387 /nfs/dbraw/zinc/21/03/87/1066210387.db2.gz QIVJWFSDEOUNAF-HSZRJFAPSA-N 1 1 508.619 3.695 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153395 553598077 /nfs/dbraw/zinc/59/80/77/553598077.db2.gz UVIFHFKXEINQLW-URLMMPGGSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153397 553597950 /nfs/dbraw/zinc/59/79/50/553597950.db2.gz UVIFHFKXEINQLW-VMPREFPWSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153399 553598040 /nfs/dbraw/zinc/59/80/40/553598040.db2.gz UVIFHFKXEINQLW-FQLXRVMXSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153401 553597988 /nfs/dbraw/zinc/59/79/88/553597988.db2.gz UVIFHFKXEINQLW-WDYNHAJCSA-N 1 1 511.622 3.885 50 0 KHAAMO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCN4CCN(Cc5ccccc5)CC4)ccc3n2)CC1 ZINC000020153670 553598323 /nfs/dbraw/zinc/59/83/23/553598323.db2.gz BKFXZLDWCOKCJU-UHFFFAOYSA-N 1 1 531.774 3.789 50 0 KHAAMO COc1ccc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168515 553601361 /nfs/dbraw/zinc/60/13/61/553601361.db2.gz PCYDSOIUAIZFEY-JOCHJYFZSA-N 1 1 504.631 3.614 50 0 KHAAMO COc1ccc(C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)c(OC)c1 ZINC000020168518 553601355 /nfs/dbraw/zinc/60/13/55/553601355.db2.gz PCYDSOIUAIZFEY-QFIPXVFZSA-N 1 1 504.631 3.614 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208859 553609883 /nfs/dbraw/zinc/60/98/83/553609883.db2.gz KJDJEVZYYHMFIX-FQLXRVMXSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208862 553609799 /nfs/dbraw/zinc/60/97/99/553609799.db2.gz KJDJEVZYYHMFIX-URLMMPGGSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208865 553609905 /nfs/dbraw/zinc/60/99/05/553609905.db2.gz KJDJEVZYYHMFIX-WDYNHAJCSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020208868 553609862 /nfs/dbraw/zinc/60/98/62/553609862.db2.gz KJDJEVZYYHMFIX-VMPREFPWSA-N 1 1 511.622 3.885 50 0 KHAAMO COc1ccc(-n2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000020216352 553614124 /nfs/dbraw/zinc/61/41/24/553614124.db2.gz KGSDCIYBVDQDKU-UHFFFAOYSA-N 1 1 507.594 3.844 50 0 KHAAMO Cn1c(=O)cc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c2ccc(Cl)cc21 ZINC000020234317 553620241 /nfs/dbraw/zinc/62/02/41/553620241.db2.gz KNUBOZUJHMOUNM-UHFFFAOYSA-N 1 1 503.043 3.752 50 0 KHAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237649 553624265 /nfs/dbraw/zinc/62/42/65/553624265.db2.gz MTJXELDXTWBQFD-SBUREZEXSA-N 1 1 506.043 3.961 50 0 KHAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237652 553624287 /nfs/dbraw/zinc/62/42/87/553624287.db2.gz MTJXELDXTWBQFD-HXOBKFHXSA-N 1 1 506.043 3.961 50 0 KHAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237656 553624322 /nfs/dbraw/zinc/62/43/22/553624322.db2.gz MTJXELDXTWBQFD-GAJHUEQPSA-N 1 1 506.043 3.961 50 0 KHAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000020237659 553624388 /nfs/dbraw/zinc/62/43/88/553624388.db2.gz MTJXELDXTWBQFD-UZUQRXQVSA-N 1 1 506.043 3.961 50 0 KHAAMO Cc1cccc(CN2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000020243041 553628089 /nfs/dbraw/zinc/62/80/89/553628089.db2.gz IZVFPNVMWHJMME-UHFFFAOYSA-N 1 1 503.624 3.814 50 0 KHAAMO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000020243148 553628369 /nfs/dbraw/zinc/62/83/69/553628369.db2.gz DQYXRJSCTVFFSO-UHFFFAOYSA-N 1 1 507.587 3.645 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243326 553628656 /nfs/dbraw/zinc/62/86/56/553628656.db2.gz OXDIEYWBLFEPQQ-JOCHJYFZSA-N 1 1 503.624 3.894 50 0 KHAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243326 553628653 /nfs/dbraw/zinc/62/86/53/553628653.db2.gz OXDIEYWBLFEPQQ-JOCHJYFZSA-N 1 1 503.624 3.894 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243328 553628628 /nfs/dbraw/zinc/62/86/28/553628628.db2.gz OXDIEYWBLFEPQQ-QFIPXVFZSA-N 1 1 503.624 3.894 50 0 KHAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243328 553628627 /nfs/dbraw/zinc/62/86/27/553628627.db2.gz OXDIEYWBLFEPQQ-QFIPXVFZSA-N 1 1 503.624 3.894 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000020255227 553629390 /nfs/dbraw/zinc/62/93/90/553629390.db2.gz XKUSVROCZRHWMS-AHKZPQOWSA-N 1 1 505.707 3.896 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000020255227 553629388 /nfs/dbraw/zinc/62/93/88/553629388.db2.gz XKUSVROCZRHWMS-AHKZPQOWSA-N 1 1 505.707 3.896 50 0 KHAAMO CC1(C)C[C@@H](C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256320 1066226420 /nfs/dbraw/zinc/22/64/20/1066226420.db2.gz XKJVRGSRZVISOS-SANMLTNESA-N 1 1 506.691 3.974 50 0 KHAAMO CC1(C)C[C@H](C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)CCO1 ZINC000020256324 1066226351 /nfs/dbraw/zinc/22/63/51/1066226351.db2.gz XKJVRGSRZVISOS-AREMUKBSSA-N 1 1 506.691 3.974 50 0 KHAAMO Cc1nc2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000020285467 553632206 /nfs/dbraw/zinc/63/22/06/553632206.db2.gz IKKGTQFROIYUBV-HSZRJFAPSA-N 1 1 500.690 3.642 50 0 KHAAMO Cc1nc2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000020285470 553632153 /nfs/dbraw/zinc/63/21/53/553632153.db2.gz IKKGTQFROIYUBV-QHCPKHFHSA-N 1 1 500.690 3.642 50 0 KHAAMO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288340 553633509 /nfs/dbraw/zinc/63/35/09/553633509.db2.gz GAPWIHOBWPCSNE-JIPXPUAJSA-N 1 1 515.683 3.956 50 0 KHAAMO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288344 553633373 /nfs/dbraw/zinc/63/33/73/553633373.db2.gz GAPWIHOBWPCSNE-KDYSTLNUSA-N 1 1 515.683 3.956 50 0 KHAAMO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288347 553633411 /nfs/dbraw/zinc/63/34/11/553633411.db2.gz GAPWIHOBWPCSNE-ZBLYBZFDSA-N 1 1 515.683 3.956 50 0 KHAAMO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288351 553633495 /nfs/dbraw/zinc/63/34/95/553633495.db2.gz GAPWIHOBWPCSNE-IDISGSTGSA-N 1 1 515.683 3.956 50 0 KHAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(C(C)C)cc1 ZINC000020323175 553638193 /nfs/dbraw/zinc/63/81/93/553638193.db2.gz XWVOBVZMVGCNQZ-UHFFFAOYSA-N 1 1 511.692 3.604 50 0 KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000020387035 553644054 /nfs/dbraw/zinc/64/40/54/553644054.db2.gz NAPQXLKGNVTDGM-FGWDOSGTSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000020387035 553644053 /nfs/dbraw/zinc/64/40/53/553644053.db2.gz NAPQXLKGNVTDGM-FGWDOSGTSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO C=C1C(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389479 553644726 /nfs/dbraw/zinc/64/47/26/553644726.db2.gz UOSYDZOUWZSGRX-LJQANCHMSA-N 1 1 500.709 3.727 50 0 KHAAMO C=C1C(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389486 553644704 /nfs/dbraw/zinc/64/47/04/553644704.db2.gz UOSYDZOUWZSGRX-IBGZPJMESA-N 1 1 500.709 3.727 50 0 KHAAMO C=C1C(N2CCC(C(=O)NCC[N@H+](C)C3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020389498 553644735 /nfs/dbraw/zinc/64/47/35/553644735.db2.gz UHVXYINVAZTGPP-UHFFFAOYSA-N 1 1 500.709 3.869 50 0 KHAAMO CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N32)cc1 ZINC000020410937 553646246 /nfs/dbraw/zinc/64/62/46/553646246.db2.gz BBMRBCRDAGPZBT-WNJJXGMVSA-N 1 1 500.643 3.699 50 0 biogenic KHAAMO CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N23)cc1 ZINC000020410940 553646300 /nfs/dbraw/zinc/64/63/00/553646300.db2.gz BBMRBCRDAGPZBT-LITSAYRRSA-N 1 1 500.643 3.699 50 0 biogenic KHAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020410955 553646308 /nfs/dbraw/zinc/64/63/08/553646308.db2.gz CWWJSEGCCZBEOE-GFIPARPBSA-N 1 1 516.682 3.783 50 0 biogenic KHAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000020455120 553652529 /nfs/dbraw/zinc/65/25/29/553652529.db2.gz QBEHMHLYRSTYIR-LBNVMWSVSA-N 1 1 511.110 3.992 50 0 KHAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000020455120 553652525 /nfs/dbraw/zinc/65/25/25/553652525.db2.gz QBEHMHLYRSTYIR-LBNVMWSVSA-N 1 1 511.110 3.992 50 0 KHAAMO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1 ZINC000020508875 553668447 /nfs/dbraw/zinc/66/84/47/553668447.db2.gz AALBITZLPSMOGR-UHFFFAOYSA-N 1 1 510.638 3.937 50 0 KHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(c4nc(-c5ccc(OC)cc5)no4)C3)cc2)CC1 ZINC000020530672 553670034 /nfs/dbraw/zinc/67/00/34/553670034.db2.gz HRQSDQMHFSKYCJ-HSZRJFAPSA-N 1 1 504.635 3.738 50 0 KHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(c4nc(-c5ccc(OC)cc5)no4)C3)cc2)CC1 ZINC000020530674 553670023 /nfs/dbraw/zinc/67/00/23/553670023.db2.gz HRQSDQMHFSKYCJ-QHCPKHFHSA-N 1 1 504.635 3.738 50 0 KHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000020556963 553671364 /nfs/dbraw/zinc/67/13/64/553671364.db2.gz PBTQACJGJMQXHI-HSZRJFAPSA-N 1 1 516.694 3.545 50 0 KHAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)cc2)CC1 ZINC000020556965 553671323 /nfs/dbraw/zinc/67/13/23/553671323.db2.gz PBTQACJGJMQXHI-QHCPKHFHSA-N 1 1 516.694 3.545 50 0 KHAAMO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCN(C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020575951 553675575 /nfs/dbraw/zinc/67/55/75/553675575.db2.gz PWXBPVWMSOYYIS-UHFFFAOYSA-N 1 1 524.710 3.663 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020576061 553675694 /nfs/dbraw/zinc/67/56/94/553675694.db2.gz CINQNOBVIMAJOX-UHFFFAOYSA-N 1 1 524.710 3.744 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020576128 553676066 /nfs/dbraw/zinc/67/60/66/553676066.db2.gz KGNBRBRZZYQENL-UHFFFAOYSA-N 1 1 542.700 3.883 50 0 KHAAMO COc1cc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000020610026 553678644 /nfs/dbraw/zinc/67/86/44/553678644.db2.gz KVMNHGNOKFWQAY-UHFFFAOYSA-N 1 1 504.587 3.861 50 0 biogenic KHAAMO C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccccc3Cl)CN1C(=O)CN(CCC[NH+]1CCOCC1)C2=O ZINC000020610447 553678706 /nfs/dbraw/zinc/67/87/06/553678706.db2.gz OXOWQFAHRZOITE-KMRXNPHXSA-N 1 1 507.034 3.575 50 0 biogenic KHAAMO C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccccc3Cl)CN1C(=O)CN(CCC[NH+]1CCOCC1)C2=O ZINC000020610449 553678669 /nfs/dbraw/zinc/67/86/69/553678669.db2.gz OXOWQFAHRZOITE-PIKZIKFNSA-N 1 1 507.034 3.575 50 0 biogenic KHAAMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644158 553684061 /nfs/dbraw/zinc/68/40/61/553684061.db2.gz AQYUSJVRUBWSQH-UHFFFAOYSA-N 1 1 503.466 3.958 50 0 KHAAMO CCCC[N@H+](C)CCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644158 553684060 /nfs/dbraw/zinc/68/40/60/553684060.db2.gz AQYUSJVRUBWSQH-UHFFFAOYSA-N 1 1 503.466 3.958 50 0 KHAAMO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644160 553684076 /nfs/dbraw/zinc/68/40/76/553684076.db2.gz HYRKVQMCYXDKEJ-UHFFFAOYSA-N 1 1 503.466 3.958 50 0 KHAAMO O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644166 553684018 /nfs/dbraw/zinc/68/40/18/553684018.db2.gz RYSRWADAWZFAAL-UHFFFAOYSA-N 1 1 501.450 3.712 50 0 KHAAMO O=C(CCCn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000020644264 553684343 /nfs/dbraw/zinc/68/43/43/553684343.db2.gz NITWXFDTTSFWGV-UHFFFAOYSA-N 1 1 515.079 3.961 50 0 KHAAMO O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)N1CCC([NH+]2CCCCC2)CC1 ZINC000020644553 553684636 /nfs/dbraw/zinc/68/46/36/553684636.db2.gz CUZSBAUEYBCSDT-UHFFFAOYSA-N 1 1 527.735 3.933 50 0 KHAAMO O=C(CCc1cn(C[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020647255 553685395 /nfs/dbraw/zinc/68/53/95/553685395.db2.gz MUBMSBXXLBLBMB-NDEPHWFRSA-N 1 1 516.642 3.528 50 0 KHAAMO O=C(CCc1cn(C[NH+]2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020647258 553685292 /nfs/dbraw/zinc/68/52/92/553685292.db2.gz MUBMSBXXLBLBMB-MUUNZHRXSA-N 1 1 516.642 3.528 50 0 KHAAMO O=C(CCCc1cn(C[NH+]2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020650900 553685621 /nfs/dbraw/zinc/68/56/21/553685621.db2.gz FBMBGCAWTYQAQH-LJAQVGFWSA-N 1 1 530.669 3.918 50 0 KHAAMO O=C(CCCc1cn(C[NH+]2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2ccccc12)N1CCCCC1 ZINC000020650903 553685577 /nfs/dbraw/zinc/68/55/77/553685577.db2.gz FBMBGCAWTYQAQH-GDLZYMKVSA-N 1 1 530.669 3.918 50 0 KHAAMO O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020724381 553689900 /nfs/dbraw/zinc/68/99/00/553689900.db2.gz GLOVOYIOGGXUQA-UHFFFAOYSA-N 1 1 500.430 3.546 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757394 553695238 /nfs/dbraw/zinc/69/52/38/553695238.db2.gz DDOSADLCODRFEQ-QGZVFWFLSA-N 1 1 521.565 3.638 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1C ZINC000020757404 553695253 /nfs/dbraw/zinc/69/52/53/553695253.db2.gz DDOSADLCODRFEQ-KRWDZBQOSA-N 1 1 521.565 3.638 50 0 KHAAMO Cc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761572 553695829 /nfs/dbraw/zinc/69/58/29/553695829.db2.gz TWWURYBRSQIAGK-ZGQJUUMOSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761577 553695817 /nfs/dbraw/zinc/69/58/17/553695817.db2.gz TWWURYBRSQIAGK-YSRRZRNESA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761582 553695902 /nfs/dbraw/zinc/69/59/02/553695902.db2.gz TWWURYBRSQIAGK-PCEYSVKOSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1C ZINC000020761585 553695913 /nfs/dbraw/zinc/69/59/13/553695913.db2.gz TWWURYBRSQIAGK-KUXNCQQFSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763380 553696205 /nfs/dbraw/zinc/69/62/05/553696205.db2.gz MPQDZIAUPAVXAD-RXDUGQIKSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763385 553696190 /nfs/dbraw/zinc/69/61/90/553696190.db2.gz MPQDZIAUPAVXAD-GTEDWBNGSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763390 553696186 /nfs/dbraw/zinc/69/61/86/553696186.db2.gz MPQDZIAUPAVXAD-CYOUBLJMSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO Cc1cccc(C)c1N1C(=O)[C@H]2[C@@H](C(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020763395 553696178 /nfs/dbraw/zinc/69/61/78/553696178.db2.gz MPQDZIAUPAVXAD-BHUVWSLTSA-N 1 1 504.590 3.993 50 0 biogenic KHAAMO COc1ccccc1-c1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000020863100 553700458 /nfs/dbraw/zinc/70/04/58/553700458.db2.gz KZBMPEKVHNCBBH-SZPZYZBQSA-N 1 1 508.663 3.746 50 0 KHAAMO O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ncccn4)CC3)c2)CC1 ZINC000020908331 1066858122 /nfs/dbraw/zinc/85/81/22/1066858122.db2.gz UZYVNHJQHYEQEY-CIAFOILYSA-N 1 1 519.671 3.643 50 0 KHAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCN(Cc2ccccc2)CC1 ZINC000020908579 553703517 /nfs/dbraw/zinc/70/35/17/553703517.db2.gz NXSQGCJZQSWSIT-LMSSTIIKSA-N 1 1 525.137 3.987 50 0 KHAAMO COc1ccccc1-c1ccc(C(=O)NCCC[NH+]2CCOCC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020912417 553703491 /nfs/dbraw/zinc/70/34/91/553703491.db2.gz KPUBRYSZBDRYBV-UHFFFAOYSA-N 1 1 533.648 3.675 50 0 KHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020919473 553704227 /nfs/dbraw/zinc/70/42/27/553704227.db2.gz TWXLJQAOKVJXAV-HHHXNRCGSA-N 1 1 517.674 3.864 50 0 KHAAMO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020919481 553704237 /nfs/dbraw/zinc/70/42/37/553704237.db2.gz TWXLJQAOKVJXAV-MHZLTWQESA-N 1 1 517.674 3.864 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000021146220 553707673 /nfs/dbraw/zinc/70/76/73/553707673.db2.gz PGTQAPKTHDTIAA-UEIZDATPSA-N 1 1 514.420 3.825 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Oc2ccccc21 ZINC000021146223 553707695 /nfs/dbraw/zinc/70/76/95/553707695.db2.gz PGTQAPKTHDTIAA-TTXZLZEXSA-N 1 1 514.420 3.825 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000021162003 553708312 /nfs/dbraw/zinc/70/83/12/553708312.db2.gz CQDMCAFTSADXCI-UHFFFAOYSA-N 1 1 506.670 3.584 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000021162306 553708637 /nfs/dbraw/zinc/70/86/37/553708637.db2.gz CGFZTYGGNNFIRA-UHFFFAOYSA-N 1 1 506.670 3.584 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(C)c3)CC2)CC1 ZINC000021162656 553708627 /nfs/dbraw/zinc/70/86/27/553708627.db2.gz UDKZUCDIKUDGIW-UHFFFAOYSA-N 1 1 502.707 3.753 50 0 KHAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(C)cc3)CC2)CC1 ZINC000021162821 553708891 /nfs/dbraw/zinc/70/88/91/553708891.db2.gz AXTHUCTZKVLOQJ-UHFFFAOYSA-N 1 1 502.707 3.753 50 0 KHAAMO CCOc1ccc(NC(=O)[C@@H]2C=C([O-])NC(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1 ZINC000021345349 553709457 /nfs/dbraw/zinc/70/94/57/553709457.db2.gz PNIWIHJYSKJWAA-SANMLTNESA-N 1 1 511.626 3.676 50 0 KHAAMO CCOc1ccc(NC(=O)[C@H]2C=C([O-])NC(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)=[NH+]2)cc1 ZINC000021345353 553709480 /nfs/dbraw/zinc/70/94/80/553709480.db2.gz PNIWIHJYSKJWAA-AREMUKBSSA-N 1 1 511.626 3.676 50 0 KHAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021795796 553716805 /nfs/dbraw/zinc/71/68/05/553716805.db2.gz ARLGQNPTYSDKOQ-UHFFFAOYSA-N 1 1 504.410 3.929 50 0 KHAAMO CN1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)CC1 ZINC000022034846 553723329 /nfs/dbraw/zinc/72/33/29/553723329.db2.gz RFSYBLVZOVDWPW-HAVVHWLPSA-N 1 1 529.504 3.683 50 0 KHAAMO COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000022449469 553742329 /nfs/dbraw/zinc/74/23/29/553742329.db2.gz XZXHXSATPCNXJR-ZQHSETAFSA-N 1 1 539.636 3.616 50 0 in-vitro KHAAMO COc1cc(C(=O)OCCCN2CCC[N@@H+](CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000022454221 553742700 /nfs/dbraw/zinc/74/27/00/553742700.db2.gz QVZCXCJXTMIDME-UHFFFAOYSA-N 1 1 604.697 3.540 50 0 world KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022802560 553750953 /nfs/dbraw/zinc/75/09/53/553750953.db2.gz RIOPHIYNQOGISJ-VWLOTQADSA-N 1 1 509.606 3.647 50 0 KHAAMO O=C(Cc1ccc2c(c1)OCO2)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022853506 1066199684 /nfs/dbraw/zinc/19/96/84/1066199684.db2.gz CWJMMBAMVSGZNS-UHFFFAOYSA-N 1 1 528.653 3.741 50 0 KHAAMO COc1cc(OC)cc(C(=O)NC[C@@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)c1 ZINC000022853560 553761937 /nfs/dbraw/zinc/76/19/37/553761937.db2.gz BMMPSGOZTLBQGO-JOCHJYFZSA-N 1 1 504.631 3.614 50 0 KHAAMO COc1cc(OC)cc(C(=O)NC[C@H](C)Oc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)c1 ZINC000022853563 553761845 /nfs/dbraw/zinc/76/18/45/553761845.db2.gz BMMPSGOZTLBQGO-QFIPXVFZSA-N 1 1 504.631 3.614 50 0 KHAAMO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000022853662 553761895 /nfs/dbraw/zinc/76/18/95/553761895.db2.gz OCAABPNUDJEPCV-DEOSSOPVSA-N 1 1 515.654 3.791 50 0 KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022853668 553761815 /nfs/dbraw/zinc/76/18/15/553761815.db2.gz RIOPHIYNQOGISJ-RUZDIDTESA-N 1 1 509.606 3.647 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000022911854 1066200305 /nfs/dbraw/zinc/20/03/05/1066200305.db2.gz YWAVWYIEVIVIFG-UHFFFAOYSA-N 1 1 536.698 3.640 50 0 KHAAMO O=C([C@@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022917852 1066200392 /nfs/dbraw/zinc/20/03/92/1066200392.db2.gz XJNPLPCFUMVAAZ-PMERELPUSA-N 1 1 512.654 3.773 50 0 KHAAMO O=C([C@H]1Cc2ccccc2O1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000022917860 1066200444 /nfs/dbraw/zinc/20/04/44/1066200444.db2.gz XJNPLPCFUMVAAZ-SSEXGKCCSA-N 1 1 512.654 3.773 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022952242 553768840 /nfs/dbraw/zinc/76/88/40/553768840.db2.gz LEHKFHXDEHTMLG-MHZLTWQESA-N 1 1 551.757 3.830 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022952245 553768722 /nfs/dbraw/zinc/76/87/22/553768722.db2.gz LEHKFHXDEHTMLG-HHHXNRCGSA-N 1 1 551.757 3.830 50 0 KHAAMO COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)CN2CC[NH+](C)CC2)c2ccccc2CC3)cc(OC)c1OC ZINC000022956782 553768763 /nfs/dbraw/zinc/76/87/63/553768763.db2.gz PVDNDEJTQUOMEY-UHFFFAOYSA-N 1 1 544.652 3.975 50 0 KHAAMO CC[NH+]1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4OC)nc3N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000023095261 553770746 /nfs/dbraw/zinc/77/07/46/553770746.db2.gz MVRMXOCBASIKPJ-ZRZAMGCNSA-N 1 1 521.706 3.613 50 0 KHAAMO COc1ccc(CCN(C)C(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)cc1OC ZINC000023340445 553774502 /nfs/dbraw/zinc/77/45/02/553774502.db2.gz MWYJGEDLQWRBGE-WUFINQPMSA-N 1 1 522.734 3.623 50 0 KHAAMO COc1ccc(CCN(C)C(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCN(C)CC2)cc1OC ZINC000023340445 553774500 /nfs/dbraw/zinc/77/45/00/553774500.db2.gz MWYJGEDLQWRBGE-WUFINQPMSA-N 1 1 522.734 3.623 50 0 KHAAMO COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCN(C)CC3)C[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000023353874 1066217767 /nfs/dbraw/zinc/21/77/67/1066217767.db2.gz JXBFZGOZULWQSS-GGXMVOPNSA-N 1 1 500.687 3.850 50 0 KHAAMO COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCN(C)CC3)C[N@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000023353874 1066217746 /nfs/dbraw/zinc/21/77/46/1066217746.db2.gz JXBFZGOZULWQSS-GGXMVOPNSA-N 1 1 500.687 3.850 50 0 KHAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000023354190 1066218848 /nfs/dbraw/zinc/21/88/48/1066218848.db2.gz RPQOVJSTSDECSS-VAVYLYDRSA-N 1 1 500.687 3.850 50 0 KHAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000023354190 1066218842 /nfs/dbraw/zinc/21/88/42/1066218842.db2.gz RPQOVJSTSDECSS-VAVYLYDRSA-N 1 1 500.687 3.850 50 0 KHAAMO CCC[NH+]1CCC(N[C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)CC1 ZINC000023359215 1066220061 /nfs/dbraw/zinc/22/00/61/1066220061.db2.gz ZZUQUIUCBZHFDF-UIOOFZCWSA-N 1 1 527.109 3.835 50 0 KHAAMO CCCN1CCC([NH2+][C@H]2C[C@@H](C(=O)NCCc3ccc4c(c3)OCO4)N(Cc3cccc(Cl)c3)C2)CC1 ZINC000023359215 1066220044 /nfs/dbraw/zinc/22/00/44/1066220044.db2.gz ZZUQUIUCBZHFDF-UIOOFZCWSA-N 1 1 527.109 3.835 50 0 KHAAMO CCOC(=O)[C@@H]1CCCN(c2nc(-c3cccs3)ccc2C(=O)N2CCC(N3CC[NH+](CC)CC3)CC2)C1 ZINC000023360669 553774479 /nfs/dbraw/zinc/77/44/79/553774479.db2.gz GVFAEQQUZHXDPJ-JOCHJYFZSA-N 1 1 539.746 3.832 50 0 KHAAMO CCOC(=O)[C@H]1CCCN(c2nc(-c3cccs3)ccc2C(=O)N2CCC(N3CC[NH+](CC)CC3)CC2)C1 ZINC000023360672 553774411 /nfs/dbraw/zinc/77/44/11/553774411.db2.gz GVFAEQQUZHXDPJ-QFIPXVFZSA-N 1 1 539.746 3.832 50 0 KHAAMO Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)cc1 ZINC000023362156 1066220109 /nfs/dbraw/zinc/22/01/09/1066220109.db2.gz RZEVHYBWMQTFSM-UHFFFAOYSA-N 1 1 520.699 3.940 50 0 KHAAMO O=S(=O)(c1ccccc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000023362640 1066221309 /nfs/dbraw/zinc/22/13/09/1066221309.db2.gz XJNTZZPWYIVDRP-UHFFFAOYSA-N 1 1 506.672 3.632 50 0 KHAAMO COc1ccccc1CCC(=O)NC[C@@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000023363066 553774788 /nfs/dbraw/zinc/77/47/88/553774788.db2.gz WQJNMXBIZXGMQY-XMMPIXPASA-N 1 1 502.659 3.924 50 0 KHAAMO COc1ccccc1CCC(=O)NC[C@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000023363069 553774728 /nfs/dbraw/zinc/77/47/28/553774728.db2.gz WQJNMXBIZXGMQY-DEOSSOPVSA-N 1 1 502.659 3.924 50 0 KHAAMO CN1CC[NH+](CCOc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000024811973 553792528 /nfs/dbraw/zinc/79/25/28/553792528.db2.gz OUKYUETWWIPKQR-UHFFFAOYSA-N 1 1 542.036 3.940 50 0 investigational KHAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000025184827 553806057 /nfs/dbraw/zinc/80/60/57/553806057.db2.gz WYIVSGKTNNUPOE-GGAORHGYSA-N 1 1 503.828 3.551 50 0 KHAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000025184832 553806042 /nfs/dbraw/zinc/80/60/42/553806042.db2.gz WYIVSGKTNNUPOE-FYYLOGMGSA-N 1 1 503.828 3.551 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000025184999 553806012 /nfs/dbraw/zinc/80/60/12/553806012.db2.gz ZXKWAJAZDIDWSO-RCZVLFRGSA-N 1 1 511.420 3.711 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000025185006 553806007 /nfs/dbraw/zinc/80/60/07/553806007.db2.gz ZXKWAJAZDIDWSO-RDGATRHJSA-N 1 1 511.420 3.711 50 0 KHAAMO CCOC(=O)c1c2nc3ccccc3nc2n(CCC[NH+]2CCOCC2)c1NC(=O)c1ccccc1F ZINC000025326644 553806429 /nfs/dbraw/zinc/80/64/29/553806429.db2.gz QTEAXNSNNSQEPH-UHFFFAOYSA-N 1 1 505.550 3.875 50 0 KHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000025397526 553808386 /nfs/dbraw/zinc/80/83/86/553808386.db2.gz KTQMOAFYOUHWPJ-WMZHIEFXSA-N 1 1 521.108 3.674 50 0 KHAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000025397531 553808313 /nfs/dbraw/zinc/80/83/13/553808313.db2.gz KTQMOAFYOUHWPJ-CVDCTZTESA-N 1 1 521.108 3.674 50 0 KHAAMO O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+]1CCOCC1 ZINC000029747331 553846937 /nfs/dbraw/zinc/84/69/37/553846937.db2.gz KTXKOHYBYMJIOZ-UHFFFAOYSA-N 1 1 591.656 3.765 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000029747442 553847368 /nfs/dbraw/zinc/84/73/68/553847368.db2.gz RCGKMMTVBOQEIS-QHCPKHFHSA-N 1 1 576.536 3.947 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000029747443 553847379 /nfs/dbraw/zinc/84/73/79/553847379.db2.gz RCGKMMTVBOQEIS-HSZRJFAPSA-N 1 1 576.536 3.947 50 0 KHAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)Cc1ccccc1 ZINC000029748661 553849732 /nfs/dbraw/zinc/84/97/32/553849732.db2.gz AAYVOKWNNKZKMG-UHFFFAOYSA-N 1 1 570.756 3.641 50 0 KHAAMO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000029748748 553850202 /nfs/dbraw/zinc/85/02/02/553850202.db2.gz DQWQQZLGVYVIAK-ILBGXUMGSA-N 1 1 632.787 3.514 50 0 KHAAMO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000029748751 553850160 /nfs/dbraw/zinc/85/01/60/553850160.db2.gz DQWQQZLGVYVIAK-NOZRDPDXSA-N 1 1 632.787 3.514 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749682 553852511 /nfs/dbraw/zinc/85/25/11/553852511.db2.gz VGXWCTGZPNHIEB-KOSHJBKYSA-N 1 1 577.545 3.791 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000029749684 553852477 /nfs/dbraw/zinc/85/24/77/553852477.db2.gz VGXWCTGZPNHIEB-UUOWRZLLSA-N 1 1 577.545 3.791 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752652 553854453 /nfs/dbraw/zinc/85/44/53/553854453.db2.gz AWPVMXRJGWPYNU-ROJLCIKYSA-N 1 1 568.718 3.865 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000029752654 553854406 /nfs/dbraw/zinc/85/44/06/553854406.db2.gz AWPVMXRJGWPYNU-AJQTZOPKSA-N 1 1 568.718 3.865 50 0 KHAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752656 553854340 /nfs/dbraw/zinc/85/43/40/553854340.db2.gz AWPVMXRJGWPYNU-ZWXJPIIXSA-N 1 1 568.718 3.865 50 0 KHAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000029752658 553854363 /nfs/dbraw/zinc/85/43/63/553854363.db2.gz AWPVMXRJGWPYNU-ACHIHNKUSA-N 1 1 568.718 3.865 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000029752827 553854864 /nfs/dbraw/zinc/85/48/64/553854864.db2.gz MHUXKJBOPIMKAD-WJOKGBTCSA-N 1 1 638.563 3.988 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000029752829 553854715 /nfs/dbraw/zinc/85/47/15/553854715.db2.gz MHUXKJBOPIMKAD-HKBQPEDESA-N 1 1 638.563 3.988 50 0 KHAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000032975591 553884240 /nfs/dbraw/zinc/88/42/40/553884240.db2.gz WWTVTNLNVBYXKR-UHFFFAOYSA-N 1 1 507.656 3.688 50 0 KHAAMO C[N@@H+](CCCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O)Cc1ccccc1 ZINC000032977774 553884410 /nfs/dbraw/zinc/88/44/10/553884410.db2.gz IJFFXQYKTOOTIQ-UHFFFAOYSA-N 1 1 505.018 3.503 50 0 KHAAMO CC[N@@H+](CCNC(=O)c1nc2c(=O)n(Cc3cccc(F)c3)c3cc(C)ccc3n2n1)Cc1ccccc1 ZINC000032984972 553885561 /nfs/dbraw/zinc/88/55/61/553885561.db2.gz SRLAHHMBAXAEPA-UHFFFAOYSA-N 1 1 512.589 3.792 50 0 KHAAMO COc1ccc2oc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000032999696 553887720 /nfs/dbraw/zinc/88/77/20/553887720.db2.gz QILJAFHCWOXPRT-UHFFFAOYSA-N 1 1 526.659 3.929 50 0 KHAAMO Cc1ccc(CSCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000032999700 553887747 /nfs/dbraw/zinc/88/77/47/553887747.db2.gz ZECVXRBMOZFLDJ-UHFFFAOYSA-N 1 1 516.733 3.793 50 0 KHAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000033010709 553888069 /nfs/dbraw/zinc/88/80/69/553888069.db2.gz VUGFTAHLOMUQSN-UHFFFAOYSA-N 1 1 500.020 3.679 50 0 KHAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000033058939 553904278 /nfs/dbraw/zinc/90/42/78/553904278.db2.gz GNBKIJBVLLNNMN-CTDFXDFQSA-N 1 1 532.682 3.931 50 0 KHAAMO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000033058940 553904263 /nfs/dbraw/zinc/90/42/63/553904263.db2.gz GNBKIJBVLLNNMN-CFGKVWFZSA-N 1 1 532.682 3.931 50 0 KHAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250943 553913623 /nfs/dbraw/zinc/91/36/23/553913623.db2.gz GYQPHCAGYIXRRJ-JJNABOQBSA-N 1 1 514.692 3.643 50 0 KHAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250944 553913535 /nfs/dbraw/zinc/91/35/35/553913535.db2.gz GYQPHCAGYIXRRJ-ZUTVHTERSA-N 1 1 514.692 3.643 50 0 KHAAMO Cc1nn(CCCC(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261397 553916266 /nfs/dbraw/zinc/91/62/66/553916266.db2.gz QZRDZWRDTSVHQI-JOCHJYFZSA-N 1 1 515.662 3.700 50 0 KHAAMO Cc1nn(CCCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261398 553916219 /nfs/dbraw/zinc/91/62/19/553916219.db2.gz QZRDZWRDTSVHQI-QFIPXVFZSA-N 1 1 515.662 3.700 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000033357094 553946418 /nfs/dbraw/zinc/94/64/18/553946418.db2.gz VAXSCXQAOFCDHM-VWLOTQADSA-N 1 1 555.770 3.776 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000033357096 553946321 /nfs/dbraw/zinc/94/63/21/553946321.db2.gz VAXSCXQAOFCDHM-RUZDIDTESA-N 1 1 555.770 3.776 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000033357119 553946818 /nfs/dbraw/zinc/94/68/18/553946818.db2.gz HGMOWKLJOXFOIV-VWLOTQADSA-N 1 1 586.158 3.875 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000033357121 553946712 /nfs/dbraw/zinc/94/67/12/553946712.db2.gz HGMOWKLJOXFOIV-RUZDIDTESA-N 1 1 586.158 3.875 50 0 KHAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357130 553946774 /nfs/dbraw/zinc/94/67/74/553946774.db2.gz XNYFZKUBZIRNGJ-QFIPXVFZSA-N 1 1 534.513 3.962 50 0 KHAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033357133 553946841 /nfs/dbraw/zinc/94/68/41/553946841.db2.gz XNYFZKUBZIRNGJ-JOCHJYFZSA-N 1 1 534.513 3.962 50 0 KHAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)c(Cl)c3n2)cc1OC ZINC000033358360 553954778 /nfs/dbraw/zinc/95/47/78/553954778.db2.gz SRMLUZWJGHBUCB-UHFFFAOYSA-N 1 1 527.931 3.538 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000033429035 553959680 /nfs/dbraw/zinc/95/96/80/553959680.db2.gz XJUIYSBCARVXIM-RCZVLFRGSA-N 1 1 500.521 3.968 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](C)C[C@@H]43)C2=O)cc1 ZINC000033429037 553959854 /nfs/dbraw/zinc/95/98/54/553959854.db2.gz XJUIYSBCARVXIM-RDGATRHJSA-N 1 1 500.521 3.968 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000033659084 553966477 /nfs/dbraw/zinc/96/64/77/553966477.db2.gz DCFWAMGZLJAOTM-XUJYPJAKSA-N 1 1 523.545 3.775 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000033659084 553966474 /nfs/dbraw/zinc/96/64/74/553966474.db2.gz DCFWAMGZLJAOTM-XUJYPJAKSA-N 1 1 523.545 3.775 50 0 KHAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccc(C(F)(F)F)cc2)CC3)CC1 ZINC000034676713 553982965 /nfs/dbraw/zinc/98/29/65/553982965.db2.gz ZOOJNBRJGBLJFP-UHFFFAOYSA-N 1 1 502.585 3.682 50 0 KHAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000034676721 553983029 /nfs/dbraw/zinc/98/30/29/553983029.db2.gz MKRZMTSKOPMKCR-UHFFFAOYSA-N 1 1 502.585 3.682 50 0 KHAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000034676835 553983139 /nfs/dbraw/zinc/98/31/39/553983139.db2.gz RTYXOXYKTSZYGY-UHFFFAOYSA-N 1 1 514.051 3.730 50 0 KHAAMO COc1ccccc1CCNC(=O)c1coc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034678325 553984053 /nfs/dbraw/zinc/98/40/53/553984053.db2.gz ZYELZUPXHRENIS-UHFFFAOYSA-N 1 1 502.537 3.992 50 0 KHAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)c(OC)c1OC ZINC000034681999 553985694 /nfs/dbraw/zinc/98/56/94/553985694.db2.gz KOCCXIYPYFEOIW-UHFFFAOYSA-N 1 1 506.603 3.837 50 0 KHAAMO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc3c(c2)OCO3)c1)NCCC[NH+]1CCOCC1 ZINC000034685507 553986719 /nfs/dbraw/zinc/98/67/19/553986719.db2.gz LHZBAKQCXUDPLF-UHFFFAOYSA-N 1 1 515.610 3.643 50 0 KHAAMO Cc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)c2cccc(CC(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000034685520 553986654 /nfs/dbraw/zinc/98/66/54/553986654.db2.gz MTJHYVPPTRKTKP-UHFFFAOYSA-N 1 1 529.637 3.952 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692103 553989956 /nfs/dbraw/zinc/98/99/56/553989956.db2.gz KGXGPYYSBDNSER-HSZRJFAPSA-N 1 1 520.552 3.795 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692103 553989953 /nfs/dbraw/zinc/98/99/53/553989953.db2.gz KGXGPYYSBDNSER-HSZRJFAPSA-N 1 1 520.552 3.795 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692104 553990048 /nfs/dbraw/zinc/99/00/48/553990048.db2.gz KGXGPYYSBDNSER-QHCPKHFHSA-N 1 1 520.552 3.795 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1 ZINC000034692104 553990046 /nfs/dbraw/zinc/99/00/46/553990046.db2.gz KGXGPYYSBDNSER-QHCPKHFHSA-N 1 1 520.552 3.795 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692177 553990012 /nfs/dbraw/zinc/99/00/12/553990012.db2.gz MXRCYWVJKUPSSO-HHHXNRCGSA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692177 553990009 /nfs/dbraw/zinc/99/00/09/553990009.db2.gz MXRCYWVJKUPSSO-HHHXNRCGSA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692178 553990111 /nfs/dbraw/zinc/99/01/11/553990111.db2.gz MXRCYWVJKUPSSO-MHZLTWQESA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccc5ccccc5c4)CC3)C2)c1 ZINC000034692178 553990109 /nfs/dbraw/zinc/99/01/09/553990109.db2.gz MXRCYWVJKUPSSO-MHZLTWQESA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692187 553990416 /nfs/dbraw/zinc/99/04/16/553990416.db2.gz FGKSUQXKQHQNOB-RUZDIDTESA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692187 553990413 /nfs/dbraw/zinc/99/04/13/553990413.db2.gz FGKSUQXKQHQNOB-RUZDIDTESA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692188 553990438 /nfs/dbraw/zinc/99/04/38/553990438.db2.gz FGKSUQXKQHQNOB-VWLOTQADSA-N 1 1 502.615 3.929 50 0 KHAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4cccc5ccccc54)CC3)C2)c1 ZINC000034692188 553990435 /nfs/dbraw/zinc/99/04/35/553990435.db2.gz FGKSUQXKQHQNOB-VWLOTQADSA-N 1 1 502.615 3.929 50 0 KHAAMO O=C(NCc1ccccn1)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708278 553994583 /nfs/dbraw/zinc/99/45/83/553994583.db2.gz DHVRYHUBXPNMEK-RPLLCQBOSA-N 1 1 507.562 3.694 50 0 KHAAMO O=C(NCc1ccccn1)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1)Oc1cccc(F)c1 ZINC000034708279 553994480 /nfs/dbraw/zinc/99/44/80/553994480.db2.gz DHVRYHUBXPNMEK-IGKIAQTJSA-N 1 1 507.562 3.694 50 0 KHAAMO COc1cc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccccc4OC)c3C2)cc(OC)c1 ZINC000034755622 553999153 /nfs/dbraw/zinc/99/91/53/553999153.db2.gz IXQWWYIKXYOOND-UHFFFAOYSA-N 1 1 505.619 3.605 50 0 KHAAMO COc1cc(CN2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4)c3C2)cc(OC)c1OC ZINC000034755785 553998991 /nfs/dbraw/zinc/99/89/91/553998991.db2.gz GNRDDEZTJIVOEB-UHFFFAOYSA-N 1 1 523.609 3.744 50 0 KHAAMO COc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cc(OC)c(OC)c(OC)c2)CC3)c1 ZINC000034755854 553999010 /nfs/dbraw/zinc/99/90/10/553999010.db2.gz AAPXJYMYEICDCC-UHFFFAOYSA-N 1 1 535.645 3.613 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000034756728 553999396 /nfs/dbraw/zinc/99/93/96/553999396.db2.gz KNHNYRLFGVRQBC-UHFFFAOYSA-N 1 1 518.014 3.560 50 0 KHAAMO COc1cccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1 ZINC000034757166 553999941 /nfs/dbraw/zinc/99/99/41/553999941.db2.gz RUCMJSUEHSJXFE-UHFFFAOYSA-N 1 1 510.545 3.898 50 0 KHAAMO COc1cccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4cccc(OC)c4)c3C2)c1 ZINC000034757246 554000219 /nfs/dbraw/zinc/00/02/19/554000219.db2.gz CIVKAUBONCMCCH-UHFFFAOYSA-N 1 1 504.591 3.628 50 0 KHAAMO COc1cccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1 ZINC000034757293 554000214 /nfs/dbraw/zinc/00/02/14/554000214.db2.gz HSBFSBARWUGNQA-UHFFFAOYSA-N 1 1 510.545 3.898 50 0 KHAAMO COc1cc(OC)cc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4F)c3C2)c1 ZINC000034758725 554000660 /nfs/dbraw/zinc/00/06/60/554000660.db2.gz BAODVVFSCZWUQG-UHFFFAOYSA-N 1 1 525.556 3.515 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034758743 554000680 /nfs/dbraw/zinc/00/06/80/554000680.db2.gz GBACGZUCUGDHDJ-UHFFFAOYSA-N 1 1 501.484 3.776 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034758751 554000777 /nfs/dbraw/zinc/00/07/77/554000777.db2.gz WZDIOOLHNMVCNE-UHFFFAOYSA-N 1 1 501.484 3.776 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034760269 554001670 /nfs/dbraw/zinc/00/16/70/554001670.db2.gz LFTVTFBANPPQCC-UHFFFAOYSA-N 1 1 501.484 3.776 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(C(=O)c2c(F)cccc2F)CC3)CC1 ZINC000034760278 554001539 /nfs/dbraw/zinc/00/15/39/554001539.db2.gz OZIIZQOAZJQZIP-UHFFFAOYSA-N 1 1 501.484 3.776 50 0 KHAAMO COc1cccc(CC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(C)c4)c3C2)c1 ZINC000034760448 554001571 /nfs/dbraw/zinc/00/15/71/554001571.db2.gz UDBWVWPKPGPMDH-UHFFFAOYSA-N 1 1 505.594 3.604 50 0 KHAAMO CN1CC[NH+](CCCNC(=O)Nc2c(N)n(-c3cc(F)ccc3F)nc2-c2ccc(Cl)cc2)CC1 ZINC000034785825 554004061 /nfs/dbraw/zinc/00/40/61/554004061.db2.gz SFVLTZTVXSJOQX-UHFFFAOYSA-N 1 1 503.985 3.812 50 0 KHAAMO COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000034785995 554004067 /nfs/dbraw/zinc/00/40/67/554004067.db2.gz KXBSAYQATNETKW-UHFFFAOYSA-N 1 1 518.540 3.993 50 0 KHAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034787074 554004360 /nfs/dbraw/zinc/00/43/60/554004360.db2.gz OHXFSGHLKAHZIE-MHZLTWQESA-N 1 1 505.640 3.697 50 0 KHAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034787074 554004356 /nfs/dbraw/zinc/00/43/56/554004356.db2.gz OHXFSGHLKAHZIE-MHZLTWQESA-N 1 1 505.640 3.697 50 0 KHAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034787080 554004428 /nfs/dbraw/zinc/00/44/28/554004428.db2.gz OHXFSGHLKAHZIE-HHHXNRCGSA-N 1 1 505.640 3.697 50 0 KHAAMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034787080 554004426 /nfs/dbraw/zinc/00/44/26/554004426.db2.gz OHXFSGHLKAHZIE-HHHXNRCGSA-N 1 1 505.640 3.697 50 0 KHAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787325 554004565 /nfs/dbraw/zinc/00/45/65/554004565.db2.gz IJUJPKTVOYZTKF-HHHXNRCGSA-N 1 1 503.624 3.799 50 0 KHAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787325 554004561 /nfs/dbraw/zinc/00/45/61/554004561.db2.gz IJUJPKTVOYZTKF-HHHXNRCGSA-N 1 1 503.624 3.799 50 0 KHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787328 554004311 /nfs/dbraw/zinc/00/43/11/554004311.db2.gz IJUJPKTVOYZTKF-MHZLTWQESA-N 1 1 503.624 3.799 50 0 KHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034787328 554004307 /nfs/dbraw/zinc/00/43/07/554004307.db2.gz IJUJPKTVOYZTKF-MHZLTWQESA-N 1 1 503.624 3.799 50 0 KHAAMO O=C(COCc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787383 554004335 /nfs/dbraw/zinc/00/43/35/554004335.db2.gz PCOZTLCBQQEIMW-LJAQVGFWSA-N 1 1 503.668 3.973 50 0 KHAAMO O=C(COCc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787383 554004333 /nfs/dbraw/zinc/00/43/33/554004333.db2.gz PCOZTLCBQQEIMW-LJAQVGFWSA-N 1 1 503.668 3.973 50 0 KHAAMO O=C(COCc1ccccc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787388 554004517 /nfs/dbraw/zinc/00/45/17/554004517.db2.gz PCOZTLCBQQEIMW-GDLZYMKVSA-N 1 1 503.668 3.973 50 0 KHAAMO O=C(COCc1ccccc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787388 554004512 /nfs/dbraw/zinc/00/45/12/554004512.db2.gz PCOZTLCBQQEIMW-GDLZYMKVSA-N 1 1 503.668 3.973 50 0 KHAAMO COc1ccc(CC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787747 554004986 /nfs/dbraw/zinc/00/49/86/554004986.db2.gz QHIZKWVPDFVYIO-GDLZYMKVSA-N 1 1 503.668 3.926 50 0 KHAAMO COc1ccc(CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787747 554004983 /nfs/dbraw/zinc/00/49/83/554004983.db2.gz QHIZKWVPDFVYIO-GDLZYMKVSA-N 1 1 503.668 3.926 50 0 KHAAMO COc1ccc(CC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787750 554004832 /nfs/dbraw/zinc/00/48/32/554004832.db2.gz QHIZKWVPDFVYIO-LJAQVGFWSA-N 1 1 503.668 3.926 50 0 KHAAMO COc1ccc(CC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787750 554004823 /nfs/dbraw/zinc/00/48/23/554004823.db2.gz QHIZKWVPDFVYIO-LJAQVGFWSA-N 1 1 503.668 3.926 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787860 554005281 /nfs/dbraw/zinc/00/52/81/554005281.db2.gz GIZHTFRSWOPICV-GDLZYMKVSA-N 1 1 503.668 3.892 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787860 554005278 /nfs/dbraw/zinc/00/52/78/554005278.db2.gz GIZHTFRSWOPICV-GDLZYMKVSA-N 1 1 503.668 3.892 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787863 554005426 /nfs/dbraw/zinc/00/54/26/554005426.db2.gz GIZHTFRSWOPICV-LJAQVGFWSA-N 1 1 503.668 3.892 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034787863 554005423 /nfs/dbraw/zinc/00/54/23/554005423.db2.gz GIZHTFRSWOPICV-LJAQVGFWSA-N 1 1 503.668 3.892 50 0 KHAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034788950 554006714 /nfs/dbraw/zinc/00/67/14/554006714.db2.gz ZVVVHTWPTZHNSA-RUZDIDTESA-N 1 1 516.088 3.882 50 0 KHAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034788950 554006710 /nfs/dbraw/zinc/00/67/10/554006710.db2.gz ZVVVHTWPTZHNSA-RUZDIDTESA-N 1 1 516.088 3.882 50 0 KHAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034788953 554006755 /nfs/dbraw/zinc/00/67/55/554006755.db2.gz ZVVVHTWPTZHNSA-VWLOTQADSA-N 1 1 516.088 3.882 50 0 KHAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034788953 554006753 /nfs/dbraw/zinc/00/67/53/554006753.db2.gz ZVVVHTWPTZHNSA-VWLOTQADSA-N 1 1 516.088 3.882 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829604 554012033 /nfs/dbraw/zinc/01/20/33/554012033.db2.gz KZUFVSWFSMICEU-WINIVTDRSA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829604 554012030 /nfs/dbraw/zinc/01/20/30/554012030.db2.gz KZUFVSWFSMICEU-WINIVTDRSA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829605 554012158 /nfs/dbraw/zinc/01/21/58/554012158.db2.gz KZUFVSWFSMICEU-PPHZAIPVSA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034829605 554012155 /nfs/dbraw/zinc/01/21/55/554012155.db2.gz KZUFVSWFSMICEU-PPHZAIPVSA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034829620 554011992 /nfs/dbraw/zinc/01/19/92/554011992.db2.gz HPBPIGUENFIQHE-MNNSJKJDSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034829620 554011990 /nfs/dbraw/zinc/01/19/90/554011990.db2.gz HPBPIGUENFIQHE-MNNSJKJDSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034829621 554012025 /nfs/dbraw/zinc/01/20/25/554012025.db2.gz HPBPIGUENFIQHE-ZTOMLWHTSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034829621 554012023 /nfs/dbraw/zinc/01/20/23/554012023.db2.gz HPBPIGUENFIQHE-ZTOMLWHTSA-N 1 1 503.668 3.972 50 0 KHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829986 554014022 /nfs/dbraw/zinc/01/40/22/554014022.db2.gz XZMNWVKCOQVTHS-JIPXPUAJSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829986 554014019 /nfs/dbraw/zinc/01/40/19/554014019.db2.gz XZMNWVKCOQVTHS-JIPXPUAJSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829987 554013983 /nfs/dbraw/zinc/01/39/83/554013983.db2.gz XZMNWVKCOQVTHS-ZBLYBZFDSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)cc1 ZINC000034829987 554013978 /nfs/dbraw/zinc/01/39/78/554013978.db2.gz XZMNWVKCOQVTHS-ZBLYBZFDSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829988 554014059 /nfs/dbraw/zinc/01/40/59/554014059.db2.gz KPRPOYUPQPEWNK-JIPXPUAJSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829988 554014057 /nfs/dbraw/zinc/01/40/57/554014057.db2.gz KPRPOYUPQPEWNK-JIPXPUAJSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829989 554013885 /nfs/dbraw/zinc/01/38/85/554013885.db2.gz KPRPOYUPQPEWNK-ZBLYBZFDSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000034829989 554013881 /nfs/dbraw/zinc/01/38/81/554013881.db2.gz KPRPOYUPQPEWNK-ZBLYBZFDSA-N 1 1 509.697 3.926 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830434 554015684 /nfs/dbraw/zinc/01/56/84/554015684.db2.gz DEMOVKUOLXPNJI-ZBLYBZFDSA-N 1 1 511.688 3.797 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830435 554015615 /nfs/dbraw/zinc/01/56/15/554015615.db2.gz DEMOVKUOLXPNJI-IDISGSTGSA-N 1 1 511.688 3.797 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830474 554016072 /nfs/dbraw/zinc/01/60/72/554016072.db2.gz XDBUSAYNKVEPNJ-NDEPHWFRSA-N 1 1 507.631 3.975 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830475 554016216 /nfs/dbraw/zinc/01/62/16/554016216.db2.gz XDBUSAYNKVEPNJ-MUUNZHRXSA-N 1 1 507.631 3.975 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830488 554016003 /nfs/dbraw/zinc/01/60/03/554016003.db2.gz VIHJYEGITKCRKG-HHHXNRCGSA-N 1 1 521.614 3.938 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830489 554016085 /nfs/dbraw/zinc/01/60/85/554016085.db2.gz VIHJYEGITKCRKG-MHZLTWQESA-N 1 1 521.614 3.938 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830558 554016637 /nfs/dbraw/zinc/01/66/37/554016637.db2.gz YFWXAFMLTMAONR-PPHZAIPVSA-N 1 1 515.651 3.627 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830559 554016433 /nfs/dbraw/zinc/01/64/33/554016433.db2.gz YFWXAFMLTMAONR-WINIVTDRSA-N 1 1 515.651 3.627 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830615 554016581 /nfs/dbraw/zinc/01/65/81/554016581.db2.gz LXOZVQVXEQLWMH-HFZDXXHNSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830616 554016597 /nfs/dbraw/zinc/01/65/97/554016597.db2.gz LXOZVQVXEQLWMH-LVXARBLLSA-N 1 1 509.697 3.926 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830621 554016627 /nfs/dbraw/zinc/01/66/27/554016627.db2.gz SLSVSVQKMCIFGM-SANMLTNESA-N 1 1 513.660 3.758 50 0 KHAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830622 554016500 /nfs/dbraw/zinc/01/65/00/554016500.db2.gz SLSVSVQKMCIFGM-AREMUKBSSA-N 1 1 513.660 3.758 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000034839413 554020764 /nfs/dbraw/zinc/02/07/64/554020764.db2.gz AWUOPAXPBVJEAD-UHFFFAOYSA-N 1 1 529.472 3.715 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000034871692 554022628 /nfs/dbraw/zinc/02/26/28/554022628.db2.gz KNUSZDYONROPQI-UHFFFAOYSA-N 1 1 529.597 3.512 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000034871692 554022626 /nfs/dbraw/zinc/02/26/26/554022626.db2.gz KNUSZDYONROPQI-UHFFFAOYSA-N 1 1 529.597 3.512 50 0 KHAAMO O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034903761 1066840174 /nfs/dbraw/zinc/84/01/74/1066840174.db2.gz MKQRFWLQKPNRNX-SSZFMOIBSA-N 1 1 531.678 3.655 50 0 KHAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034919537 554030650 /nfs/dbraw/zinc/03/06/50/554030650.db2.gz IXFZHNNZODXWRM-QFIPXVFZSA-N 1 1 522.671 3.886 50 0 KHAAMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000034919539 554030794 /nfs/dbraw/zinc/03/07/94/554030794.db2.gz IXFZHNNZODXWRM-JOCHJYFZSA-N 1 1 522.671 3.886 50 0 KHAAMO COc1ccc(C(=O)[C@H]2[C@@]3(c4ccccc4NC3=O)[C@@H]3CCC[N@H+]3[C@]23c2ccccc2NC3=O)cc1OC ZINC000035361865 554044160 /nfs/dbraw/zinc/04/41/60/554044160.db2.gz GKYVNSKNUJRCQJ-RQMUNXDHSA-N 1 1 509.562 3.718 50 0 biogenic KHAAMO Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)c2=O)cc1 ZINC000035372197 554045011 /nfs/dbraw/zinc/04/50/11/554045011.db2.gz SZVBIMMMIDDRTC-QHCPKHFHSA-N 1 1 501.675 3.960 50 0 KHAAMO Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)c2=O)cc1 ZINC000035372200 554044868 /nfs/dbraw/zinc/04/48/68/554044868.db2.gz SZVBIMMMIDDRTC-HSZRJFAPSA-N 1 1 501.675 3.960 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000035379648 554046835 /nfs/dbraw/zinc/04/68/35/554046835.db2.gz OYJAVPQCOQZFSL-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000035379648 554046831 /nfs/dbraw/zinc/04/68/31/554046831.db2.gz OYJAVPQCOQZFSL-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000035379650 554046969 /nfs/dbraw/zinc/04/69/69/554046969.db2.gz OYJAVPQCOQZFSL-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Cl ZINC000035379650 554046964 /nfs/dbraw/zinc/04/69/64/554046964.db2.gz OYJAVPQCOQZFSL-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000035385005 554046925 /nfs/dbraw/zinc/04/69/25/554046925.db2.gz WNWIIVPZYVWOSI-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000035385005 554046921 /nfs/dbraw/zinc/04/69/21/554046921.db2.gz WNWIIVPZYVWOSI-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000035385007 554046863 /nfs/dbraw/zinc/04/68/63/554046863.db2.gz WNWIIVPZYVWOSI-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000035385007 554046859 /nfs/dbraw/zinc/04/68/59/554046859.db2.gz WNWIIVPZYVWOSI-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000035385207 554046952 /nfs/dbraw/zinc/04/69/52/554046952.db2.gz DTVRMMJSKIJTEQ-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000035385207 554046948 /nfs/dbraw/zinc/04/69/48/554046948.db2.gz DTVRMMJSKIJTEQ-HZTMJRFTSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000035385210 554046896 /nfs/dbraw/zinc/04/68/96/554046896.db2.gz DTVRMMJSKIJTEQ-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000035385210 554046892 /nfs/dbraw/zinc/04/68/92/554046892.db2.gz DTVRMMJSKIJTEQ-OODISRMCSA-N 1 1 508.965 3.880 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2c3cc(-c4ccc(Cl)cc4)nn3CCC2=O)cc1 ZINC000035477585 554056474 /nfs/dbraw/zinc/05/64/74/554056474.db2.gz LXULUABWKAQHKW-UHFFFAOYSA-N 1 1 508.022 3.593 50 0 KHAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000035518759 554057679 /nfs/dbraw/zinc/05/76/79/554057679.db2.gz KTQMOAFYOUHWPJ-XXBNENTESA-N 1 1 521.108 3.674 50 0 KHAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)C(=O)C[C@@H]1c1cccc(C)c1 ZINC000035726657 554068605 /nfs/dbraw/zinc/06/86/05/554068605.db2.gz ZNPDVPUVSNSPOY-HHHXNRCGSA-N 1 1 533.669 3.800 50 0 KHAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)C(=O)C[C@H]1c1cccc(C)c1 ZINC000035726660 554068639 /nfs/dbraw/zinc/06/86/39/554068639.db2.gz ZNPDVPUVSNSPOY-MHZLTWQESA-N 1 1 533.669 3.800 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843206 554081652 /nfs/dbraw/zinc/08/16/52/554081652.db2.gz MYUKAGCSYARXIH-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843206 554081648 /nfs/dbraw/zinc/08/16/48/554081648.db2.gz MYUKAGCSYARXIH-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843281 554082086 /nfs/dbraw/zinc/08/20/86/554082086.db2.gz PESJDMASHKWDJY-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843281 554082081 /nfs/dbraw/zinc/08/20/81/554082081.db2.gz PESJDMASHKWDJY-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035843288 554082138 /nfs/dbraw/zinc/08/21/38/554082138.db2.gz URJKLHVZISVBLJ-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843288 554082136 /nfs/dbraw/zinc/08/21/36/554082136.db2.gz URJKLHVZISVBLJ-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000035843312 554082063 /nfs/dbraw/zinc/08/20/63/554082063.db2.gz KVJDWPTYZIFSHS-XUJYPJAKSA-N 1 1 509.562 3.854 50 0 KHAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000035843312 554082059 /nfs/dbraw/zinc/08/20/59/554082059.db2.gz KVJDWPTYZIFSHS-XUJYPJAKSA-N 1 1 509.562 3.854 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035851650 554083645 /nfs/dbraw/zinc/08/36/45/554083645.db2.gz XVLANHLWJJOTKO-PRHHBONVSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851650 554083641 /nfs/dbraw/zinc/08/36/41/554083641.db2.gz XVLANHLWJJOTKO-PRHHBONVSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)c(Br)c1 ZINC000035855654 554084102 /nfs/dbraw/zinc/08/41/02/554084102.db2.gz AXQQJIAHMHKNBO-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)c(Br)c1 ZINC000035855654 554084100 /nfs/dbraw/zinc/08/41/00/554084100.db2.gz AXQQJIAHMHKNBO-DDOIHHOZSA-N 1 1 500.780 3.842 50 0 KHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1 ZINC000035877114 554087817 /nfs/dbraw/zinc/08/78/17/554087817.db2.gz KIPYSZPQMVMUOI-WNCULLNHSA-N 1 1 527.021 3.572 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000035907790 554091959 /nfs/dbraw/zinc/09/19/59/554091959.db2.gz NWMYAFMNUIMEJZ-OFVILXPXSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000035907926 554092491 /nfs/dbraw/zinc/09/24/91/554092491.db2.gz CRAICDOTRHTUCC-ZCYQVOJMSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035908105 554092230 /nfs/dbraw/zinc/09/22/30/554092230.db2.gz FYMVXXRPZSBVBD-LSQMVHIFSA-N 1 1 503.565 3.743 50 0 KHAAMO CC[NH+]1CCN(C(=O)Cc2csc3nc(C)c(-c4cc(C)n(-c5ccc(C)cc5C)n4)c(=O)n23)CC1 ZINC000035911736 554095442 /nfs/dbraw/zinc/09/54/42/554095442.db2.gz BNUVHBUIIBKFIP-UHFFFAOYSA-N 1 1 504.660 3.549 50 0 KHAAMO CCCCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5C)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926430 554099712 /nfs/dbraw/zinc/09/97/12/554099712.db2.gz HZTGUFROJUPOHZ-UHFFFAOYSA-N 1 1 528.701 3.706 50 0 KHAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000035926521 554099608 /nfs/dbraw/zinc/09/96/08/554099608.db2.gz OBWLLZWYWNBXOE-UHFFFAOYSA-N 1 1 510.436 3.517 50 0 KHAAMO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926557 554100073 /nfs/dbraw/zinc/10/00/73/554100073.db2.gz ABCQTDCRQUOETH-XMMPIXPASA-N 1 1 508.711 3.574 50 0 KHAAMO CCCC[C@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926558 554099982 /nfs/dbraw/zinc/09/99/82/554099982.db2.gz ABCQTDCRQUOETH-DEOSSOPVSA-N 1 1 508.711 3.574 50 0 KHAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC4)n3)CC2)cc1C ZINC000035926641 554100061 /nfs/dbraw/zinc/10/00/61/554100061.db2.gz URCXEBZPOLVNHD-JOCHJYFZSA-N 1 1 522.738 3.820 50 0 KHAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@H](C)CC(C)(C)C)CC4)n3)CC2)cc1C ZINC000035926642 554099904 /nfs/dbraw/zinc/09/99/04/554099904.db2.gz URCXEBZPOLVNHD-QFIPXVFZSA-N 1 1 522.738 3.820 50 0 KHAAMO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926643 554100099 /nfs/dbraw/zinc/10/00/99/554100099.db2.gz DJLDSBUKPAKHEZ-XMMPIXPASA-N 1 1 508.711 3.574 50 0 KHAAMO CCCC[C@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926644 554099957 /nfs/dbraw/zinc/09/99/57/554099957.db2.gz DJLDSBUKPAKHEZ-DEOSSOPVSA-N 1 1 508.711 3.574 50 0 KHAAMO CC[C@H](C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926717 554100473 /nfs/dbraw/zinc/10/04/73/554100473.db2.gz YOKMVISQYOPPTM-MHZLTWQESA-N 1 1 528.701 3.551 50 0 KHAAMO CC[C@@H](C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1)c1ccccc1 ZINC000035926718 554100466 /nfs/dbraw/zinc/10/04/66/554100466.db2.gz YOKMVISQYOPPTM-HHHXNRCGSA-N 1 1 528.701 3.551 50 0 KHAAMO Cc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC4)n3)CC2)c1 ZINC000035926733 554100545 /nfs/dbraw/zinc/10/05/45/554100545.db2.gz YAMBAWRRWZKXKW-HSZRJFAPSA-N 1 1 508.711 3.512 50 0 KHAAMO Cc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C[C@H](C)CC(C)(C)C)CC4)n3)CC2)c1 ZINC000035926734 554100488 /nfs/dbraw/zinc/10/04/88/554100488.db2.gz YAMBAWRRWZKXKW-QHCPKHFHSA-N 1 1 508.711 3.512 50 0 KHAAMO CCCCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5cccc(C)c5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926740 554100520 /nfs/dbraw/zinc/10/05/20/554100520.db2.gz ZXNGAFDKRHZDLV-UHFFFAOYSA-N 1 1 528.701 3.706 50 0 KHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991720 554124081 /nfs/dbraw/zinc/12/40/81/554124081.db2.gz PPKPYZUJHFHWHW-KKSFZXQISA-N 1 1 511.541 3.884 50 0 KHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000035991720 554124077 /nfs/dbraw/zinc/12/40/77/554124077.db2.gz PPKPYZUJHFHWHW-KKSFZXQISA-N 1 1 511.541 3.884 50 0 KHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991721 554124095 /nfs/dbraw/zinc/12/40/95/554124095.db2.gz PPKPYZUJHFHWHW-HRAATJIYSA-N 1 1 511.541 3.884 50 0 KHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000035991721 554124090 /nfs/dbraw/zinc/12/40/90/554124090.db2.gz PPKPYZUJHFHWHW-HRAATJIYSA-N 1 1 511.541 3.884 50 0 KHAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2csc(Nc3cc(Cl)ccc3Cl)n2)CC1 ZINC000036009625 554132518 /nfs/dbraw/zinc/13/25/18/554132518.db2.gz WOGNEWQDWJDULL-UHFFFAOYSA-N 1 1 514.479 3.836 50 0 KHAAMO CC[NH+]1CCN(C(=O)CCN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000036013719 554134921 /nfs/dbraw/zinc/13/49/21/554134921.db2.gz NTNVBTOFMVUKTL-SFHVURJKSA-N 1 1 509.434 3.824 50 0 KHAAMO CC[NH+]1CCN(C(=O)CCN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)CC1 ZINC000036013720 554134823 /nfs/dbraw/zinc/13/48/23/554134823.db2.gz NTNVBTOFMVUKTL-GOSISDBHSA-N 1 1 509.434 3.824 50 0 KHAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 ZINC000036028417 554141893 /nfs/dbraw/zinc/14/18/93/554141893.db2.gz HVBFMQPUYPQBPR-UHFFFAOYSA-N 1 1 505.644 3.742 50 0 KHAAMO CC(C)Cn1c(CN(CC[NH+](C)C)C(=S)NC2CC2)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036032045 554145499 /nfs/dbraw/zinc/14/54/99/554145499.db2.gz QXGDNUJMXMZHNK-UHFFFAOYSA-N 1 1 512.145 3.567 50 0 KHAAMO CC(C)Cn1c(CN(CC[NH+](C)C)C(=S)NC(C)C)cnc1S(=O)(=O)Cc1cccc(Cl)c1 ZINC000036032047 554145483 /nfs/dbraw/zinc/14/54/83/554145483.db2.gz CEKSTXBFMHYLJZ-UHFFFAOYSA-N 1 1 514.161 3.813 50 0 KHAAMO CC(C)NC(=S)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1Cc1ccccc1 ZINC000036040682 554149826 /nfs/dbraw/zinc/14/98/26/554149826.db2.gz NPSYSFXHLWCCGO-UHFFFAOYSA-N 1 1 531.723 3.691 50 0 KHAAMO CC(C)NC(=S)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1 ZINC000036040702 554150148 /nfs/dbraw/zinc/15/01/48/554150148.db2.gz UDHIWVDACKNGMP-UHFFFAOYSA-N 1 1 531.723 3.691 50 0 KHAAMO CC(C)NC(=S)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000036040723 554150177 /nfs/dbraw/zinc/15/01/77/554150177.db2.gz KXJGXDOPOZHYBZ-UHFFFAOYSA-N 1 1 513.733 3.552 50 0 KHAAMO C[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4ccncc4)cc3)n2)CC1 ZINC000036045199 554153489 /nfs/dbraw/zinc/15/34/89/554153489.db2.gz MANHHDAURASPCQ-UHFFFAOYSA-N 1 1 502.566 3.865 50 0 KHAAMO C[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000036045201 554153574 /nfs/dbraw/zinc/15/35/74/554153574.db2.gz LCIIVFWDNVUVHJ-UHFFFAOYSA-N 1 1 516.593 3.907 50 0 KHAAMO C[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4cccnc4)cc3)n2)CC1 ZINC000036045207 554153459 /nfs/dbraw/zinc/15/34/59/554153459.db2.gz LKMBVFCCXVATLY-UHFFFAOYSA-N 1 1 502.566 3.865 50 0 KHAAMO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036053839 554158817 /nfs/dbraw/zinc/15/88/17/554158817.db2.gz JDHSEWXXYWEVAV-UHFFFAOYSA-N 1 1 520.678 3.931 50 0 KHAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)cc1 ZINC000036063962 554162578 /nfs/dbraw/zinc/16/25/78/554162578.db2.gz PLUCIJQARFBFAX-UHFFFAOYSA-N 1 1 501.631 3.771 50 0 KHAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)cc1 ZINC000036063962 554162575 /nfs/dbraw/zinc/16/25/75/554162575.db2.gz PLUCIJQARFBFAX-UHFFFAOYSA-N 1 1 501.631 3.771 50 0 KHAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)c1 ZINC000036064009 554162603 /nfs/dbraw/zinc/16/26/03/554162603.db2.gz RGEMZXVKXMXUPC-UHFFFAOYSA-N 1 1 501.631 3.771 50 0 KHAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCN3CCOCC3)co2)c1 ZINC000036064009 554162600 /nfs/dbraw/zinc/16/26/00/554162600.db2.gz RGEMZXVKXMXUPC-UHFFFAOYSA-N 1 1 501.631 3.771 50 0 KHAAMO CCOC(=O)c1sc2nc(C[N@@H+](C[C@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207244 554202568 /nfs/dbraw/zinc/20/25/68/554202568.db2.gz CZJAWBROGQBADS-SFHVURJKSA-N 1 1 503.621 3.775 50 0 KHAAMO CCOC(=O)c1sc2nc(C[N@@H+](C[C@@H](O)COCc3ccco3)C3CCCCC3)[nH]c(=O)c2c1C ZINC000036207245 554202616 /nfs/dbraw/zinc/20/26/16/554202616.db2.gz CZJAWBROGQBADS-GOSISDBHSA-N 1 1 503.621 3.775 50 0 KHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036208267 554202993 /nfs/dbraw/zinc/20/29/93/554202993.db2.gz CTLCIIBEDPWTQH-MHZLTWQESA-N 1 1 522.690 3.900 50 0 KHAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036208268 554202981 /nfs/dbraw/zinc/20/29/81/554202981.db2.gz CTLCIIBEDPWTQH-HHHXNRCGSA-N 1 1 522.690 3.900 50 0 KHAAMO C[NH+]1CCN(C(=O)[C@@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220931 554209499 /nfs/dbraw/zinc/20/94/99/554209499.db2.gz GJUSIWZWAWOWJO-ZEQRLZLVSA-N 1 1 522.602 3.976 50 0 KHAAMO C[NH+]1CCN(C(=O)[C@H]2[C@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220934 554209442 /nfs/dbraw/zinc/20/94/42/554209442.db2.gz GJUSIWZWAWOWJO-RPWUZVMVSA-N 1 1 522.602 3.976 50 0 KHAAMO C[NH+]1CCN(C(=O)[C@@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220938 554209463 /nfs/dbraw/zinc/20/94/63/554209463.db2.gz GJUSIWZWAWOWJO-BJKOFHAPSA-N 1 1 522.602 3.976 50 0 KHAAMO C[NH+]1CCN(C(=O)[C@H]2[C@@H](c3ccc(NC(=O)c4cccs4)cc3)OC(=O)N2Cc2cccc(F)c2)CC1 ZINC000036220942 554209530 /nfs/dbraw/zinc/20/95/30/554209530.db2.gz GJUSIWZWAWOWJO-DNQXCXABSA-N 1 1 522.602 3.976 50 0 KHAAMO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036249702 554210113 /nfs/dbraw/zinc/21/01/13/554210113.db2.gz YWKKVCFSRCEBNN-VWLOTQADSA-N 1 1 513.610 3.734 50 0 KHAAMO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036249703 554210110 /nfs/dbraw/zinc/21/01/10/554210110.db2.gz YWKKVCFSRCEBNN-RUZDIDTESA-N 1 1 513.610 3.734 50 0 KHAAMO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COc1ccccc1C ZINC000036249712 554210201 /nfs/dbraw/zinc/21/02/01/554210201.db2.gz GOTOOOXAXFGWIW-XMMPIXPASA-N 1 1 513.610 3.904 50 0 KHAAMO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H](O)COc1ccccc1C ZINC000036249713 554210107 /nfs/dbraw/zinc/21/01/07/554210107.db2.gz GOTOOOXAXFGWIW-DEOSSOPVSA-N 1 1 513.610 3.904 50 0 KHAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249720 554210094 /nfs/dbraw/zinc/21/00/94/554210094.db2.gz QKNDXRKLKKBHMM-FTJBHMTQSA-N 1 1 525.621 3.876 50 0 KHAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249721 554210116 /nfs/dbraw/zinc/21/01/16/554210116.db2.gz QKNDXRKLKKBHMM-UIOOFZCWSA-N 1 1 525.621 3.876 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256885 554210967 /nfs/dbraw/zinc/21/09/67/554210967.db2.gz QSTMPOJKYWVMPT-AJTFRIOCSA-N 1 1 519.130 3.803 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036256889 554211004 /nfs/dbraw/zinc/21/10/04/554211004.db2.gz QSTMPOJKYWVMPT-WXVAWEFUSA-N 1 1 519.130 3.803 50 0 KHAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302326 554212327 /nfs/dbraw/zinc/21/23/27/554212327.db2.gz OEAAGHNECNPHAG-RUZDIDTESA-N 1 1 506.647 3.887 50 0 KHAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302329 554212212 /nfs/dbraw/zinc/21/22/12/554212212.db2.gz OEAAGHNECNPHAG-VWLOTQADSA-N 1 1 506.647 3.887 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036302805 554212973 /nfs/dbraw/zinc/21/29/73/554212973.db2.gz PKLUJMRTEOJQBG-XMMPIXPASA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036302805 554212970 /nfs/dbraw/zinc/21/29/70/554212970.db2.gz PKLUJMRTEOJQBG-XMMPIXPASA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036302807 554212994 /nfs/dbraw/zinc/21/29/94/554212994.db2.gz PKLUJMRTEOJQBG-DEOSSOPVSA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036302807 554212991 /nfs/dbraw/zinc/21/29/91/554212991.db2.gz PKLUJMRTEOJQBG-DEOSSOPVSA-N 1 1 506.647 3.893 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000036308637 554216879 /nfs/dbraw/zinc/21/68/79/554216879.db2.gz UWRPLLSNNGEQRD-VPUSJEBWSA-N 1 1 506.647 3.647 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000036308637 554216877 /nfs/dbraw/zinc/21/68/77/554216877.db2.gz UWRPLLSNNGEQRD-VPUSJEBWSA-N 1 1 506.647 3.647 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000036308641 554216659 /nfs/dbraw/zinc/21/66/59/554216659.db2.gz UWRPLLSNNGEQRD-XNMGPUDCSA-N 1 1 506.647 3.647 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000036308641 554216656 /nfs/dbraw/zinc/21/66/56/554216656.db2.gz UWRPLLSNNGEQRD-XNMGPUDCSA-N 1 1 506.647 3.647 50 0 KHAAMO COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000036309313 554217132 /nfs/dbraw/zinc/21/71/32/554217132.db2.gz LMOZQHKGDPOHTA-BWKNWUBXSA-N 1 1 502.677 3.759 50 0 KHAAMO COc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000036309314 554217246 /nfs/dbraw/zinc/21/72/46/554217246.db2.gz LMOZQHKGDPOHTA-OFVILXPXSA-N 1 1 502.677 3.759 50 0 KHAAMO COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036312921 554218957 /nfs/dbraw/zinc/21/89/57/554218957.db2.gz GMVLZHIYVBREAF-UHFFFAOYSA-N 1 1 516.639 3.768 50 0 KHAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313392 554218874 /nfs/dbraw/zinc/21/88/74/554218874.db2.gz GXDDIZBLQSUDOA-RPWUZVMVSA-N 1 1 525.621 3.876 50 0 KHAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313393 554218901 /nfs/dbraw/zinc/21/89/01/554218901.db2.gz GXDDIZBLQSUDOA-ZEQRLZLVSA-N 1 1 525.621 3.876 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036316420 554219564 /nfs/dbraw/zinc/21/95/64/554219564.db2.gz MHGVBCTVDTWJDN-XMMPIXPASA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000036316420 554219561 /nfs/dbraw/zinc/21/95/61/554219561.db2.gz MHGVBCTVDTWJDN-XMMPIXPASA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036316421 554219631 /nfs/dbraw/zinc/21/96/31/554219631.db2.gz MHGVBCTVDTWJDN-DEOSSOPVSA-N 1 1 506.647 3.893 50 0 KHAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000036316421 554219628 /nfs/dbraw/zinc/21/96/28/554219628.db2.gz MHGVBCTVDTWJDN-DEOSSOPVSA-N 1 1 506.647 3.893 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341253 554220803 /nfs/dbraw/zinc/22/08/03/554220803.db2.gz KEVAVRLQOGBIBZ-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341253 554220799 /nfs/dbraw/zinc/22/07/99/554220799.db2.gz KEVAVRLQOGBIBZ-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341254 554220927 /nfs/dbraw/zinc/22/09/27/554220927.db2.gz KEVAVRLQOGBIBZ-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc(OC)cc2)C1 ZINC000036341254 554220922 /nfs/dbraw/zinc/22/09/22/554220922.db2.gz KEVAVRLQOGBIBZ-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341846 554221282 /nfs/dbraw/zinc/22/12/82/554221282.db2.gz IDVYZHVKJJESOJ-MHZLTWQESA-N 1 1 512.610 3.919 50 0 KHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341847 554221097 /nfs/dbraw/zinc/22/10/97/554221097.db2.gz IDVYZHVKJJESOJ-HHHXNRCGSA-N 1 1 512.610 3.919 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343242 554221604 /nfs/dbraw/zinc/22/16/04/554221604.db2.gz JXNCZHYQUXQTNE-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343242 554221599 /nfs/dbraw/zinc/22/15/99/554221599.db2.gz JXNCZHYQUXQTNE-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343243 554221649 /nfs/dbraw/zinc/22/16/49/554221649.db2.gz JXNCZHYQUXQTNE-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343243 554221646 /nfs/dbraw/zinc/22/16/46/554221646.db2.gz JXNCZHYQUXQTNE-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343305 554222026 /nfs/dbraw/zinc/22/20/26/554222026.db2.gz AVRAHLMBCCHMEA-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343305 554222023 /nfs/dbraw/zinc/22/20/23/554222023.db2.gz AVRAHLMBCCHMEA-NLFFAJNJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343307 554221851 /nfs/dbraw/zinc/22/18/51/554221851.db2.gz AVRAHLMBCCHMEA-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036343307 554221848 /nfs/dbraw/zinc/22/18/48/554221848.db2.gz AVRAHLMBCCHMEA-CPJSRVTESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344482 554223269 /nfs/dbraw/zinc/22/32/69/554223269.db2.gz KJOMXPHCBBJYTF-DVECYGJZSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344482 554223265 /nfs/dbraw/zinc/22/32/65/554223265.db2.gz KJOMXPHCBBJYTF-DVECYGJZSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344483 554223399 /nfs/dbraw/zinc/22/33/99/554223399.db2.gz KJOMXPHCBBJYTF-CYFREDJKSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000036344483 554223395 /nfs/dbraw/zinc/22/33/95/554223395.db2.gz KJOMXPHCBBJYTF-CYFREDJKSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345311 554223716 /nfs/dbraw/zinc/22/37/16/554223716.db2.gz DJRZNXYVQHRCTG-OFNKIYASSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345311 554223714 /nfs/dbraw/zinc/22/37/14/554223714.db2.gz DJRZNXYVQHRCTG-OFNKIYASSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345312 554223661 /nfs/dbraw/zinc/22/36/61/554223661.db2.gz DJRZNXYVQHRCTG-REWPJTCUSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccccc2OC)C1 ZINC000036345312 554223659 /nfs/dbraw/zinc/22/36/59/554223659.db2.gz DJRZNXYVQHRCTG-REWPJTCUSA-N 1 1 509.603 3.665 50 0 KHAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369498 554224299 /nfs/dbraw/zinc/22/42/99/554224299.db2.gz CWWJSEGCCZBEOE-FEHIMPAZSA-N 1 1 516.682 3.783 50 0 biogenic KHAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)NCC(C)C)n2)cc1 ZINC000037263817 554231231 /nfs/dbraw/zinc/23/12/31/554231231.db2.gz ASAORHCIYGLBTQ-UHFFFAOYSA-N 1 1 505.663 3.996 50 0 KHAAMO CC[NH+]1CCN(C(=O)CCN(CCCN2CCOCC2)c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000037383018 554237963 /nfs/dbraw/zinc/23/79/63/554237963.db2.gz ZIQASMQLNBHBTF-UHFFFAOYSA-N 1 1 534.680 3.519 50 0 KHAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)N3CCCC3)n2)cc1 ZINC000037384503 554238407 /nfs/dbraw/zinc/23/84/07/554238407.db2.gz RNHSKQMJSKZIGA-UHFFFAOYSA-N 1 1 503.647 3.847 50 0 KHAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)N1CCOCC1 ZINC000037384646 554238569 /nfs/dbraw/zinc/23/85/69/554238569.db2.gz HNACZVMAZLDMPN-UHFFFAOYSA-N 1 1 524.065 3.728 50 0 KHAAMO COCCNC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000037384669 554238796 /nfs/dbraw/zinc/23/87/96/554238796.db2.gz KITIVAQDVMAUBL-UHFFFAOYSA-N 1 1 512.054 3.632 50 0 KHAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613876 554258606 /nfs/dbraw/zinc/25/86/06/554258606.db2.gz BZSPUFDTGNJYHF-HHHXNRCGSA-N 1 1 522.045 3.948 50 0 KHAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613876 554258602 /nfs/dbraw/zinc/25/86/02/554258602.db2.gz BZSPUFDTGNJYHF-HHHXNRCGSA-N 1 1 522.045 3.948 50 0 KHAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613877 554258474 /nfs/dbraw/zinc/25/84/74/554258474.db2.gz BZSPUFDTGNJYHF-MHZLTWQESA-N 1 1 522.045 3.948 50 0 KHAAMO O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000037613877 554258470 /nfs/dbraw/zinc/25/84/70/554258470.db2.gz BZSPUFDTGNJYHF-MHZLTWQESA-N 1 1 522.045 3.948 50 0 KHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@@H]2C)c1 ZINC000038139291 554259875 /nfs/dbraw/zinc/25/98/75/554259875.db2.gz UOSJYDWHBBYCAJ-LOSJGSFVSA-N 1 1 544.748 3.795 50 0 KHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000038140324 554263051 /nfs/dbraw/zinc/26/30/51/554263051.db2.gz SVFHXBCOOJTBQU-KPKJPENVSA-N 1 1 534.629 3.866 50 0 KHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000038147100 554270113 /nfs/dbraw/zinc/27/01/13/554270113.db2.gz IHUZQICHNGJPFO-LJQANCHMSA-N 1 1 540.064 3.548 50 0 KHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc21 ZINC000038147101 554270139 /nfs/dbraw/zinc/27/01/39/554270139.db2.gz IHUZQICHNGJPFO-IBGZPJMESA-N 1 1 540.064 3.548 50 0 KHAAMO O=C(CC[NH+]1CCOCC1)Nc1cc(C(=O)Nc2ccccc2F)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038150067 554271229 /nfs/dbraw/zinc/27/12/29/554271229.db2.gz QXQZAFOHSWCFPF-GGAORHGYSA-N 1 1 559.642 3.524 50 0 KHAAMO CCOc1ccc(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000038150073 554271257 /nfs/dbraw/zinc/27/12/57/554271257.db2.gz AFIIZPQSUHPHLG-NOZRDPDXSA-N 1 1 585.705 3.784 50 0 KHAAMO O=C(c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[nH]c2=S)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000038154849 554273583 /nfs/dbraw/zinc/27/35/83/554273583.db2.gz CNGBQAJKFWONFX-UHFFFAOYSA-N 1 1 547.725 3.661 50 0 KHAAMO O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000038154859 554273680 /nfs/dbraw/zinc/27/36/80/554273680.db2.gz PUQIYISPSMAAES-UHFFFAOYSA-N 1 1 598.729 3.580 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000039950826 554281671 /nfs/dbraw/zinc/28/16/71/554281671.db2.gz MHYRXIQJRCPVSR-ANKKVJNISA-N 1 1 502.574 3.843 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000039950826 554281668 /nfs/dbraw/zinc/28/16/68/554281668.db2.gz MHYRXIQJRCPVSR-ANKKVJNISA-N 1 1 502.574 3.843 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[N@H+](CC)Cc3ccccc3)cc21 ZINC000040450361 554285254 /nfs/dbraw/zinc/28/52/54/554285254.db2.gz KSPSIGQKBGBNLS-UHFFFAOYSA-N 1 1 508.482 3.939 50 0 KHAAMO C[N@@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Cc1ccccc1 ZINC000040450530 554285499 /nfs/dbraw/zinc/28/54/99/554285499.db2.gz CISKWHNGPBROAT-UHFFFAOYSA-N 1 1 506.466 3.549 50 0 KHAAMO CC[N@@H+](CCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Cc1ccccc1 ZINC000040450540 554285470 /nfs/dbraw/zinc/28/54/70/554285470.db2.gz VEWMUDOQFLBESI-UHFFFAOYSA-N 1 1 520.493 3.939 50 0 KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000043741527 554299034 /nfs/dbraw/zinc/29/90/34/554299034.db2.gz NAPQXLKGNVTDGM-XOUAGPDTSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC ZINC000043741527 554299031 /nfs/dbraw/zinc/29/90/31/554299031.db2.gz NAPQXLKGNVTDGM-XOUAGPDTSA-N 1 1 519.642 3.745 50 0 biogenic KHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000044459641 554301800 /nfs/dbraw/zinc/30/18/00/554301800.db2.gz USQFTJRDRWWXGG-PKTZIBPZSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000044459641 554301798 /nfs/dbraw/zinc/30/17/98/554301798.db2.gz USQFTJRDRWWXGG-PKTZIBPZSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000044459642 554301794 /nfs/dbraw/zinc/30/17/94/554301794.db2.gz USQFTJRDRWWXGG-GOTSBHOMSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000044459642 554301792 /nfs/dbraw/zinc/30/17/92/554301792.db2.gz USQFTJRDRWWXGG-GOTSBHOMSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc(C(=O)OCc2c3c(c(OC)c4c2CC[NH2+][C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000044459643 554301845 /nfs/dbraw/zinc/30/18/45/554301845.db2.gz PAWXSZRZCVJSBP-RPWUZVMVSA-N 1 1 563.559 3.905 50 0 KHAAMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000044802714 554303304 /nfs/dbraw/zinc/30/33/04/554303304.db2.gz MSFNGRCHRNMGMR-UHFFFAOYSA-N 1 1 523.655 3.552 50 0 KHAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000059485826 554397806 /nfs/dbraw/zinc/39/78/06/554397806.db2.gz SQENOGOMTDMMCZ-RRWMQESRSA-N 1 1 507.546 3.738 50 0 biogenic KHAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(C)cc(C)c2)cc1OC ZINC000059652069 554419317 /nfs/dbraw/zinc/41/93/17/554419317.db2.gz AGHYMPKTBQTBMX-UHFFFAOYSA-N 1 1 537.682 3.860 50 0 KHAAMO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059771883 554428701 /nfs/dbraw/zinc/42/87/01/554428701.db2.gz JBXAZTKHIDBCPO-UHFFFAOYSA-N 1 1 540.085 3.908 50 0 KHAAMO CC[NH+]1CCN(C(=S)c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)CC1 ZINC000059895792 554472377 /nfs/dbraw/zinc/47/23/77/554472377.db2.gz CXCJIXXITVFURC-UHFFFAOYSA-N 1 1 553.466 3.939 50 0 KHAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000061999351 554506079 /nfs/dbraw/zinc/50/60/79/554506079.db2.gz IWFBVFXBYUHHJW-RRWMQESRSA-N 1 1 509.562 3.718 50 0 biogenic KHAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000061999381 554506398 /nfs/dbraw/zinc/50/63/98/554506398.db2.gz GFVGSZYUHYHJSG-RGRUVFKLSA-N 1 1 507.546 3.738 50 0 biogenic KHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000063529037 554509647 /nfs/dbraw/zinc/50/96/47/554509647.db2.gz HXWYHUOQHGZAFZ-UHFFFAOYSA-N 1 1 514.099 3.915 50 0 KHAAMO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5cccc(OC)c5OC)CC4)c3C2=O)cc1 ZINC000064053484 554510482 /nfs/dbraw/zinc/51/04/82/554510482.db2.gz AFJVARUWIJYGLV-UHFFFAOYSA-N 1 1 501.583 3.831 50 0 KHAAMO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[NH+]4CCOCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703749 554514113 /nfs/dbraw/zinc/51/41/13/554514113.db2.gz MKHMKRYTHBULBT-UHFFFAOYSA-N 1 1 513.712 3.505 50 0 KHAAMO O=C(CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064947365 554520340 /nfs/dbraw/zinc/52/03/40/554520340.db2.gz PZWURDMIOJAXKM-UHFFFAOYSA-N 1 1 500.006 3.974 50 0 KHAAMO Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C)c(N3CC[NH+](Cc4ccccc4)CC3)cc1O2 ZINC000064986705 554524103 /nfs/dbraw/zinc/52/41/03/554524103.db2.gz UZCISMRWOCPGRM-UHFFFAOYSA-N 1 1 506.628 3.926 50 0 KHAAMO CCn1c2c(C(=O)NCc3cccc(Cl)c3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000065330864 554526543 /nfs/dbraw/zinc/52/65/43/554526543.db2.gz PDERULSZQURTSL-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO CCn1c2c(C(=O)NCc3cccc(Cl)c3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000065330864 554526539 /nfs/dbraw/zinc/52/65/39/554526539.db2.gz PDERULSZQURTSL-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO CCn1c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000065330865 554526591 /nfs/dbraw/zinc/52/65/91/554526591.db2.gz NILISRWEHGNFGF-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO CCn1c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000065330865 554526588 /nfs/dbraw/zinc/52/65/88/554526588.db2.gz NILISRWEHGNFGF-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO CCOC(=O)c1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000065330867 554526513 /nfs/dbraw/zinc/52/65/13/554526513.db2.gz UZBWRKSOIXMBSU-UHFFFAOYSA-N 1 1 529.597 3.512 50 0 KHAAMO CCOC(=O)c1cccc(NC(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000065330867 554526509 /nfs/dbraw/zinc/52/65/09/554526509.db2.gz UZBWRKSOIXMBSU-UHFFFAOYSA-N 1 1 529.597 3.512 50 0 KHAAMO CCn1c2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000065330868 554526638 /nfs/dbraw/zinc/52/66/38/554526638.db2.gz OQXAZOOGHVPPFR-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO CCn1c2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000065330868 554526636 /nfs/dbraw/zinc/52/66/36/554526636.db2.gz OQXAZOOGHVPPFR-UHFFFAOYSA-N 1 1 506.006 3.666 50 0 KHAAMO O=C1c2cccc(N3CC[NH+](Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000067447190 554532770 /nfs/dbraw/zinc/53/27/70/554532770.db2.gz CGTBZMQLPFVBMX-NRFANRHFSA-N 1 1 506.006 3.827 50 0 KHAAMO O=C1c2cccc(N3CC[NH+](Cc4c[nH]nc4-c4ccc(Cl)cc4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000067447191 554532699 /nfs/dbraw/zinc/53/26/99/554532699.db2.gz CGTBZMQLPFVBMX-OAQYLSRUSA-N 1 1 506.006 3.827 50 0 KHAAMO CN1C(=O)N(C)C(=O)C(Cc2cn(Cc3ccccc3)c3ccccc23)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000070670152 553600644 /nfs/dbraw/zinc/60/06/44/553600644.db2.gz RUSKPGPMAGLNKE-RPBOFIJWSA-N 1 1 577.685 3.550 50 0 biogenic KHAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3cccc4ccccc43)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670217 553600872 /nfs/dbraw/zinc/60/08/72/553600872.db2.gz VTGBWQUPDWFOIK-MNSKVMIUSA-N 1 1 560.654 3.928 50 0 biogenic KHAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3cccc4ccccc43)C(=O)NC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000070670218 553600898 /nfs/dbraw/zinc/60/08/98/553600898.db2.gz VTGBWQUPDWFOIK-YPESTHEKSA-N 1 1 560.654 3.928 50 0 biogenic KHAAMO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCC[NH+]4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070701441 553622090 /nfs/dbraw/zinc/62/20/90/553622090.db2.gz YEQFEQLPKSJZOR-BNHRFMORSA-N 1 1 560.695 3.719 50 0 biogenic KHAAMO CCCOc1ccc([C@H]2CN3C(=O)CN(CCC[NH+]4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070701443 553622125 /nfs/dbraw/zinc/62/21/25/553622125.db2.gz YEQFEQLPKSJZOR-QNLPTKCRSA-N 1 1 560.695 3.719 50 0 biogenic KHAAMO COc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712176 553633522 /nfs/dbraw/zinc/63/35/22/553633522.db2.gz DAKWRZLARHZNSH-OZSMRWMWSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712177 553633482 /nfs/dbraw/zinc/63/34/82/553633482.db2.gz DAKWRZLARHZNSH-OREFXHGKSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712179 553633388 /nfs/dbraw/zinc/63/33/88/553633388.db2.gz DAKWRZLARHZNSH-VIKVLLDXSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712181 553633415 /nfs/dbraw/zinc/63/34/15/553633415.db2.gz DAKWRZLARHZNSH-NRIYUKMNSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712190 553633542 /nfs/dbraw/zinc/63/35/42/553633542.db2.gz HOQIEASJIWGZLJ-RXWXGCHASA-N 1 1 547.615 3.725 50 0 biogenic KHAAMO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712191 553633371 /nfs/dbraw/zinc/63/33/71/553633371.db2.gz HOQIEASJIWGZLJ-HICLHYEGSA-N 1 1 547.615 3.725 50 0 biogenic KHAAMO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712193 553633508 /nfs/dbraw/zinc/63/35/08/553633508.db2.gz HOQIEASJIWGZLJ-YZBPACDBSA-N 1 1 547.615 3.725 50 0 biogenic KHAAMO CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712195 553633515 /nfs/dbraw/zinc/63/35/15/553633515.db2.gz HOQIEASJIWGZLJ-DXHIYDNGSA-N 1 1 547.615 3.725 50 0 biogenic KHAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712197 553633489 /nfs/dbraw/zinc/63/34/89/553633489.db2.gz OZLXOQNGWOTNQH-RXWXGCHASA-N 1 1 548.599 3.692 50 0 biogenic KHAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712199 553633535 /nfs/dbraw/zinc/63/35/35/553633535.db2.gz OZLXOQNGWOTNQH-HICLHYEGSA-N 1 1 548.599 3.692 50 0 biogenic KHAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712200 553633427 /nfs/dbraw/zinc/63/34/27/553633427.db2.gz OZLXOQNGWOTNQH-YZBPACDBSA-N 1 1 548.599 3.692 50 0 biogenic KHAAMO CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712201 553633460 /nfs/dbraw/zinc/63/34/60/553633460.db2.gz OZLXOQNGWOTNQH-DXHIYDNGSA-N 1 1 548.599 3.692 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712229 553633641 /nfs/dbraw/zinc/63/36/41/553633641.db2.gz YTXRGEUFEWAHGI-VYCABWRCSA-N 1 1 562.626 3.943 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712230 553633762 /nfs/dbraw/zinc/63/37/62/553633762.db2.gz YTXRGEUFEWAHGI-POMQSVLWSA-N 1 1 562.626 3.943 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712234 553633744 /nfs/dbraw/zinc/63/37/44/553633744.db2.gz YTXRGEUFEWAHGI-UFAFVJBKSA-N 1 1 562.626 3.943 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712235 553633620 /nfs/dbraw/zinc/63/36/20/553633620.db2.gz YTXRGEUFEWAHGI-HRXINVHESA-N 1 1 562.626 3.943 50 0 biogenic KHAAMO COc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712246 553633791 /nfs/dbraw/zinc/63/37/91/553633791.db2.gz GZPVYIQOYKXUSP-JPUNLMIZSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712247 553633736 /nfs/dbraw/zinc/63/37/36/553633736.db2.gz GZPVYIQOYKXUSP-SDKBUELTSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1cccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712248 553633673 /nfs/dbraw/zinc/63/36/73/553633673.db2.gz GZPVYIQOYKXUSP-NYMOBWSISA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1cccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000070712249 553633753 /nfs/dbraw/zinc/63/37/53/553633753.db2.gz GZPVYIQOYKXUSP-ICIKWEMMSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712270 553633682 /nfs/dbraw/zinc/63/36/82/553633682.db2.gz AVFBKEMEDHVKBB-JPUNLMIZSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712272 553633695 /nfs/dbraw/zinc/63/36/95/553633695.db2.gz AVFBKEMEDHVKBB-SDKBUELTSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712273 553633666 /nfs/dbraw/zinc/63/36/66/553633666.db2.gz AVFBKEMEDHVKBB-NYMOBWSISA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COc1ccc(N2C(=O)[C@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712275 553633600 /nfs/dbraw/zinc/63/36/00/553633600.db2.gz AVFBKEMEDHVKBB-ICIKWEMMSA-N 1 1 520.589 3.775 50 0 biogenic KHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712286 553633987 /nfs/dbraw/zinc/63/39/87/553633987.db2.gz JLNQDANHHJTZQX-GGYSATMWSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712287 553633950 /nfs/dbraw/zinc/63/39/50/553633950.db2.gz JLNQDANHHJTZQX-IACSHWSRSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712289 553634083 /nfs/dbraw/zinc/63/40/83/553634083.db2.gz JLNQDANHHJTZQX-OZTFVONUSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000070712291 553633934 /nfs/dbraw/zinc/63/39/34/553633934.db2.gz JLNQDANHHJTZQX-DXXKLULQSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712365 553633979 /nfs/dbraw/zinc/63/39/79/553633979.db2.gz MKCCVWPOXJROOY-KUXNCQQFSA-N 1 1 518.573 3.579 50 0 biogenic KHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712366 553634002 /nfs/dbraw/zinc/63/40/02/553634002.db2.gz MKCCVWPOXJROOY-PCEYSVKOSA-N 1 1 518.573 3.579 50 0 biogenic KHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712368 553634334 /nfs/dbraw/zinc/63/43/34/553634334.db2.gz MKCCVWPOXJROOY-YSRRZRNESA-N 1 1 518.573 3.579 50 0 biogenic KHAAMO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712370 553634272 /nfs/dbraw/zinc/63/42/72/553634272.db2.gz MKCCVWPOXJROOY-ZGQJUUMOSA-N 1 1 518.573 3.579 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712377 553634238 /nfs/dbraw/zinc/63/42/38/553634238.db2.gz JGESCIUGARWNKA-WRZBRUQPSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712379 553634352 /nfs/dbraw/zinc/63/43/52/553634352.db2.gz JGESCIUGARWNKA-ZYMMPZCLSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712380 553634258 /nfs/dbraw/zinc/63/42/58/553634258.db2.gz JGESCIUGARWNKA-UOJGMACNSA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)C)[NH2+][C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712382 553634281 /nfs/dbraw/zinc/63/42/81/553634281.db2.gz JGESCIUGARWNKA-XPZOENDESA-N 1 1 548.599 3.553 50 0 biogenic KHAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072172318 553645209 /nfs/dbraw/zinc/64/52/09/553645209.db2.gz WWHXVIWERXOJII-UHFFFAOYSA-N 1 1 554.068 3.785 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000072186822 553645679 /nfs/dbraw/zinc/64/56/79/553645679.db2.gz KFDDPVMIQMFHBI-VLEVAUIJSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000072186822 553645676 /nfs/dbraw/zinc/64/56/76/553645676.db2.gz KFDDPVMIQMFHBI-VLEVAUIJSA-N 1 1 578.662 3.919 50 0 KHAAMO CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CC[NH+](C)CC5)o4)c(=O)n32)cc1 ZINC000072189940 553645945 /nfs/dbraw/zinc/64/59/45/553645945.db2.gz WVDBOWMWAJGJJI-ZMVORIFESA-N 1 1 583.714 3.617 50 0 KHAAMO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000084466238 553677203 /nfs/dbraw/zinc/67/72/03/553677203.db2.gz ANJWGYQQGXYHGI-HSZRJFAPSA-N 1 1 501.627 3.617 50 0 KHAAMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000084466239 553677360 /nfs/dbraw/zinc/67/73/60/553677360.db2.gz ANJWGYQQGXYHGI-QHCPKHFHSA-N 1 1 501.627 3.617 50 0 KHAAMO CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)ncc1Cl ZINC000084617535 553677695 /nfs/dbraw/zinc/67/76/95/553677695.db2.gz YUAALFPUEOYPNX-UHFFFAOYSA-N 1 1 516.071 3.615 50 0 in-vitro KHAAMO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000085896155 553690890 /nfs/dbraw/zinc/69/08/90/553690890.db2.gz CWWJSEGCCZBEOE-OAJNOXEISA-N 1 1 516.682 3.783 50 0 biogenic KHAAMO O=C1C[C@@H]([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000095101416 553700318 /nfs/dbraw/zinc/70/03/18/553700318.db2.gz QGHSSYSDDFZVRT-GOSISDBHSA-N 1 1 508.210 3.827 50 0 KHAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000095399200 553701058 /nfs/dbraw/zinc/70/10/58/553701058.db2.gz KJHQLDSMIUCYRW-IBGZPJMESA-N 1 1 500.340 3.679 50 0 KHAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(OC)c(OC)c3)c2)CC1 ZINC000096095945 553724036 /nfs/dbraw/zinc/72/40/36/553724036.db2.gz CXRVYBOXOBYJGX-ZIADKAODSA-N 1 1 522.671 3.751 50 0 KHAAMO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000096134162 553727120 /nfs/dbraw/zinc/72/71/20/553727120.db2.gz OCAABPNUDJEPCV-XMMPIXPASA-N 1 1 515.654 3.791 50 0 KHAAMO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000096172010 553727138 /nfs/dbraw/zinc/72/71/38/553727138.db2.gz FVKSTSJKKBSPQC-DEOSSOPVSA-N 1 1 515.654 3.925 50 0 KHAAMO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000096174209 553727253 /nfs/dbraw/zinc/72/72/53/553727253.db2.gz HDAJDNHIBCDLQF-RUZDIDTESA-N 1 1 587.688 3.691 50 0 in-vitro KHAAMO CC(C)NC(=S)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C ZINC000096211346 553729841 /nfs/dbraw/zinc/72/98/41/553729841.db2.gz SWWZAMXAMVSKEQ-UHFFFAOYSA-N 1 1 500.134 3.738 50 0 KHAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000096300085 553748787 /nfs/dbraw/zinc/74/87/87/553748787.db2.gz FVKSTSJKKBSPQC-XMMPIXPASA-N 1 1 515.654 3.925 50 0 KHAAMO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793200 553757578 /nfs/dbraw/zinc/75/75/78/553757578.db2.gz NLTVTRFQPWPDRV-DWACAAAGSA-N 1 1 529.710 3.952 50 0 KHAAMO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793201 553757606 /nfs/dbraw/zinc/75/76/06/553757606.db2.gz NLTVTRFQPWPDRV-DFHRPNOPSA-N 1 1 529.710 3.952 50 0 KHAAMO C[C@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793202 553757631 /nfs/dbraw/zinc/75/76/31/553757631.db2.gz NLTVTRFQPWPDRV-RBISFHTESA-N 1 1 529.710 3.952 50 0 KHAAMO C[C@@H](NC(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793203 553757548 /nfs/dbraw/zinc/75/75/48/553757548.db2.gz NLTVTRFQPWPDRV-SKCUWOTOSA-N 1 1 529.710 3.952 50 0 KHAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(Cc1ccc(F)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097945660 553773907 /nfs/dbraw/zinc/77/39/07/553773907.db2.gz VDGVQFKQALNCIZ-UHFFFAOYSA-N 1 1 533.629 3.782 50 0 KHAAMO O=S(=O)(c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000097945773 553774619 /nfs/dbraw/zinc/77/46/19/553774619.db2.gz UZIQLNADNBYIAM-UHFFFAOYSA-N 1 1 536.723 3.812 50 0 KHAAMO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+]2CCOCC2)n1 ZINC000097954211 553822236 /nfs/dbraw/zinc/82/22/36/553822236.db2.gz DJDOUMPNPOMGCY-UHFFFAOYSA-N 1 1 544.747 3.784 50 0 KHAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)CC1 ZINC000097955569 553831306 /nfs/dbraw/zinc/83/13/06/553831306.db2.gz HHHXFKRRKMUSLJ-GHUXWVSLSA-N 1 1 570.756 3.964 50 0 KHAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C[C@H]3CCCO3)CC2)CC1 ZINC000097955570 553831357 /nfs/dbraw/zinc/83/13/57/553831357.db2.gz HHHXFKRRKMUSLJ-JZILDOMLSA-N 1 1 570.756 3.964 50 0 KHAAMO O=C(/C=C/c1ccccc1)N(CCC[NH+]1CCOCC1)CC(=O)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000097955967 553835255 /nfs/dbraw/zinc/83/52/55/553835255.db2.gz FTATXHSMFFOYFY-ZRDIBKRKSA-N 1 1 545.636 3.801 50 0 KHAAMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cc(Br)c3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000097956664 553840439 /nfs/dbraw/zinc/84/04/39/553840439.db2.gz IQCKJUKAQJINMK-HUBRGWSESA-N 1 1 618.577 3.615 50 0 in-vitro KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000097963420 553889761 /nfs/dbraw/zinc/88/97/61/553889761.db2.gz UTELMMIQAVYYCK-QZTJIDSGSA-N 1 1 549.715 3.742 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000097963420 553889757 /nfs/dbraw/zinc/88/97/57/553889757.db2.gz UTELMMIQAVYYCK-QZTJIDSGSA-N 1 1 549.715 3.742 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000097963421 553890276 /nfs/dbraw/zinc/89/02/76/553890276.db2.gz UTELMMIQAVYYCK-ROUUACIJSA-N 1 1 549.715 3.742 50 0 KHAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000097963421 553890274 /nfs/dbraw/zinc/89/02/74/553890274.db2.gz UTELMMIQAVYYCK-ROUUACIJSA-N 1 1 549.715 3.742 50 0 KHAAMO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC[NH2+]CCCOC)ccc2OC)cc1Br ZINC000097982614 554003979 /nfs/dbraw/zinc/00/39/79/554003979.db2.gz IIBMVOXHRKOZFO-UHFFFAOYSA-N 1 1 544.468 3.612 50 0 KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985354 554023147 /nfs/dbraw/zinc/02/31/47/554023147.db2.gz PSYIKOQIHXORGO-IBGZPJMESA-N 1 1 574.422 3.534 50 0 KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000097985355 554023186 /nfs/dbraw/zinc/02/31/86/554023186.db2.gz PSYIKOQIHXORGO-LJQANCHMSA-N 1 1 574.422 3.534 50 0 KHAAMO O=S(=O)(c1ccc(OC[C@H](O)CN2CCCCCC2)cc1)c1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000097998441 554041339 /nfs/dbraw/zinc/04/13/39/554041339.db2.gz HDBJJWZSDLMCGS-CLJLJLNGSA-N 1 1 560.757 3.751 50 0 KHAAMO O=S(=O)(c1ccc(OC[C@H](O)C[NH+]2CCCCCC2)cc1)c1ccc(OC[C@@H](O)CN2CCCCCC2)cc1 ZINC000097998442 554041430 /nfs/dbraw/zinc/04/14/30/554041430.db2.gz HDBJJWZSDLMCGS-WMPKNSHKSA-N 1 1 560.757 3.751 50 0 KHAAMO O=S(=O)(c1ccc(OC[C@H](O)CN2CCCCCC2)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000097998442 554041428 /nfs/dbraw/zinc/04/14/28/554041428.db2.gz HDBJJWZSDLMCGS-WMPKNSHKSA-N 1 1 560.757 3.751 50 0 KHAAMO O=S(=O)(c1ccc(OC[C@@H](O)CN2CCCCCC2)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000097998443 554041352 /nfs/dbraw/zinc/04/13/52/554041352.db2.gz HDBJJWZSDLMCGS-UIOOFZCWSA-N 1 1 560.757 3.751 50 0 KHAAMO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005093 554056823 /nfs/dbraw/zinc/05/68/23/554056823.db2.gz DQWQQZLGVYVIAK-ZCYQVOJMSA-N 1 1 632.787 3.514 50 0 KHAAMO CCOc1ccc(Cn2c(SCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@H]43)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000098005094 554056888 /nfs/dbraw/zinc/05/68/88/554056888.db2.gz DQWQQZLGVYVIAK-UKILVPOCSA-N 1 1 632.787 3.514 50 0 KHAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000098006369 554061766 /nfs/dbraw/zinc/06/17/66/554061766.db2.gz WIUYFMVPBXWLAG-CVBCGQOWSA-N 1 1 556.622 3.769 50 0 KHAAMO O=C(C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000098009614 554069699 /nfs/dbraw/zinc/06/96/99/554069699.db2.gz LLRKEVOHXJCEGG-UHFFFAOYSA-N 1 1 540.549 3.940 50 0 KHAAMO O=C(COCc1ccccc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000098009768 554071024 /nfs/dbraw/zinc/07/10/24/554071024.db2.gz ZQWFIEGZALVCPF-UHFFFAOYSA-N 1 1 543.462 3.809 50 0 KHAAMO CCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)cc1 ZINC000098017841 554110515 /nfs/dbraw/zinc/11/05/15/554110515.db2.gz CDNNQIOMKOKXIJ-UHFFFAOYSA-N 1 1 547.652 3.964 50 0 KHAAMO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000098019729 554114117 /nfs/dbraw/zinc/11/41/17/554114117.db2.gz ZTUVMWJCSYEMGH-UHFFFAOYSA-N 1 1 569.724 3.963 50 0 KHAAMO COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000098049370 554165428 /nfs/dbraw/zinc/16/54/28/554165428.db2.gz ZNIOOAHGPWNLLU-UHFFFAOYSA-N 1 1 544.121 3.507 50 0 KHAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1CCCO1 ZINC000098049439 554166016 /nfs/dbraw/zinc/16/60/16/554166016.db2.gz ZCNGRLOEIPYKIF-QHCPKHFHSA-N 1 1 556.132 3.650 50 0 KHAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCCO1 ZINC000098049440 554166004 /nfs/dbraw/zinc/16/60/04/554166004.db2.gz ZCNGRLOEIPYKIF-HSZRJFAPSA-N 1 1 556.132 3.650 50 0 KHAAMO Cc1cccc(C)c1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000098049775 554168712 /nfs/dbraw/zinc/16/87/12/554168712.db2.gz PLNOTNCLAVOHMP-UHFFFAOYSA-N 1 1 544.677 3.928 50 0 KHAAMO COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000100014909 554181255 /nfs/dbraw/zinc/18/12/55/554181255.db2.gz XZXHXSATPCNXJR-ZIADKAODSA-N 1 1 539.636 3.616 50 0 fda KHAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100164663 554235819 /nfs/dbraw/zinc/23/58/19/554235819.db2.gz WIUYFMVPBXWLAG-WTRDRNLISA-N 1 1 556.622 3.769 50 0 KHAAMO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000100250431 554262394 /nfs/dbraw/zinc/26/23/94/554262394.db2.gz GJMOEGQPMVDTAN-UHFFFAOYSA-N 1 1 542.499 3.984 50 0 KHAAMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100342442 554327548 /nfs/dbraw/zinc/32/75/48/554327548.db2.gz TWGPMGLYVYONMW-UHFFFAOYSA-N 1 1 528.472 3.661 50 0 KHAAMO Cc1ccc(NC(=O)Cn2c3cc(=O)n(CCC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000100432321 554392417 /nfs/dbraw/zinc/39/24/17/554392417.db2.gz MUKMIQMFBPWWBK-UHFFFAOYSA-N 1 1 572.691 3.541 50 0 KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832106 554482468 /nfs/dbraw/zinc/48/24/68/554482468.db2.gz VKJJCLVHFFZCTE-FQEVSTJZSA-N 1 1 528.436 3.800 50 0 KHAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000100832107 554482535 /nfs/dbraw/zinc/48/25/35/554482535.db2.gz VKJJCLVHFFZCTE-HXUWFJFHSA-N 1 1 528.436 3.800 50 0 KHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc1)C[N@@H+](C(C)C)CC2 ZINC000100910975 554517597 /nfs/dbraw/zinc/51/75/97/554517597.db2.gz LPOAMGAQSAXYIL-IBGZPJMESA-N 1 1 549.715 3.743 50 0 KHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc1)C[N@H+](C(C)C)CC2 ZINC000100910975 554517594 /nfs/dbraw/zinc/51/75/94/554517594.db2.gz LPOAMGAQSAXYIL-IBGZPJMESA-N 1 1 549.715 3.743 50 0 KHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc1)C[N@@H+](C(C)C)CC2 ZINC000100910979 554517655 /nfs/dbraw/zinc/51/76/55/554517655.db2.gz LPOAMGAQSAXYIL-LJQANCHMSA-N 1 1 549.715 3.743 50 0 KHAAMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc1)C[N@H+](C(C)C)CC2 ZINC000100910979 554517654 /nfs/dbraw/zinc/51/76/54/554517654.db2.gz LPOAMGAQSAXYIL-LJQANCHMSA-N 1 1 549.715 3.743 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916711 554519867 /nfs/dbraw/zinc/51/98/67/554519867.db2.gz HJHLAUJRBLUPMU-LYZGTLIUSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916711 554519864 /nfs/dbraw/zinc/51/98/64/554519864.db2.gz HJHLAUJRBLUPMU-LYZGTLIUSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916712 554519884 /nfs/dbraw/zinc/51/98/84/554519884.db2.gz HJHLAUJRBLUPMU-PIKZIKFNSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000100916712 554519880 /nfs/dbraw/zinc/51/98/80/554519880.db2.gz HJHLAUJRBLUPMU-PIKZIKFNSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916719 554519948 /nfs/dbraw/zinc/51/99/48/554519948.db2.gz WWEIHLYETTXOFB-LYZGTLIUSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916719 554519943 /nfs/dbraw/zinc/51/99/43/554519943.db2.gz WWEIHLYETTXOFB-LYZGTLIUSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916721 554520020 /nfs/dbraw/zinc/52/00/20/554520020.db2.gz WWEIHLYETTXOFB-PIKZIKFNSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000100916721 554520018 /nfs/dbraw/zinc/52/00/18/554520018.db2.gz WWEIHLYETTXOFB-PIKZIKFNSA-N 1 1 539.723 3.934 50 0 KHAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000100956848 554539562 /nfs/dbraw/zinc/53/95/62/554539562.db2.gz SMMOVJGNYUTVLH-UHFFFAOYSA-N 1 1 549.438 3.953 50 0 KHAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(I)cc4)CC3)n2)cc1 ZINC000100956887 554539851 /nfs/dbraw/zinc/53/98/51/554539851.db2.gz GGISMSPEXMMXJA-UHFFFAOYSA-N 1 1 565.437 3.653 50 0 KHAAMO CCCN(CCO)C(=O)CC[C@H]1C[N@H+](C2Cc3ccccc3C2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000100961825 554542606 /nfs/dbraw/zinc/54/26/06/554542606.db2.gz MBGZYWFOXIKSEX-BHBYDHKZSA-N 1 1 536.736 3.817 50 0 KHAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1Br ZINC000101034292 554565380 /nfs/dbraw/zinc/56/53/80/554565380.db2.gz SDNYBCFROMGFTN-IBGZPJMESA-N 1 1 507.226 3.661 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(Br)cc1)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000101074985 554576992 /nfs/dbraw/zinc/57/69/92/554576992.db2.gz XOTNHXKRJRZPCH-UHFFFAOYSA-N 1 1 595.585 3.834 50 0 KHAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000101081183 554578999 /nfs/dbraw/zinc/57/89/99/554578999.db2.gz GFLJEJSRTGNQRG-UHFFFAOYSA-N 1 1 560.514 3.954 50 0 KHAAMO COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1OC ZINC000101146711 554656328 /nfs/dbraw/zinc/65/63/28/554656328.db2.gz HWWOAOUIVFVOPB-AREMUKBSSA-N 1 1 542.640 3.882 50 0 KHAAMO COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1OC ZINC000101146716 554656360 /nfs/dbraw/zinc/65/63/60/554656360.db2.gz HWWOAOUIVFVOPB-SANMLTNESA-N 1 1 542.640 3.882 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101200003 554672541 /nfs/dbraw/zinc/67/25/41/554672541.db2.gz ILUQVSSPLZCOND-QUMGSSFMSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101200003 554672539 /nfs/dbraw/zinc/67/25/39/554672539.db2.gz ILUQVSSPLZCOND-QUMGSSFMSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101200010 554672510 /nfs/dbraw/zinc/67/25/10/554672510.db2.gz ILUQVSSPLZCOND-QYOOZWMWSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101200010 554672508 /nfs/dbraw/zinc/67/25/08/554672508.db2.gz ILUQVSSPLZCOND-QYOOZWMWSA-N 1 1 509.518 3.578 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000101202438 554673109 /nfs/dbraw/zinc/67/31/09/554673109.db2.gz NJFVTGFMZWOVIM-KBBGZRRDSA-N 1 1 618.606 3.559 50 0 biogenic KHAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000101202443 554673121 /nfs/dbraw/zinc/67/31/21/554673121.db2.gz NJFVTGFMZWOVIM-YQXAMQIPSA-N 1 1 618.606 3.559 50 0 biogenic KHAAMO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1Cl ZINC000101216207 554682871 /nfs/dbraw/zinc/68/28/71/554682871.db2.gz BWSVETBWDVVNIE-JOCHJYFZSA-N 1 1 564.539 3.970 50 0 KHAAMO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1Cl ZINC000101216212 554682863 /nfs/dbraw/zinc/68/28/63/554682863.db2.gz BWSVETBWDVVNIE-QFIPXVFZSA-N 1 1 564.539 3.970 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216250 554683206 /nfs/dbraw/zinc/68/32/06/554683206.db2.gz ULWDMVGKLZSMBB-XMMPIXPASA-N 1 1 543.734 3.906 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3cccc(SC)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216255 554683178 /nfs/dbraw/zinc/68/31/78/554683178.db2.gz ULWDMVGKLZSMBB-DEOSSOPVSA-N 1 1 543.734 3.906 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216259 554683159 /nfs/dbraw/zinc/68/31/59/554683159.db2.gz DSRXRYRVFSCDSM-HSZRJFAPSA-N 1 1 562.111 3.846 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216262 554683181 /nfs/dbraw/zinc/68/31/81/554683181.db2.gz DSRXRYRVFSCDSM-QHCPKHFHSA-N 1 1 562.111 3.846 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216280 554683213 /nfs/dbraw/zinc/68/32/13/554683213.db2.gz TXEUGXPAVZWBTM-AREMUKBSSA-N 1 1 597.807 3.944 50 0 KHAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216283 554683219 /nfs/dbraw/zinc/68/32/19/554683219.db2.gz TXEUGXPAVZWBTM-SANMLTNESA-N 1 1 597.807 3.944 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216349 554683493 /nfs/dbraw/zinc/68/34/93/554683493.db2.gz VFHQFEXDRMANDT-XMMPIXPASA-N 1 1 544.121 3.707 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216353 554683508 /nfs/dbraw/zinc/68/35/08/554683508.db2.gz VFHQFEXDRMANDT-DEOSSOPVSA-N 1 1 544.121 3.707 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216383 554683391 /nfs/dbraw/zinc/68/33/91/554683391.db2.gz LZFGVOWCWMYWFH-HSZRJFAPSA-N 1 1 532.085 3.838 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000101216386 554683501 /nfs/dbraw/zinc/68/35/01/554683501.db2.gz LZFGVOWCWMYWFH-QHCPKHFHSA-N 1 1 532.085 3.838 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216388 554683399 /nfs/dbraw/zinc/68/33/99/554683399.db2.gz UOOKEYMYSOEBSK-AREMUKBSSA-N 1 1 555.720 3.973 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216392 554683516 /nfs/dbraw/zinc/68/35/16/554683516.db2.gz UOOKEYMYSOEBSK-SANMLTNESA-N 1 1 555.720 3.973 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216409 554683631 /nfs/dbraw/zinc/68/36/31/554683631.db2.gz OSQMLYCNJLNWQA-HHHXNRCGSA-N 1 1 567.756 3.843 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216412 554683640 /nfs/dbraw/zinc/68/36/40/554683640.db2.gz OSQMLYCNJLNWQA-MHZLTWQESA-N 1 1 567.756 3.843 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216632 554684200 /nfs/dbraw/zinc/68/42/00/554684200.db2.gz XGQVDPGIVSTFAA-HHHXNRCGSA-N 1 1 595.766 3.621 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216637 554684263 /nfs/dbraw/zinc/68/42/63/554684263.db2.gz XGQVDPGIVSTFAA-MHZLTWQESA-N 1 1 595.766 3.621 50 0 KHAAMO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216688 554684301 /nfs/dbraw/zinc/68/43/01/554684301.db2.gz CMKUGUVJHISFRI-XMMPIXPASA-N 1 1 544.121 3.707 50 0 KHAAMO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101216694 554684287 /nfs/dbraw/zinc/68/42/87/554684287.db2.gz CMKUGUVJHISFRI-DEOSSOPVSA-N 1 1 544.121 3.707 50 0 KHAAMO CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101232310 554689650 /nfs/dbraw/zinc/68/96/50/554689650.db2.gz GDNWFSDNPNJWKQ-HKBQPEDESA-N 1 1 543.668 3.607 50 0 KHAAMO CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101232313 554689596 /nfs/dbraw/zinc/68/95/96/554689596.db2.gz GDNWFSDNPNJWKQ-WJOKGBTCSA-N 1 1 543.668 3.607 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000101233184 554689562 /nfs/dbraw/zinc/68/95/62/554689562.db2.gz WDMYXQJIFGPHOU-WGDIFIGCSA-N 1 1 561.477 3.902 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000101233188 554689684 /nfs/dbraw/zinc/68/96/84/554689684.db2.gz WDMYXQJIFGPHOU-MRDQGFSESA-N 1 1 561.477 3.902 50 0 KHAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235003 554690421 /nfs/dbraw/zinc/69/04/21/554690421.db2.gz BUTVEUIIUKAZNG-LOYHVIPDSA-N 1 1 559.663 3.976 50 0 KHAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235009 554690439 /nfs/dbraw/zinc/69/04/39/554690439.db2.gz BUTVEUIIUKAZNG-IHLOFXLRSA-N 1 1 559.663 3.976 50 0 KHAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235013 554690411 /nfs/dbraw/zinc/69/04/11/554690411.db2.gz BUTVEUIIUKAZNG-XZWHSSHBSA-N 1 1 559.663 3.976 50 0 KHAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235018 554690387 /nfs/dbraw/zinc/69/03/87/554690387.db2.gz BUTVEUIIUKAZNG-KYJUHHDHSA-N 1 1 559.663 3.976 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254712 554695159 /nfs/dbraw/zinc/69/51/59/554695159.db2.gz GGDWLPRNDUANNO-RUZDIDTESA-N 1 1 541.693 3.583 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254715 554695581 /nfs/dbraw/zinc/69/55/81/554695581.db2.gz GGDWLPRNDUANNO-VWLOTQADSA-N 1 1 541.693 3.583 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254744 554695529 /nfs/dbraw/zinc/69/55/29/554695529.db2.gz KDYLXUGANADELW-XMMPIXPASA-N 1 1 544.121 3.707 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254746 554695534 /nfs/dbraw/zinc/69/55/34/554695534.db2.gz KDYLXUGANADELW-DEOSSOPVSA-N 1 1 544.121 3.707 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254767 554695548 /nfs/dbraw/zinc/69/55/48/554695548.db2.gz DFDDDJYRNCYDDD-RUZDIDTESA-N 1 1 586.158 3.875 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254769 554695573 /nfs/dbraw/zinc/69/55/73/554695573.db2.gz DFDDDJYRNCYDDD-VWLOTQADSA-N 1 1 586.158 3.875 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254903 554695831 /nfs/dbraw/zinc/69/58/31/554695831.db2.gz UUIHNLYPRPRMRH-DEOSSOPVSA-N 1 1 588.572 3.816 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254905 554695815 /nfs/dbraw/zinc/69/58/15/554695815.db2.gz UUIHNLYPRPRMRH-XMMPIXPASA-N 1 1 588.572 3.816 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254909 554695774 /nfs/dbraw/zinc/69/57/74/554695774.db2.gz OBUIAEJTBHJCMA-QHCPKHFHSA-N 1 1 558.546 3.726 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254911 554695785 /nfs/dbraw/zinc/69/57/85/554695785.db2.gz OBUIAEJTBHJCMA-HSZRJFAPSA-N 1 1 558.546 3.726 50 0 KHAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254913 554695821 /nfs/dbraw/zinc/69/58/21/554695821.db2.gz LGOFREFRRZNXKO-JOCHJYFZSA-N 1 1 562.509 3.557 50 0 KHAAMO CN1CC[NH+](CCCN2C(=S)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254915 554695865 /nfs/dbraw/zinc/69/58/65/554695865.db2.gz LGOFREFRRZNXKO-QFIPXVFZSA-N 1 1 562.509 3.557 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254923 554695847 /nfs/dbraw/zinc/69/58/47/554695847.db2.gz WWWQGOUSLFXEMQ-DEOSSOPVSA-N 1 1 616.582 3.594 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254926 554695826 /nfs/dbraw/zinc/69/58/26/554695826.db2.gz WWWQGOUSLFXEMQ-XMMPIXPASA-N 1 1 616.582 3.594 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254950 554695943 /nfs/dbraw/zinc/69/59/43/554695943.db2.gz BOFQNNXBDBVOTL-XMMPIXPASA-N 1 1 588.572 3.816 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254953 554696137 /nfs/dbraw/zinc/69/61/37/554696137.db2.gz BOFQNNXBDBVOTL-DEOSSOPVSA-N 1 1 588.572 3.816 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254966 554696255 /nfs/dbraw/zinc/69/62/55/554696255.db2.gz NTAQMIOTFUKDBI-RUZDIDTESA-N 1 1 630.609 3.984 50 0 KHAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCC[NH+]3CCN(CC)CC3)C2=S)cc1 ZINC000101254969 554696118 /nfs/dbraw/zinc/69/61/18/554696118.db2.gz NTAQMIOTFUKDBI-VWLOTQADSA-N 1 1 630.609 3.984 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254972 554696238 /nfs/dbraw/zinc/69/62/38/554696238.db2.gz BRRFWARTUGZQEP-DEOSSOPVSA-N 1 1 544.121 3.707 50 0 KHAAMO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(C)CC3)C2=S)cc1 ZINC000101254976 554696265 /nfs/dbraw/zinc/69/62/65/554696265.db2.gz BRRFWARTUGZQEP-XMMPIXPASA-N 1 1 544.121 3.707 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255365 554696430 /nfs/dbraw/zinc/69/64/30/554696430.db2.gz MCZDBAJZGSLCBQ-RUZDIDTESA-N 1 1 541.693 3.583 50 0 KHAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255371 554696490 /nfs/dbraw/zinc/69/64/90/554696490.db2.gz MCZDBAJZGSLCBQ-VWLOTQADSA-N 1 1 541.693 3.583 50 0 KHAAMO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255389 554696754 /nfs/dbraw/zinc/69/67/54/554696754.db2.gz DLRWGNBEBMQYJD-XMMPIXPASA-N 1 1 544.121 3.707 50 0 KHAAMO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(C)CC2)cc1 ZINC000101255393 554696791 /nfs/dbraw/zinc/69/67/91/554696791.db2.gz DLRWGNBEBMQYJD-DEOSSOPVSA-N 1 1 544.121 3.707 50 0 KHAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000101336264 554734291 /nfs/dbraw/zinc/73/42/91/554734291.db2.gz LBTVKRBOIFBQGZ-RRWMQESRSA-N 1 1 527.552 3.858 50 0 KHAAMO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000101336264 554734288 /nfs/dbraw/zinc/73/42/88/554734288.db2.gz LBTVKRBOIFBQGZ-RRWMQESRSA-N 1 1 527.552 3.858 50 0 KHAAMO O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101356596 554740303 /nfs/dbraw/zinc/74/03/03/554740303.db2.gz LZHLGIKTCPUDAQ-UHFFFAOYSA-N 1 1 534.620 3.997 50 0 KHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000101360843 554742557 /nfs/dbraw/zinc/74/25/57/554742557.db2.gz IOLYBOBDGFRHLU-UHFFFAOYSA-N 1 1 528.020 3.622 50 0 KHAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 ZINC000101362189 554743272 /nfs/dbraw/zinc/74/32/72/554743272.db2.gz FMUHXTGQQOTBEC-UHFFFAOYSA-N 1 1 528.020 3.622 50 0 KHAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(Cl)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000101377818 554747087 /nfs/dbraw/zinc/74/70/87/554747087.db2.gz LIVUYRKELWMQPS-UHFFFAOYSA-N 1 1 593.109 3.886 50 0 KHAAMO CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CC[NH+](C)CC5)o4)c(=O)n32)cc1 ZINC000101381485 554748556 /nfs/dbraw/zinc/74/85/56/554748556.db2.gz WVDBOWMWAJGJJI-UOOXJCEYSA-N 1 1 583.714 3.617 50 0 KHAAMO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000101381501 554748583 /nfs/dbraw/zinc/74/85/83/554748583.db2.gz CWAYZMJVHRMJSC-WTDOPDLHSA-N 1 1 574.106 3.872 50 0 KHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000101388552 554753657 /nfs/dbraw/zinc/75/36/57/554753657.db2.gz ZVRKSGWNODBANZ-ZTCQUFLUSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000101391277 1066195782 /nfs/dbraw/zinc/19/57/82/1066195782.db2.gz PDHYMFQURXRMCA-PMERELPUSA-N 1 1 539.680 3.644 50 0 KHAAMO O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000101391280 1066195743 /nfs/dbraw/zinc/19/57/43/1066195743.db2.gz PDHYMFQURXRMCA-SSEXGKCCSA-N 1 1 539.680 3.644 50 0 KHAAMO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000101392778 554756251 /nfs/dbraw/zinc/75/62/51/554756251.db2.gz DFCLTJVALHSZOT-XFONDTMASA-N 1 1 536.415 3.690 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101412800 554764225 /nfs/dbraw/zinc/76/42/25/554764225.db2.gz NSYREERHQFLSAZ-PRHHBONVSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101412800 554764223 /nfs/dbraw/zinc/76/42/23/554764223.db2.gz NSYREERHQFLSAZ-PRHHBONVSA-N 1 1 500.780 3.842 50 0 KHAAMO CC(C)[N@@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415548 554764607 /nfs/dbraw/zinc/76/46/07/554764607.db2.gz KIEIMOLSXHLMNO-ZRZAMGCNSA-N 1 1 552.741 3.846 50 0 KHAAMO CC(C)[N@@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415552 554764602 /nfs/dbraw/zinc/76/46/02/554764602.db2.gz KIEIMOLSXHLMNO-GOTSBHOMSA-N 1 1 552.741 3.846 50 0 KHAAMO CC(C)[N@@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O)Cc1ccccc1 ZINC000101415556 554764613 /nfs/dbraw/zinc/76/46/13/554764613.db2.gz KIEIMOLSXHLMNO-DHIUTWEWSA-N 1 1 552.741 3.846 50 0 KHAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416557 554765481 /nfs/dbraw/zinc/76/54/81/554765481.db2.gz ISDHWRJMRZQVJJ-UHFFFAOYSA-N 1 1 547.677 3.749 50 0 KHAAMO CCn1cc(C(=O)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101417749 554766531 /nfs/dbraw/zinc/76/65/31/554766531.db2.gz FSINTPXUURLPID-UHFFFAOYSA-N 1 1 631.774 3.850 50 0 KHAAMO COc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000101422889 554767725 /nfs/dbraw/zinc/76/77/25/554767725.db2.gz PRPPEOBIWBSWAZ-UHFFFAOYSA-N 1 1 568.653 3.967 50 0 KHAAMO CCn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447899 554774750 /nfs/dbraw/zinc/77/47/50/554774750.db2.gz FZXDCCJGBFCKLT-UHFFFAOYSA-N 1 1 538.714 3.836 50 0 KHAAMO CCn1cc(C(=O)NCC[N@@H+](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448434 554774933 /nfs/dbraw/zinc/77/49/33/554774933.db2.gz WTDSXECITJICLB-UHFFFAOYSA-N 1 1 572.731 3.673 50 0 KHAAMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000101454555 554776462 /nfs/dbraw/zinc/77/64/62/554776462.db2.gz YZTBRJRFDWYVCE-KXQOOQHDSA-N 1 1 534.657 3.520 50 0 KHAAMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000101454556 554776453 /nfs/dbraw/zinc/77/64/53/554776453.db2.gz YZTBRJRFDWYVCE-LHEWISCISA-N 1 1 534.657 3.520 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494580 554786517 /nfs/dbraw/zinc/78/65/17/554786517.db2.gz FAWWRWIMNMAXFV-CDLOMYRSSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494580 554786515 /nfs/dbraw/zinc/78/65/15/554786515.db2.gz FAWWRWIMNMAXFV-CDLOMYRSSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494583 554786572 /nfs/dbraw/zinc/78/65/72/554786572.db2.gz FAWWRWIMNMAXFV-HZTMJRFTSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494583 554786571 /nfs/dbraw/zinc/78/65/71/554786571.db2.gz FAWWRWIMNMAXFV-HZTMJRFTSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494585 554786546 /nfs/dbraw/zinc/78/65/46/554786546.db2.gz FAWWRWIMNMAXFV-PHBCIFJZSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494585 554786542 /nfs/dbraw/zinc/78/65/42/554786542.db2.gz FAWWRWIMNMAXFV-PHBCIFJZSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494587 554786554 /nfs/dbraw/zinc/78/65/54/554786554.db2.gz FAWWRWIMNMAXFV-OODISRMCSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccccc1Br ZINC000101494587 554786552 /nfs/dbraw/zinc/78/65/52/554786552.db2.gz FAWWRWIMNMAXFV-OODISRMCSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507550 554791130 /nfs/dbraw/zinc/79/11/30/554791130.db2.gz FIMSKMZGLJXZTH-CDLOMYRSSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507550 554791127 /nfs/dbraw/zinc/79/11/27/554791127.db2.gz FIMSKMZGLJXZTH-CDLOMYRSSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507553 554791181 /nfs/dbraw/zinc/79/11/81/554791181.db2.gz FIMSKMZGLJXZTH-HZTMJRFTSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507553 554791179 /nfs/dbraw/zinc/79/11/79/554791179.db2.gz FIMSKMZGLJXZTH-HZTMJRFTSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507554 554791228 /nfs/dbraw/zinc/79/12/28/554791228.db2.gz FIMSKMZGLJXZTH-PHBCIFJZSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507554 554791226 /nfs/dbraw/zinc/79/12/26/554791226.db2.gz FIMSKMZGLJXZTH-PHBCIFJZSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507556 554791173 /nfs/dbraw/zinc/79/11/73/554791173.db2.gz FIMSKMZGLJXZTH-OODISRMCSA-N 1 1 553.416 3.989 50 0 KHAAMO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101507556 554791170 /nfs/dbraw/zinc/79/11/70/554791170.db2.gz FIMSKMZGLJXZTH-OODISRMCSA-N 1 1 553.416 3.989 50 0 KHAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C1CCCCC1 ZINC000101507753 554791468 /nfs/dbraw/zinc/79/14/68/554791468.db2.gz NSEAMXFRYMHLOB-JOCHJYFZSA-N 1 1 548.750 3.526 50 0 KHAAMO CC[C@H](C)[N@@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)C1CCCCC1 ZINC000101507756 554791496 /nfs/dbraw/zinc/79/14/96/554791496.db2.gz NSEAMXFRYMHLOB-QFIPXVFZSA-N 1 1 548.750 3.526 50 0 KHAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCN(CC)CC4)CC3)nc2cc1Br ZINC000101582962 554801000 /nfs/dbraw/zinc/80/10/00/554801000.db2.gz QHAYCUPBWBKJLN-UHFFFAOYSA-N 1 1 538.556 3.818 50 0 KHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101618162 554806404 /nfs/dbraw/zinc/80/64/04/554806404.db2.gz VVOUDPOJJXOYGZ-FQLXRVMXSA-N 1 1 546.737 3.999 50 0 KHAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101618164 554806378 /nfs/dbraw/zinc/80/63/78/554806378.db2.gz VVOUDPOJJXOYGZ-WDYNHAJCSA-N 1 1 546.737 3.999 50 0 KHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101618167 554806397 /nfs/dbraw/zinc/80/63/97/554806397.db2.gz VVOUDPOJJXOYGZ-URLMMPGGSA-N 1 1 546.737 3.999 50 0 KHAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101618171 554806724 /nfs/dbraw/zinc/80/67/24/554806724.db2.gz VVOUDPOJJXOYGZ-VMPREFPWSA-N 1 1 546.737 3.999 50 0 KHAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCCN1CCOCC1 ZINC000101625935 554811216 /nfs/dbraw/zinc/81/12/16/554811216.db2.gz BUGWSXIKHRRAFF-LITSAYRRSA-N 1 1 572.169 3.720 50 0 KHAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCCN1CCOCC1 ZINC000101625935 554811211 /nfs/dbraw/zinc/81/12/11/554811211.db2.gz BUGWSXIKHRRAFF-LITSAYRRSA-N 1 1 572.169 3.720 50 0 KHAAMO COc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1Br ZINC000101633972 554812480 /nfs/dbraw/zinc/81/24/80/554812480.db2.gz SITMLMDVVISFGC-KQWNVCNZSA-N 1 1 546.487 3.776 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000101666605 554822581 /nfs/dbraw/zinc/82/25/81/554822581.db2.gz OOHDSSLHWXRQAY-WLBXEJSFSA-N 1 1 535.733 3.519 50 0 KHAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000101666605 554822579 /nfs/dbraw/zinc/82/25/79/554822579.db2.gz OOHDSSLHWXRQAY-WLBXEJSFSA-N 1 1 535.733 3.519 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000101671932 554825464 /nfs/dbraw/zinc/82/54/64/554825464.db2.gz OGIRBWABCVNBEI-JZMUPVMCSA-N 1 1 557.578 3.866 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000101671932 554825461 /nfs/dbraw/zinc/82/54/61/554825461.db2.gz OGIRBWABCVNBEI-JZMUPVMCSA-N 1 1 557.578 3.866 50 0 KHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000101676692 554828081 /nfs/dbraw/zinc/82/80/81/554828081.db2.gz ZMGFBPHBKBONET-CEYNDMKZSA-N 1 1 591.572 3.895 50 0 KHAAMO C[C@H](C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)Cc3cccs3)c2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101740953 1066198590 /nfs/dbraw/zinc/19/85/90/1066198590.db2.gz AHLNBAGOVJNQEP-QFIPXVFZSA-N 1 1 545.709 3.943 50 0 KHAAMO C[C@@H](C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)Cc3cccs3)c2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000101740956 1066198670 /nfs/dbraw/zinc/19/86/70/1066198670.db2.gz AHLNBAGOVJNQEP-JOCHJYFZSA-N 1 1 545.709 3.943 50 0 KHAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccc(Cl)cc5Cl)CC4)n3)CC2)cc1C ZINC000101748124 554834513 /nfs/dbraw/zinc/83/45/13/554834513.db2.gz ZEFUCEQEIVOWPS-UHFFFAOYSA-N 1 1 555.510 3.978 50 0 KHAAMO O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000101748460 554834418 /nfs/dbraw/zinc/83/44/18/554834418.db2.gz ILWHDTWDCCDJKV-UHFFFAOYSA-N 1 1 541.483 3.751 50 0 KHAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccc(C(C)(C)C)cc5)CC4)n3)CC2)cc1C ZINC000101749268 554834525 /nfs/dbraw/zinc/83/45/25/554834525.db2.gz OIFHEFHXYJADPX-UHFFFAOYSA-N 1 1 542.728 3.969 50 0 KHAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)N(Cc3ccc(-c4ccccc4)cc3)C2)nn1 ZINC000101750228 554835002 /nfs/dbraw/zinc/83/50/02/554835002.db2.gz UXUYTXYMJRPKJJ-HYHZCSIDSA-N 1 1 556.711 3.928 50 0 KHAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc1OC ZINC000101781848 554838525 /nfs/dbraw/zinc/83/85/25/554838525.db2.gz GIKHVKMOXLFJPC-HXUWFJFHSA-N 1 1 536.456 3.700 50 0 KHAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc1OC ZINC000101781848 554838521 /nfs/dbraw/zinc/83/85/21/554838521.db2.gz GIKHVKMOXLFJPC-HXUWFJFHSA-N 1 1 536.456 3.700 50 0 KHAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc1OC ZINC000101781853 554838494 /nfs/dbraw/zinc/83/84/94/554838494.db2.gz GIKHVKMOXLFJPC-FQEVSTJZSA-N 1 1 536.456 3.700 50 0 KHAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)c4ccc(Cl)c(Cl)c4)CCO3)CC2)cc1OC ZINC000101781853 554838490 /nfs/dbraw/zinc/83/84/90/554838490.db2.gz GIKHVKMOXLFJPC-FQEVSTJZSA-N 1 1 536.456 3.700 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1OC ZINC000101811782 554839806 /nfs/dbraw/zinc/83/98/06/554839806.db2.gz SXHNYXKNOOZPST-FCHUYYIVSA-N 1 1 549.599 3.965 50 0 KHAAMO Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(N3CC[NH+](Cc4ccccc4)CC3)cc1O2 ZINC000101901384 554847412 /nfs/dbraw/zinc/84/74/12/554847412.db2.gz QOUUWDNUUGSCAA-UHFFFAOYSA-N 1 1 548.665 3.696 50 0 KHAAMO COCC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@@H](c4cccc(C)c4)N23)CC1 ZINC000101919957 554851225 /nfs/dbraw/zinc/85/12/25/554851225.db2.gz WCBJOFYZYTXAEA-RUZDIDTESA-N 1 1 512.676 3.702 50 0 KHAAMO COCC[NH+]1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4cccc(C)c4)N23)CC1 ZINC000101919960 554851182 /nfs/dbraw/zinc/85/11/82/554851182.db2.gz WCBJOFYZYTXAEA-VWLOTQADSA-N 1 1 512.676 3.702 50 0 KHAAMO Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCC[NH+]4CCOCC4)N32)cc1 ZINC000101920136 554851395 /nfs/dbraw/zinc/85/13/95/554851395.db2.gz OGMHNARXVKTWGX-RUZDIDTESA-N 1 1 512.676 3.750 50 0 KHAAMO Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCC[NH+]4CCOCC4)N32)cc1 ZINC000101920139 554851386 /nfs/dbraw/zinc/85/13/86/554851386.db2.gz OGMHNARXVKTWGX-VWLOTQADSA-N 1 1 512.676 3.750 50 0 KHAAMO Cc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCC[NH+]4CCOCC4)N32)c1 ZINC000101920386 554851379 /nfs/dbraw/zinc/85/13/79/554851379.db2.gz JAGTWZAILBTHTO-RUZDIDTESA-N 1 1 512.676 3.750 50 0 KHAAMO Cc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCC[NH+]4CCOCC4)N32)c1 ZINC000101920389 554851404 /nfs/dbraw/zinc/85/14/04/554851404.db2.gz JAGTWZAILBTHTO-VWLOTQADSA-N 1 1 512.676 3.750 50 0 KHAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000101965043 554853977 /nfs/dbraw/zinc/85/39/77/554853977.db2.gz ZAWSOECREMGNGP-XZWHSSHBSA-N 1 1 540.708 3.854 50 0 KHAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000102128072 554884448 /nfs/dbraw/zinc/88/44/48/554884448.db2.gz RBCVDIIDPGPEJO-HHHXNRCGSA-N 1 1 551.647 3.801 50 0 KHAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000102128077 554884442 /nfs/dbraw/zinc/88/44/42/554884442.db2.gz RBCVDIIDPGPEJO-MHZLTWQESA-N 1 1 551.647 3.801 50 0 KHAAMO CN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132070 554886197 /nfs/dbraw/zinc/88/61/97/554886197.db2.gz ZOWDUODFXDGTDF-UHFFFAOYSA-N 1 1 546.663 3.632 50 0 KHAAMO O=C(CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000102215157 554898162 /nfs/dbraw/zinc/89/81/62/554898162.db2.gz IGWQKMHWIUAEJZ-RPLLCQBOSA-N 1 1 545.650 3.752 50 0 KHAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1 ZINC000102215157 554898158 /nfs/dbraw/zinc/89/81/58/554898158.db2.gz IGWQKMHWIUAEJZ-RPLLCQBOSA-N 1 1 545.650 3.752 50 0 KHAAMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2cccc(C[NH+]3CCN(c4ncccn4)CC3)c2)CC1 ZINC000102217687 1066207321 /nfs/dbraw/zinc/20/73/21/1066207321.db2.gz PVBFNRGSTPWDGG-UHFFFAOYSA-N 1 1 558.104 3.693 50 0 KHAAMO COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc1)c2=O ZINC000102221472 554899374 /nfs/dbraw/zinc/89/93/74/554899374.db2.gz TUFVBYWAMMZQBM-UHFFFAOYSA-N 1 1 528.634 3.722 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000102280485 1066208384 /nfs/dbraw/zinc/20/83/84/1066208384.db2.gz WKQRMZNCLLUITK-QPPBQGQZSA-N 1 1 538.530 3.764 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](Cc3ccc4ncccc4c3)C2)nn1 ZINC000102280485 1066208370 /nfs/dbraw/zinc/20/83/70/1066208370.db2.gz WKQRMZNCLLUITK-QPPBQGQZSA-N 1 1 538.530 3.764 50 0 KHAAMO O=C([C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102285760 554907325 /nfs/dbraw/zinc/90/73/25/554907325.db2.gz 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CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102534309 554954980 /nfs/dbraw/zinc/95/49/80/554954980.db2.gz YTEUIQHVEGMODO-ZRRKCSAHSA-N 1 1 548.728 3.870 50 0 KHAAMO CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102534314 554955135 /nfs/dbraw/zinc/95/51/35/554955135.db2.gz YTEUIQHVEGMODO-REUBFRLUSA-N 1 1 548.728 3.870 50 0 KHAAMO CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102534314 554955133 /nfs/dbraw/zinc/95/51/33/554955133.db2.gz YTEUIQHVEGMODO-REUBFRLUSA-N 1 1 548.728 3.870 50 0 KHAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000102596572 1066208911 /nfs/dbraw/zinc/20/89/11/1066208911.db2.gz IBBCXTRNTWTJLX-UHFFFAOYSA-N 1 1 543.740 3.770 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)nn1 ZINC000102597834 554977193 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O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]c1=O ZINC000102652128 1066209823 /nfs/dbraw/zinc/20/98/23/1066209823.db2.gz UOVVKKMOFSCAHP-XNMCCTNNSA-N 1 1 562.755 3.792 50 0 KHAAMO COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC[C@H]1CCC[N@H+]1C ZINC000102661924 1066209891 /nfs/dbraw/zinc/20/98/91/1066209891.db2.gz MLXDWOPCJIQSCD-YKSBVNFPSA-N 1 1 581.682 3.705 50 0 KHAAMO COc1cc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(F)c(F)c2)cc(OC)c1OCC[C@@H]1CCC[N@H+]1C ZINC000102661926 1066209418 /nfs/dbraw/zinc/20/94/18/1066209418.db2.gz MLXDWOPCJIQSCD-RDPSFJRHSA-N 1 1 581.682 3.705 50 0 KHAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](Cc3ccc(OC)c4ccccc34)C2)nn1 ZINC000102664099 1066209452 /nfs/dbraw/zinc/20/94/52/1066209452.db2.gz QFOYNKVINGELSO-YWEHKCAJSA-N 1 1 572.641 3.530 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)cc1OC ZINC000102664237 1066209711 /nfs/dbraw/zinc/20/97/11/1066209711.db2.gz XJNXKXOOPGDDSD-UHFFFAOYSA-N 1 1 566.724 3.649 50 0 KHAAMO O=S(=O)(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)c1ccccc1C(F)(F)F ZINC000102664720 555001451 /nfs/dbraw/zinc/00/14/51/555001451.db2.gz DEJVNIYEAQNMFV-UHFFFAOYSA-N 1 1 535.592 3.565 50 0 KHAAMO COc1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(O)CC3)C2)c1OC ZINC000102679903 555005131 /nfs/dbraw/zinc/00/51/31/555005131.db2.gz VKFUMQNYXXXZAR-RBJSKKJNSA-N 1 1 568.734 3.619 50 0 KHAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCC(O)CC3)C2)c1OC ZINC000102679903 555005126 /nfs/dbraw/zinc/00/51/26/555005126.db2.gz VKFUMQNYXXXZAR-RBJSKKJNSA-N 1 1 568.734 3.619 50 0 KHAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)[nH+]1 ZINC000102683734 555006713 /nfs/dbraw/zinc/00/67/13/555006713.db2.gz PFOYIDWVCUWCEY-UHFFFAOYSA-N 1 1 535.411 3.644 50 0 KHAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCC[C@H]1CO ZINC000102694786 555009656 /nfs/dbraw/zinc/00/96/56/555009656.db2.gz 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555019864 /nfs/dbraw/zinc/01/98/64/555019864.db2.gz AINMAWNTJHQLQH-ATLLOTDBSA-N 1 1 565.111 3.925 50 0 KHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(C)cc1C ZINC000102763816 555054168 /nfs/dbraw/zinc/05/41/68/555054168.db2.gz MKHULSWGOHQHMR-RUZDIDTESA-N 1 1 512.676 3.670 50 0 KHAAMO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC[NH+]3CCOCC3)N2[C@H]1c1ccc(C)cc1C ZINC000102763817 555054124 /nfs/dbraw/zinc/05/41/24/555054124.db2.gz MKHULSWGOHQHMR-VWLOTQADSA-N 1 1 512.676 3.670 50 0 KHAAMO CCC1=C(C(=O)OC)[C@H](c2cc(C)ccc2C)N2C(CC(=O)NCCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102763857 555054110 /nfs/dbraw/zinc/05/41/10/555054110.db2.gz FRVADNZLASSRHH-VWLOTQADSA-N 1 1 512.676 3.670 50 0 KHAAMO CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(CC(=O)NCCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102763860 555054149 /nfs/dbraw/zinc/05/41/49/555054149.db2.gz FRVADNZLASSRHH-RUZDIDTESA-N 1 1 512.676 3.670 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000102766868 555055478 /nfs/dbraw/zinc/05/54/78/555055478.db2.gz YKLONMVNALBYFO-OSPHWJPCSA-N 1 1 551.084 3.821 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000102766869 555055534 /nfs/dbraw/zinc/05/55/34/555055534.db2.gz YKLONMVNALBYFO-XDHUDOTRSA-N 1 1 551.084 3.821 50 0 KHAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCN(C)CC3)C2=O)cc1Br ZINC000102768862 555056331 /nfs/dbraw/zinc/05/63/31/555056331.db2.gz YCJWSUBFABUWET-JJIBRWJFSA-N 1 1 559.530 3.691 50 0 KHAAMO CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)/C=C/c3ccccc3)c2)CC1 ZINC000102769513 555056885 /nfs/dbraw/zinc/05/68/85/555056885.db2.gz XSFDVPXOAXJBAY-YSRQOFBMSA-N 1 1 551.691 3.902 50 0 KHAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)n3)CC2)cc1C ZINC000102771729 555060523 /nfs/dbraw/zinc/06/05/23/555060523.db2.gz HWMOVXFTAARYFA-UHFFFAOYSA-N 1 1 536.080 3.716 50 0 KHAAMO COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2=O)cc1 ZINC000102780443 555065777 /nfs/dbraw/zinc/06/57/77/555065777.db2.gz PCIVMJCVXNMUNJ-XHLNEMQHSA-N 1 1 544.627 3.929 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000102792788 555069518 /nfs/dbraw/zinc/06/95/18/555069518.db2.gz QIHZTXLQYMTVIL-UHFFFAOYSA-N 1 1 562.530 3.693 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000102793306 555070749 /nfs/dbraw/zinc/07/07/49/555070749.db2.gz LMYJDZLCMOLIEC-UHFFFAOYSA-N 1 1 569.953 3.892 50 0 KHAAMO CC(=O)c1cccc(NC(=O)C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000102834603 555079693 /nfs/dbraw/zinc/07/96/93/555079693.db2.gz SCRDUXDYUKKQFF-YTTGMZPUSA-N 1 1 567.734 3.749 50 0 KHAAMO CC(=O)c1cccc(NC(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000102834604 555079707 /nfs/dbraw/zinc/07/97/07/555079707.db2.gz SCRDUXDYUKKQFF-JGCGQSQUSA-N 1 1 567.734 3.749 50 0 KHAAMO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000102839760 555080993 /nfs/dbraw/zinc/08/09/93/555080993.db2.gz JFHSBGOEEHHPQW-UHFFFAOYSA-N 1 1 555.926 3.502 50 0 KHAAMO CC[N@@H+](CCCNC(=O)CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O)Cc1ccccc1 ZINC000102839895 555080981 /nfs/dbraw/zinc/08/09/81/555080981.db2.gz RXNPUOWSHCBRBK-UHFFFAOYSA-N 1 1 550.519 3.550 50 0 KHAAMO CC(=O)N1c2cc(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(Br)cc2C[C@H]1C ZINC000102840442 555081206 /nfs/dbraw/zinc/08/12/06/555081206.db2.gz CRXLBFNBNLZQRY-QGZVFWFLSA-N 1 1 569.953 3.891 50 0 KHAAMO CC(=O)N1c2cc(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(Br)cc2C[C@@H]1C ZINC000102840444 555081282 /nfs/dbraw/zinc/08/12/82/555081282.db2.gz CRXLBFNBNLZQRY-KRWDZBQOSA-N 1 1 569.953 3.891 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@H]4CC)C3)cc21 ZINC000102843168 555083164 /nfs/dbraw/zinc/08/31/64/555083164.db2.gz PDHUCTZMUHAVDS-NHCUHLMSSA-N 1 1 583.593 3.530 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4CC)C3)cc21 ZINC000102843170 555083220 /nfs/dbraw/zinc/08/32/20/555083220.db2.gz PDHUCTZMUHAVDS-RTWAWAEBSA-N 1 1 583.593 3.530 50 0 KHAAMO O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000102843769 555083832 /nfs/dbraw/zinc/08/38/32/555083832.db2.gz DGPLACJFCQNPEZ-UHFFFAOYSA-N 1 1 574.541 3.693 50 0 KHAAMO COc1cccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1OC ZINC000102852719 555086343 /nfs/dbraw/zinc/08/63/43/555086343.db2.gz KITTWXXIYPAJHR-QHCPKHFHSA-N 1 1 528.675 3.785 50 0 KHAAMO COc1cccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)c1OC ZINC000102852721 555086282 /nfs/dbraw/zinc/08/62/82/555086282.db2.gz KITTWXXIYPAJHR-HSZRJFAPSA-N 1 1 528.675 3.785 50 0 KHAAMO COc1ccc([C@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)cc1OC ZINC000102852859 555086529 /nfs/dbraw/zinc/08/65/29/555086529.db2.gz FPGZCPPEQWMOHT-DEOSSOPVSA-N 1 1 528.675 3.785 50 0 KHAAMO COc1ccc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)N=C3SC=C(CC(=O)N4CC[NH+](C)CC4)N32)cc1OC ZINC000102852862 555086602 /nfs/dbraw/zinc/08/66/02/555086602.db2.gz FPGZCPPEQWMOHT-XMMPIXPASA-N 1 1 528.675 3.785 50 0 KHAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000102867473 555097017 /nfs/dbraw/zinc/09/70/17/555097017.db2.gz FVRNZDWBEPEVJR-XZOQPEGZSA-N 1 1 516.689 3.525 50 0 KHAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000102867476 555096990 /nfs/dbraw/zinc/09/69/90/555096990.db2.gz FVRNZDWBEPEVJR-DHIUTWEWSA-N 1 1 516.689 3.525 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000102892213 555128455 /nfs/dbraw/zinc/12/84/55/555128455.db2.gz WFKCPILDLXPBBI-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102892213 555128453 /nfs/dbraw/zinc/12/84/53/555128453.db2.gz WFKCPILDLXPBBI-ZHSNQQFMSA-N 1 1 500.780 3.842 50 0 KHAAMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000102930747 555157684 /nfs/dbraw/zinc/15/76/84/555157684.db2.gz IZIWPWIMXKUGAZ-UHFFFAOYSA-N 1 1 551.709 3.518 50 0 KHAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](CCOC)CC3)=CSC2=N1 ZINC000102936681 555164347 /nfs/dbraw/zinc/16/43/47/555164347.db2.gz TUTHNCRCUVXAKL-VWLOTQADSA-N 1 1 512.676 3.622 50 0 KHAAMO CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](CCOC)CC3)=CSC2=N1 ZINC000102936684 555164459 /nfs/dbraw/zinc/16/44/59/555164459.db2.gz TUTHNCRCUVXAKL-RUZDIDTESA-N 1 1 512.676 3.622 50 0 KHAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103013168 555207735 /nfs/dbraw/zinc/20/77/35/555207735.db2.gz WIUYFMVPBXWLAG-RQNNBDBASA-N 1 1 556.622 3.769 50 0 KHAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C\c2ccc(OC(F)F)cc2)CC1 ZINC000103014106 1066208473 /nfs/dbraw/zinc/20/84/73/1066208473.db2.gz SVFHXBCOOJTBQU-GHXNOFRVSA-N 1 1 534.629 3.866 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1cccc(Cl)c1)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103028449 555217812 /nfs/dbraw/zinc/21/78/12/555217812.db2.gz NPDRVWOBKQHTJW-UHFFFAOYSA-N 1 1 551.134 3.725 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)c(F)c(F)c(F)c1F)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103039151 555224176 /nfs/dbraw/zinc/22/41/76/555224176.db2.gz IQARSHGAQRRVIS-UHFFFAOYSA-N 1 1 606.639 3.767 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1Cl)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103043113 555226837 /nfs/dbraw/zinc/22/68/37/555226837.db2.gz CGKCYXWNZBRNAA-UHFFFAOYSA-N 1 1 551.134 3.725 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1F)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103047741 555229265 /nfs/dbraw/zinc/22/92/65/555229265.db2.gz KXIOEMOQJISMSZ-UHFFFAOYSA-N 1 1 588.649 3.628 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054829 555236556 /nfs/dbraw/zinc/23/65/56/555236556.db2.gz WEYRFTWCRKQWEK-VWLOTQADSA-N 1 1 542.467 3.520 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054832 555236492 /nfs/dbraw/zinc/23/64/92/555236492.db2.gz WEYRFTWCRKQWEK-RUZDIDTESA-N 1 1 542.467 3.520 50 0 KHAAMO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054870 555236574 /nfs/dbraw/zinc/23/65/74/555236574.db2.gz BGAJAQULCJEHTE-SANMLTNESA-N 1 1 556.494 3.910 50 0 KHAAMO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054873 555236521 /nfs/dbraw/zinc/23/65/21/555236521.db2.gz BGAJAQULCJEHTE-AREMUKBSSA-N 1 1 556.494 3.910 50 0 KHAAMO COc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccc(C)o2)Cc2ccccc2)c(OC)c1 ZINC000103055824 555237144 /nfs/dbraw/zinc/23/71/44/555237144.db2.gz KZZVOQIYGZTZKU-UHFFFAOYSA-N 1 1 549.668 3.999 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058251 555239164 /nfs/dbraw/zinc/23/91/64/555239164.db2.gz CRNYNMDKGZBJAL-SANMLTNESA-N 1 1 556.494 3.829 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058255 555239107 /nfs/dbraw/zinc/23/91/07/555239107.db2.gz CRNYNMDKGZBJAL-AREMUKBSSA-N 1 1 556.494 3.829 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058274 555239152 /nfs/dbraw/zinc/23/91/52/555239152.db2.gz NXJVEYHQOWEJRR-SANMLTNESA-N 1 1 556.494 3.563 50 0 KHAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058276 555239137 /nfs/dbraw/zinc/23/91/37/555239137.db2.gz NXJVEYHQOWEJRR-AREMUKBSSA-N 1 1 556.494 3.563 50 0 KHAAMO CCN1C2=C(C(=O)N([C@@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103060114 555240871 /nfs/dbraw/zinc/24/08/71/555240871.db2.gz HJUAKCVKTAAJJP-LOSJGSFVSA-N 1 1 555.601 3.793 50 0 KHAAMO CCN1C2=C(C(=O)N([C@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103060116 555240833 /nfs/dbraw/zinc/24/08/33/555240833.db2.gz HJUAKCVKTAAJJP-DQEYMECFSA-N 1 1 555.601 3.793 50 0 KHAAMO CCN1C2=C(C(=O)N([C@@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103060117 555240875 /nfs/dbraw/zinc/24/08/75/555240875.db2.gz HJUAKCVKTAAJJP-JWQCQUIFSA-N 1 1 555.601 3.793 50 0 KHAAMO CCN1C2=C(C(=O)N([C@H](C(=O)N3CC[NH+](CC)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000103060119 555240890 /nfs/dbraw/zinc/24/08/90/555240890.db2.gz HJUAKCVKTAAJJP-RPBOFIJWSA-N 1 1 555.601 3.793 50 0 KHAAMO COCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000103061822 555243120 /nfs/dbraw/zinc/24/31/20/555243120.db2.gz POLXVFVHFBVXBM-UHFFFAOYSA-N 1 1 550.704 3.769 50 0 KHAAMO O=C(Cc1ccc(F)cc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2ccc(Br)cc2)no1 ZINC000103061905 555243098 /nfs/dbraw/zinc/24/30/98/555243098.db2.gz VZZPNHHDTRKGOG-UHFFFAOYSA-N 1 1 531.426 3.974 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000103070192 555251156 /nfs/dbraw/zinc/25/11/56/555251156.db2.gz NIKYZFQICKMWPO-YKSBVNFPSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000103070192 555251152 /nfs/dbraw/zinc/25/11/52/555251152.db2.gz NIKYZFQICKMWPO-YKSBVNFPSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000103070193 555251245 /nfs/dbraw/zinc/25/12/45/555251245.db2.gz NIKYZFQICKMWPO-RDPSFJRHSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@H]2c2ccc(OC)cc2OC)C1 ZINC000103070193 555251242 /nfs/dbraw/zinc/25/12/42/555251242.db2.gz NIKYZFQICKMWPO-RDPSFJRHSA-N 1 1 539.629 3.674 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(Cl)cc1F)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103092832 555271856 /nfs/dbraw/zinc/27/18/56/555271856.db2.gz IXDDXWGHNRHBCS-UHFFFAOYSA-N 1 1 569.124 3.864 50 0 KHAAMO Cc1cccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC[NH+]2CCOCC2)c1F ZINC000103092924 555271845 /nfs/dbraw/zinc/27/18/45/555271845.db2.gz MPDJKDFLSJZIRA-UHFFFAOYSA-N 1 1 548.706 3.519 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1OC(F)F)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103102277 555279704 /nfs/dbraw/zinc/27/97/04/555279704.db2.gz DMHNCXYJCRDGGV-UHFFFAOYSA-N 1 1 582.695 3.673 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1c(F)cccc1Cl)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103102381 555279900 /nfs/dbraw/zinc/27/99/00/555279900.db2.gz HPDLFCBMUGSBAO-UHFFFAOYSA-N 1 1 569.124 3.864 50 0 KHAAMO CCCCOc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5C)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103109326 555284510 /nfs/dbraw/zinc/28/45/10/555284510.db2.gz SHHACRCEPMTELN-UHFFFAOYSA-N 1 1 544.700 3.542 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103116528 555288505 /nfs/dbraw/zinc/28/85/05/555288505.db2.gz XTEWSMOOEFBRIX-UHFFFAOYSA-N 1 1 551.134 3.725 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000103130051 555298659 /nfs/dbraw/zinc/29/86/59/555298659.db2.gz SHKVOZPHCCIAOL-WEJKSFJSSA-N 1 1 573.447 3.736 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@]3([NH2+][C@@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000103130053 555298732 /nfs/dbraw/zinc/29/87/32/555298732.db2.gz SHKVOZPHCCIAOL-YUMJUBROSA-N 1 1 573.447 3.736 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000103130055 555298879 /nfs/dbraw/zinc/29/88/79/555298879.db2.gz SHKVOZPHCCIAOL-AFWKRTLDSA-N 1 1 573.447 3.736 50 0 KHAAMO Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC[NH+]2CCOCC2)cc1C ZINC000103149556 555315878 /nfs/dbraw/zinc/31/58/78/555315878.db2.gz URFAKOJIKMSWNU-UHFFFAOYSA-N 1 1 544.743 3.689 50 0 KHAAMO O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(OC(F)F)cc1)n2CCC[NH+]1CCOCC1)N1CCOCC1 ZINC000103149578 555315805 /nfs/dbraw/zinc/31/58/05/555315805.db2.gz AZUBYAYLWUPFOK-UHFFFAOYSA-N 1 1 582.695 3.673 50 0 KHAAMO CCc1ccc(CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CCC[NH+]2CCOCC2)cc1 ZINC000103149659 555315773 /nfs/dbraw/zinc/31/57/73/555315773.db2.gz DUXZRUZUDGRUKR-UHFFFAOYSA-N 1 1 544.743 3.634 50 0 KHAAMO O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000103154943 555319495 /nfs/dbraw/zinc/31/94/95/555319495.db2.gz RRAYKOGQUHMMIC-AHWVRZQESA-N 1 1 534.598 3.546 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)c(F)c4)n2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000103299093 555355434 /nfs/dbraw/zinc/35/54/34/555355434.db2.gz ZCKIKAJMYSQYLH-UHFFFAOYSA-N 1 1 536.004 3.699 50 0 KHAAMO C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4F)n2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000103300280 555355475 /nfs/dbraw/zinc/35/54/75/555355475.db2.gz LFUQSBAOCCGYIT-UHFFFAOYSA-N 1 1 536.004 3.699 50 0 KHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000103323751 555358979 /nfs/dbraw/zinc/35/89/79/555358979.db2.gz BMWHBBOUOCHKQT-MHZLTWQESA-N 1 1 542.636 3.928 50 0 KHAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000103323755 555359027 /nfs/dbraw/zinc/35/90/27/555359027.db2.gz BMWHBBOUOCHKQT-HHHXNRCGSA-N 1 1 542.636 3.928 50 0 KHAAMO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103359862 555364275 /nfs/dbraw/zinc/36/42/75/555364275.db2.gz USVWUOIVCGMPNG-MHZLTWQESA-N 1 1 570.521 3.953 50 0 KHAAMO CCN1C2=C(C(=O)N(CCC(=O)N3CC[NH+](CCc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103359866 555364393 /nfs/dbraw/zinc/36/43/93/555364393.db2.gz USVWUOIVCGMPNG-HHHXNRCGSA-N 1 1 570.521 3.953 50 0 KHAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](CCO)C[C@H]12 ZINC000103405470 555391824 /nfs/dbraw/zinc/39/18/24/555391824.db2.gz WYIVSGKTNNUPOE-JTHBVZDNSA-N 1 1 503.828 3.551 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000103582109 555451555 /nfs/dbraw/zinc/45/15/55/555451555.db2.gz VJPKZSNKKBQLCA-CYFREDJKSA-N 1 1 501.425 3.864 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000103582116 555451489 /nfs/dbraw/zinc/45/14/89/555451489.db2.gz SSMVSHYGRCXYNC-VGSWGCGISA-N 1 1 507.816 3.900 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000103582123 555451523 /nfs/dbraw/zinc/45/15/23/555451523.db2.gz SSMVSHYGRCXYNC-JTSKRJEESA-N 1 1 507.816 3.900 50 0 KHAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)C[C@H]2C)c1 ZINC000103711669 555464628 /nfs/dbraw/zinc/46/46/28/555464628.db2.gz UOSJYDWHBBYCAJ-JWQCQUIFSA-N 1 1 544.748 3.795 50 0 KHAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000103978753 1066318774 /nfs/dbraw/zinc/31/87/74/1066318774.db2.gz NTABIFJFULKRAX-RRPNLBNLSA-N 1 1 532.660 3.894 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103865 571374002 /nfs/dbraw/zinc/37/40/02/571374002.db2.gz OGIRBWABCVNBEI-JYICUVCFSA-N 1 1 557.578 3.866 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104103865 571374000 /nfs/dbraw/zinc/37/40/00/571374000.db2.gz OGIRBWABCVNBEI-JYICUVCFSA-N 1 1 557.578 3.866 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000104765995 571385880 /nfs/dbraw/zinc/38/58/80/571385880.db2.gz WDMYXQJIFGPHOU-QLXKLKPCSA-N 1 1 561.477 3.902 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000104795316 571386295 /nfs/dbraw/zinc/38/62/95/571386295.db2.gz VGXWCTGZPNHIEB-MHECFPHRSA-N 1 1 577.545 3.791 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000104795324 571386266 /nfs/dbraw/zinc/38/62/66/571386266.db2.gz YKLONMVNALBYFO-BXKMTCNYSA-N 1 1 551.084 3.821 50 0 KHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccc(F)cc2Cl)N3)C1 ZINC000104795335 571386298 /nfs/dbraw/zinc/38/62/98/571386298.db2.gz AINMAWNTJHQLQH-FUMQJTLXSA-N 1 1 565.111 3.925 50 0 KHAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104919779 571387807 /nfs/dbraw/zinc/38/78/07/571387807.db2.gz FYMVXXRPZSBVBD-JBRSBNLGSA-N 1 1 503.565 3.743 50 0 KHAAMO O=C(NC[C@@H]1CCCO1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000104919781 571387858 /nfs/dbraw/zinc/38/78/58/571387858.db2.gz FYMVXXRPZSBVBD-SONWIMMPSA-N 1 1 503.565 3.743 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104920150 571387698 /nfs/dbraw/zinc/38/76/98/571387698.db2.gz CRAICDOTRHTUCC-ILBGXUMGSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104920153 571387856 /nfs/dbraw/zinc/38/78/56/571387856.db2.gz CRAICDOTRHTUCC-UKILVPOCSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920295 571387776 /nfs/dbraw/zinc/38/77/76/571387776.db2.gz NWMYAFMNUIMEJZ-PXDATVDWSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@H]12 ZINC000104920298 571387837 /nfs/dbraw/zinc/38/78/37/571387837.db2.gz NWMYAFMNUIMEJZ-SQJMNOBHSA-N 1 1 520.571 3.551 50 0 KHAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000105000121 571389049 /nfs/dbraw/zinc/38/90/49/571389049.db2.gz QSTMPOJKYWVMPT-CUNXSJBXSA-N 1 1 519.130 3.803 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000105002528 571389031 /nfs/dbraw/zinc/38/90/31/571389031.db2.gz UWRPLLSNNGEQRD-BDYUSTAISA-N 1 1 506.647 3.647 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000105002528 571389029 /nfs/dbraw/zinc/38/90/29/571389029.db2.gz UWRPLLSNNGEQRD-BDYUSTAISA-N 1 1 506.647 3.647 50 0 KHAAMO COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)c1 ZINC000105004206 571389117 /nfs/dbraw/zinc/38/91/17/571389117.db2.gz LMOZQHKGDPOHTA-SQJMNOBHSA-N 1 1 502.677 3.759 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008524 571389174 /nfs/dbraw/zinc/38/91/74/571389174.db2.gz KEVAVRLQOGBIBZ-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008524 571389173 /nfs/dbraw/zinc/38/91/73/571389173.db2.gz KEVAVRLQOGBIBZ-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008526 571389169 /nfs/dbraw/zinc/38/91/69/571389169.db2.gz KEVAVRLQOGBIBZ-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc(OC)cc2)C1 ZINC000105008526 571389167 /nfs/dbraw/zinc/38/91/67/571389167.db2.gz KEVAVRLQOGBIBZ-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009591 571389381 /nfs/dbraw/zinc/38/93/81/571389381.db2.gz NIKYZFQICKMWPO-HYBUGGRVSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009591 571389379 /nfs/dbraw/zinc/38/93/79/571389379.db2.gz NIKYZFQICKMWPO-HYBUGGRVSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009594 571389297 /nfs/dbraw/zinc/38/92/97/571389297.db2.gz NIKYZFQICKMWPO-GBXCKJPGSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009594 571389296 /nfs/dbraw/zinc/38/92/96/571389296.db2.gz NIKYZFQICKMWPO-GBXCKJPGSA-N 1 1 539.629 3.674 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009666 571389315 /nfs/dbraw/zinc/38/93/15/571389315.db2.gz KJOMXPHCBBJYTF-NTKDMRAZSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009666 571389314 /nfs/dbraw/zinc/38/93/14/571389314.db2.gz KJOMXPHCBBJYTF-NTKDMRAZSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009670 571389242 /nfs/dbraw/zinc/38/92/42/571389242.db2.gz KJOMXPHCBBJYTF-YADARESESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105009670 571389241 /nfs/dbraw/zinc/38/92/41/571389241.db2.gz KJOMXPHCBBJYTF-YADARESESA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010023 571389279 /nfs/dbraw/zinc/38/92/79/571389279.db2.gz AVRAHLMBCCHMEA-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010023 571389278 /nfs/dbraw/zinc/38/92/78/571389278.db2.gz AVRAHLMBCCHMEA-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010024 571389318 /nfs/dbraw/zinc/38/93/18/571389318.db2.gz AVRAHLMBCCHMEA-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010024 571389317 /nfs/dbraw/zinc/38/93/17/571389317.db2.gz AVRAHLMBCCHMEA-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010409 571389321 /nfs/dbraw/zinc/38/93/21/571389321.db2.gz JXNCZHYQUXQTNE-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010409 571389320 /nfs/dbraw/zinc/38/93/20/571389320.db2.gz JXNCZHYQUXQTNE-CJFMBICVSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010413 571389264 /nfs/dbraw/zinc/38/92/64/571389264.db2.gz JXNCZHYQUXQTNE-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(OC)cc2OC)C1 ZINC000105010413 571389263 /nfs/dbraw/zinc/38/92/63/571389263.db2.gz JXNCZHYQUXQTNE-NBGIEHNGSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105011256 571389329 /nfs/dbraw/zinc/38/93/29/571389329.db2.gz DJRZNXYVQHRCTG-NFBKMPQASA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105011256 571389328 /nfs/dbraw/zinc/38/93/28/571389328.db2.gz DJRZNXYVQHRCTG-NFBKMPQASA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105011259 571389405 /nfs/dbraw/zinc/38/94/05/571389405.db2.gz DJRZNXYVQHRCTG-NZQKXSOJSA-N 1 1 509.603 3.665 50 0 KHAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(OC)c(OC)c3)C[C@@H]2c2ccccc2OC)C1 ZINC000105011259 571389404 /nfs/dbraw/zinc/38/94/04/571389404.db2.gz DJRZNXYVQHRCTG-NZQKXSOJSA-N 1 1 509.603 3.665 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000105060269 571390693 /nfs/dbraw/zinc/39/06/93/571390693.db2.gz KPRPOYUPQPEWNK-IDISGSTGSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000105060269 571390691 /nfs/dbraw/zinc/39/06/91/571390691.db2.gz KPRPOYUPQPEWNK-IDISGSTGSA-N 1 1 509.697 3.926 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000105060644 571390704 /nfs/dbraw/zinc/39/07/04/571390704.db2.gz HJHLAUJRBLUPMU-KMRXNPHXSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000105060644 571390702 /nfs/dbraw/zinc/39/07/02/571390702.db2.gz HJHLAUJRBLUPMU-KMRXNPHXSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105061136 571391064 /nfs/dbraw/zinc/39/10/64/571391064.db2.gz WWEIHLYETTXOFB-KMRXNPHXSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105061136 571391062 /nfs/dbraw/zinc/39/10/62/571391062.db2.gz WWEIHLYETTXOFB-KMRXNPHXSA-N 1 1 539.723 3.934 50 0 KHAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061982 571390933 /nfs/dbraw/zinc/39/09/33/571390933.db2.gz LXOZVQVXEQLWMH-RLWLMLJZSA-N 1 1 509.697 3.926 50 0 KHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000106005660 571410196 /nfs/dbraw/zinc/41/01/96/571410196.db2.gz PPKPYZUJHFHWHW-IIBYNOLFSA-N 1 1 511.541 3.884 50 0 KHAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000106005660 571410194 /nfs/dbraw/zinc/41/01/94/571410194.db2.gz PPKPYZUJHFHWHW-IIBYNOLFSA-N 1 1 511.541 3.884 50 0 KHAAMO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000106536387 571412854 /nfs/dbraw/zinc/41/28/54/571412854.db2.gz KVJDWPTYZIFSHS-FICKONGGSA-N 1 1 509.562 3.854 50 0 KHAAMO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000106536387 571412852 /nfs/dbraw/zinc/41/28/52/571412852.db2.gz KVJDWPTYZIFSHS-FICKONGGSA-N 1 1 509.562 3.854 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000107177375 571419783 /nfs/dbraw/zinc/41/97/83/571419783.db2.gz URJKLHVZISVBLJ-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000107177375 571419781 /nfs/dbraw/zinc/41/97/81/571419781.db2.gz URJKLHVZISVBLJ-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCC[NH+]3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448574 571424409 /nfs/dbraw/zinc/42/44/09/571424409.db2.gz DDURPBCHVIMFCL-MHZLTWQESA-N 1 1 624.779 3.674 50 0 biogenic KHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](CCc4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449478 571424857 /nfs/dbraw/zinc/42/48/57/571424857.db2.gz ZZRVREWLGYNNTC-LJAQVGFWSA-N 1 1 643.785 3.837 50 0 biogenic KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449647 571424778 /nfs/dbraw/zinc/42/47/78/571424778.db2.gz CVOPJGXEVFAMOX-ZOTUOOSYSA-N 1 1 594.753 3.900 50 0 biogenic KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000108449650 571424829 /nfs/dbraw/zinc/42/48/29/571424829.db2.gz CVOPJGXEVFAMOX-ZSHJDDHQSA-N 1 1 594.753 3.900 50 0 biogenic KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450027 571425014 /nfs/dbraw/zinc/42/50/14/571425014.db2.gz LWGSDZZKBRFSEJ-RDGATRHJSA-N 1 1 580.726 3.656 50 0 biogenic KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108450030 571424994 /nfs/dbraw/zinc/42/49/94/571424994.db2.gz LWGSDZZKBRFSEJ-DHLKQENFSA-N 1 1 580.726 3.656 50 0 biogenic KHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451137 571425651 /nfs/dbraw/zinc/42/56/51/571425651.db2.gz WNEJFIBMSCCHBS-LJAQVGFWSA-N 1 1 643.785 3.837 50 0 biogenic KHAAMO O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000113560479 571440064 /nfs/dbraw/zinc/44/00/64/571440064.db2.gz PRMMWMJXLNRKDD-XLNRJJMWSA-N 1 1 541.389 4.000 50 0 KHAAMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000150350718 571462054 /nfs/dbraw/zinc/46/20/54/571462054.db2.gz WSCROLIQNBDMMN-UHFFFAOYSA-N 1 1 637.560 3.996 50 0 KHAAMO COc1ccc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c([O-])n(C)c(=S)n(C)c2=O)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000150622232 571523394 /nfs/dbraw/zinc/52/33/94/571523394.db2.gz QTGGYEPVYZNWEI-NRFANRHFSA-N 1 1 636.800 3.942 50 0 KHAAMO COC(=O)[C@H]1[C@@H](OC)[C@@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@H]12 ZINC000169365782 562864453 /nfs/dbraw/zinc/86/44/53/562864453.db2.gz KFDDPVMIQMFHBI-CEXYNNIJSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@H]1[C@@H](OC)[C@@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@H]12 ZINC000169365782 562864452 /nfs/dbraw/zinc/86/44/52/562864452.db2.gz KFDDPVMIQMFHBI-CEXYNNIJSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@H]1[C@@H](OC)[C@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@H]12 ZINC000169365783 562864456 /nfs/dbraw/zinc/86/44/56/562864456.db2.gz KFDDPVMIQMFHBI-IHKZCVOGSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@H]1[C@@H](OC)[C@H](OC(=O)COc2ccc(OC)cc2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@H]12 ZINC000169365783 562864455 /nfs/dbraw/zinc/86/44/55/562864455.db2.gz KFDDPVMIQMFHBI-IHKZCVOGSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC ZINC000169615868 571553525 /nfs/dbraw/zinc/55/35/25/571553525.db2.gz KFDDPVMIQMFHBI-YAHZQVONSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC ZINC000169615868 571553522 /nfs/dbraw/zinc/55/35/22/571553522.db2.gz KFDDPVMIQMFHBI-YAHZQVONSA-N 1 1 578.662 3.919 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](C)[C@@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000169620714 571554461 /nfs/dbraw/zinc/55/44/61/571554461.db2.gz SHKVOZPHCCIAOL-DXPBDYEMSA-N 1 1 573.447 3.736 50 0 KHAAMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677248 571554710 /nfs/dbraw/zinc/55/47/10/571554710.db2.gz FYMVXXRPZSBVBD-ARNLJNQMSA-N 1 1 503.565 3.743 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169677711 571554992 /nfs/dbraw/zinc/55/49/92/571554992.db2.gz YFWXAFMLTMAONR-UZTOHYMASA-N 1 1 515.651 3.627 50 0 KHAAMO COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)c1 ZINC000169677858 571555245 /nfs/dbraw/zinc/55/52/45/571555245.db2.gz LMOZQHKGDPOHTA-PXDATVDWSA-N 1 1 502.677 3.759 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccccc3F)C[C@@H]12 ZINC000169677889 571555623 /nfs/dbraw/zinc/55/56/23/571555623.db2.gz NWMYAFMNUIMEJZ-BWKNWUBXSA-N 1 1 520.571 3.551 50 0 KHAAMO O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679098 571556329 /nfs/dbraw/zinc/55/63/29/571556329.db2.gz RRAYKOGQUHMMIC-RSXGOPAZSA-N 1 1 534.598 3.546 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680845 571557004 /nfs/dbraw/zinc/55/70/04/571557004.db2.gz KPRPOYUPQPEWNK-KDYSTLNUSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000169680845 571557003 /nfs/dbraw/zinc/55/70/03/571557003.db2.gz KPRPOYUPQPEWNK-KDYSTLNUSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680914 571557340 /nfs/dbraw/zinc/55/73/40/571557340.db2.gz XZMNWVKCOQVTHS-KDYSTLNUSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680914 571557339 /nfs/dbraw/zinc/55/73/39/571557339.db2.gz XZMNWVKCOQVTHS-KDYSTLNUSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680915 571557140 /nfs/dbraw/zinc/55/71/40/571557140.db2.gz XZMNWVKCOQVTHS-IDISGSTGSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)cc1 ZINC000169680915 571557138 /nfs/dbraw/zinc/55/71/38/571557138.db2.gz XZMNWVKCOQVTHS-IDISGSTGSA-N 1 1 509.697 3.926 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169681817 571557793 /nfs/dbraw/zinc/55/77/93/571557793.db2.gz CRAICDOTRHTUCC-NOZRDPDXSA-N 1 1 520.571 3.551 50 0 KHAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(=O)OC)C1 ZINC000169686974 571558472 /nfs/dbraw/zinc/55/84/72/571558472.db2.gz NPARAVZBWUBILN-MRXNPFEDSA-N 1 1 505.662 3.728 50 0 KHAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2C(=O)OC)C1 ZINC000169686974 571558470 /nfs/dbraw/zinc/55/84/70/571558470.db2.gz NPARAVZBWUBILN-MRXNPFEDSA-N 1 1 505.662 3.728 50 0 KHAAMO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000169691973 571558654 /nfs/dbraw/zinc/55/86/54/571558654.db2.gz WDMYXQJIFGPHOU-QUGAMOGWSA-N 1 1 561.477 3.902 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000169694145 571558643 /nfs/dbraw/zinc/55/86/43/571558643.db2.gz VGXWCTGZPNHIEB-HOYKHHGWSA-N 1 1 577.545 3.791 50 0 KHAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(Br)c2)N3)C1 ZINC000169694147 571558669 /nfs/dbraw/zinc/55/86/69/571558669.db2.gz ZMGFBPHBKBONET-HHJKRLRDSA-N 1 1 591.572 3.895 50 0 KHAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1Cl)N2 ZINC000169694149 571558665 /nfs/dbraw/zinc/55/86/65/571558665.db2.gz YKLONMVNALBYFO-MZNJEOGPSA-N 1 1 551.084 3.821 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000205490054 571569575 /nfs/dbraw/zinc/56/95/75/571569575.db2.gz USQFTJRDRWWXGG-DHIUTWEWSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000205490054 571569574 /nfs/dbraw/zinc/56/95/74/571569574.db2.gz USQFTJRDRWWXGG-DHIUTWEWSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000222248866 571604930 /nfs/dbraw/zinc/60/49/30/571604930.db2.gz USQFTJRDRWWXGG-XZOQPEGZSA-N 1 1 548.548 3.634 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(c(COC(=O)c3cccnc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000222248866 571604929 /nfs/dbraw/zinc/60/49/29/571604929.db2.gz USQFTJRDRWWXGG-XZOQPEGZSA-N 1 1 548.548 3.634 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)CC1 ZINC000225380556 571747898 /nfs/dbraw/zinc/74/78/98/571747898.db2.gz NJFVTGFMZWOVIM-YTXSASNOSA-N 1 1 618.606 3.559 50 0 KHAAMO CCN1CC[NH+](CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000225380585 571747802 /nfs/dbraw/zinc/74/78/02/571747802.db2.gz NJFVTGFMZWOVIM-UHASXDTDSA-N 1 1 618.606 3.559 50 0 KHAAMO COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225420976 571788284 /nfs/dbraw/zinc/78/82/84/571788284.db2.gz WXVATYYFWFGAHK-UNWVZKJWSA-N 1 1 564.635 3.617 50 0 KHAAMO COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225420976 571788281 /nfs/dbraw/zinc/78/82/81/571788281.db2.gz WXVATYYFWFGAHK-UNWVZKJWSA-N 1 1 564.635 3.617 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421020 571788306 /nfs/dbraw/zinc/78/83/06/571788306.db2.gz WXVATYYFWFGAHK-NWSQWKLXSA-N 1 1 564.635 3.617 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421020 571788304 /nfs/dbraw/zinc/78/83/04/571788304.db2.gz WXVATYYFWFGAHK-NWSQWKLXSA-N 1 1 564.635 3.617 50 0 KHAAMO COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421392 571788408 /nfs/dbraw/zinc/78/84/08/571788408.db2.gz FLSVFIUHBMFIDF-WNOPAQSVSA-N 1 1 518.610 3.945 50 0 KHAAMO COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421392 571788404 /nfs/dbraw/zinc/78/84/04/571788404.db2.gz FLSVFIUHBMFIDF-WNOPAQSVSA-N 1 1 518.610 3.945 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421429 571788486 /nfs/dbraw/zinc/78/84/86/571788486.db2.gz FLSVFIUHBMFIDF-UCFCWBNQSA-N 1 1 518.610 3.945 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421429 571788482 /nfs/dbraw/zinc/78/84/82/571788482.db2.gz FLSVFIUHBMFIDF-UCFCWBNQSA-N 1 1 518.610 3.945 50 0 KHAAMO COC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421634 571788940 /nfs/dbraw/zinc/78/89/40/571788940.db2.gz CHKXUEIZAAMJBY-MRCUYLHHSA-N 1 1 583.641 3.795 50 0 KHAAMO COC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421634 571788936 /nfs/dbraw/zinc/78/89/36/571788936.db2.gz CHKXUEIZAAMJBY-MRCUYLHHSA-N 1 1 583.641 3.795 50 0 KHAAMO COC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421670 571788865 /nfs/dbraw/zinc/78/88/65/571788865.db2.gz CHKXUEIZAAMJBY-ZYVVXELTSA-N 1 1 583.641 3.795 50 0 KHAAMO COC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421670 571788862 /nfs/dbraw/zinc/78/88/62/571788862.db2.gz CHKXUEIZAAMJBY-ZYVVXELTSA-N 1 1 583.641 3.795 50 0 KHAAMO COC(=O)C[C@H](c1cccc(Br)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225423609 571789828 /nfs/dbraw/zinc/78/98/28/571789828.db2.gz ISIJDXLRYDZWAH-PLMTUMEDSA-N 1 1 555.425 3.584 50 0 KHAAMO COC(=O)C[C@H](c1cccc(Br)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225423609 571789825 /nfs/dbraw/zinc/78/98/25/571789825.db2.gz ISIJDXLRYDZWAH-PLMTUMEDSA-N 1 1 555.425 3.584 50 0 KHAAMO COC(=O)C[C@@H](c1cccc(Br)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225423650 571789779 /nfs/dbraw/zinc/78/97/79/571789779.db2.gz ISIJDXLRYDZWAH-MMOPVJDHSA-N 1 1 555.425 3.584 50 0 KHAAMO COC(=O)C[C@@H](c1cccc(Br)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225423650 571789775 /nfs/dbraw/zinc/78/97/75/571789775.db2.gz ISIJDXLRYDZWAH-MMOPVJDHSA-N 1 1 555.425 3.584 50 0 KHAAMO COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426153 571792391 /nfs/dbraw/zinc/79/23/91/571792391.db2.gz OFDYUIDJOABOBZ-NHCICSSKSA-N 1 1 534.609 3.609 50 0 KHAAMO COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426153 571792388 /nfs/dbraw/zinc/79/23/88/571792388.db2.gz OFDYUIDJOABOBZ-NHCICSSKSA-N 1 1 534.609 3.609 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426189 571792300 /nfs/dbraw/zinc/79/23/00/571792300.db2.gz OFDYUIDJOABOBZ-IZIIKQMZSA-N 1 1 534.609 3.609 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426189 571792295 /nfs/dbraw/zinc/79/22/95/571792295.db2.gz OFDYUIDJOABOBZ-IZIIKQMZSA-N 1 1 534.609 3.609 50 0 KHAAMO COC(=O)C[C@H](c1ccc(SC)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225428423 571795676 /nfs/dbraw/zinc/79/56/76/571795676.db2.gz XNHPSQKIKXNIER-ZWCUEREDSA-N 1 1 522.623 3.543 50 0 KHAAMO COC(=O)C[C@H](c1ccc(SC)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225428423 571795672 /nfs/dbraw/zinc/79/56/72/571795672.db2.gz XNHPSQKIKXNIER-ZWCUEREDSA-N 1 1 522.623 3.543 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(SC)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225428460 571795860 /nfs/dbraw/zinc/79/58/60/571795860.db2.gz XNHPSQKIKXNIER-LZNRXBQRSA-N 1 1 522.623 3.543 50 0 KHAAMO COC(=O)C[C@@H](c1ccc(SC)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225428460 571795858 /nfs/dbraw/zinc/79/58/58/571795858.db2.gz XNHPSQKIKXNIER-LZNRXBQRSA-N 1 1 522.623 3.543 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4CC)C3)cc21 ZINC000226651863 572139641 /nfs/dbraw/zinc/13/96/41/572139641.db2.gz PDHUCTZMUHAVDS-SFTDATJTSA-N 1 1 583.593 3.530 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229993326 572176952 /nfs/dbraw/zinc/17/69/52/572176952.db2.gz OGIRBWABCVNBEI-IWENFQHWSA-N 1 1 557.578 3.866 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000229993326 572176951 /nfs/dbraw/zinc/17/69/51/572176951.db2.gz OGIRBWABCVNBEI-IWENFQHWSA-N 1 1 557.578 3.866 50 0 KHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000230039297 572181198 /nfs/dbraw/zinc/18/11/98/572181198.db2.gz ZVRKSGWNODBANZ-SFSKKXLLSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000230039820 572181204 /nfs/dbraw/zinc/18/12/04/572181204.db2.gz DFCLTJVALHSZOT-YQCAGDPDSA-N 1 1 536.415 3.690 50 0 KHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000230068481 572182225 /nfs/dbraw/zinc/18/22/25/572182225.db2.gz NICBOWWTHZBNQJ-SVBPBHIXSA-N 1 1 527.662 3.870 50 0 KHAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000230068486 572182359 /nfs/dbraw/zinc/18/23/59/572182359.db2.gz NICBOWWTHZBNQJ-SXOMAYOGSA-N 1 1 527.662 3.870 50 0 KHAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000230100952 572183395 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Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245247570 572220697 /nfs/dbraw/zinc/22/06/97/572220697.db2.gz WFKCPILDLXPBBI-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245247570 572220696 /nfs/dbraw/zinc/22/06/96/572220696.db2.gz WFKCPILDLXPBBI-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245247818 572221131 /nfs/dbraw/zinc/22/11/31/572221131.db2.gz XVLANHLWJJOTKO-DWKCODDLSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245247818 572221127 /nfs/dbraw/zinc/22/11/27/572221127.db2.gz XVLANHLWJJOTKO-DWKCODDLSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245247820 572221261 /nfs/dbraw/zinc/22/12/61/572221261.db2.gz XVLANHLWJJOTKO-SCYDXJQRSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245247820 572221260 /nfs/dbraw/zinc/22/12/60/572221260.db2.gz XVLANHLWJJOTKO-SCYDXJQRSA-N 1 1 500.780 3.842 50 0 KHAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000245298167 572227074 /nfs/dbraw/zinc/22/70/74/572227074.db2.gz XWHBDSXZCBIVML-QUCCMNQESA-N 1 1 501.697 3.552 50 0 KHAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c2c1C ZINC000245298170 572226988 /nfs/dbraw/zinc/22/69/88/572226988.db2.gz XWHBDSXZCBIVML-UYAOXDASSA-N 1 1 501.697 3.552 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245310367 572228111 /nfs/dbraw/zinc/22/81/11/572228111.db2.gz ILUQVSSPLZCOND-POTDNYQPSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245310367 572228107 /nfs/dbraw/zinc/22/81/07/572228107.db2.gz ILUQVSSPLZCOND-POTDNYQPSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245310368 572228053 /nfs/dbraw/zinc/22/80/53/572228053.db2.gz ILUQVSSPLZCOND-XPGKHFPBSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245310368 572228050 /nfs/dbraw/zinc/22/80/50/572228050.db2.gz ILUQVSSPLZCOND-XPGKHFPBSA-N 1 1 509.518 3.578 50 0 KHAAMO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245310984 572228876 /nfs/dbraw/zinc/22/88/76/572228876.db2.gz KVJDWPTYZIFSHS-YYGZZXRFSA-N 1 1 509.562 3.854 50 0 KHAAMO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(OC)cc4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245310984 572228874 /nfs/dbraw/zinc/22/88/74/572228874.db2.gz KVJDWPTYZIFSHS-YYGZZXRFSA-N 1 1 509.562 3.854 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000245311624 572229538 /nfs/dbraw/zinc/22/95/38/572229538.db2.gz PESJDMASHKWDJY-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000245311624 572229535 /nfs/dbraw/zinc/22/95/35/572229535.db2.gz PESJDMASHKWDJY-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000245311627 572229283 /nfs/dbraw/zinc/22/92/83/572229283.db2.gz PESJDMASHKWDJY-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000245311627 572229279 /nfs/dbraw/zinc/22/92/79/572229279.db2.gz PESJDMASHKWDJY-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326457 572232336 /nfs/dbraw/zinc/23/23/36/572232336.db2.gz KIPYSZPQMVMUOI-KCWPFWIISA-N 1 1 527.021 3.572 50 0 KHAAMO CC[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1 ZINC000245326458 572232364 /nfs/dbraw/zinc/23/23/64/572232364.db2.gz KIPYSZPQMVMUOI-YIXXDRMTSA-N 1 1 527.021 3.572 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000245343639 572239422 /nfs/dbraw/zinc/23/94/22/572239422.db2.gz UWRPLLSNNGEQRD-AHKZPQOWSA-N 1 1 506.647 3.647 50 0 KHAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000245343639 572239420 /nfs/dbraw/zinc/23/94/20/572239420.db2.gz UWRPLLSNNGEQRD-AHKZPQOWSA-N 1 1 506.647 3.647 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245343736 572239875 /nfs/dbraw/zinc/23/98/75/572239875.db2.gz YFWXAFMLTMAONR-XHCCPWGMSA-N 1 1 515.651 3.627 50 0 KHAAMO O=C(NCc1ccccn1)[C@@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468072 572242623 /nfs/dbraw/zinc/24/26/23/572242623.db2.gz DHVRYHUBXPNMEK-SHQCIBLASA-N 1 1 507.562 3.694 50 0 KHAAMO O=C(NCc1ccccn1)[C@H](C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1cccc(F)c1 ZINC000247468082 572242643 /nfs/dbraw/zinc/24/26/43/572242643.db2.gz DHVRYHUBXPNMEK-SQHAQQRYSA-N 1 1 507.562 3.694 50 0 KHAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730711 572244214 /nfs/dbraw/zinc/24/42/14/572244214.db2.gz GXDDIZBLQSUDOA-BJKOFHAPSA-N 1 1 525.621 3.876 50 0 KHAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247730716 572244101 /nfs/dbraw/zinc/24/41/01/572244101.db2.gz GXDDIZBLQSUDOA-DNQXCXABSA-N 1 1 525.621 3.876 50 0 KHAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744281 572244373 /nfs/dbraw/zinc/24/43/73/572244373.db2.gz QKNDXRKLKKBHMM-CLJLJLNGSA-N 1 1 525.621 3.876 50 0 KHAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000247744285 572244379 /nfs/dbraw/zinc/24/43/79/572244379.db2.gz QKNDXRKLKKBHMM-IZZNHLLZSA-N 1 1 525.621 3.876 50 0 KHAAMO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000247809127 572245384 /nfs/dbraw/zinc/24/53/84/572245384.db2.gz DFCLTJVALHSZOT-BKPJCRJXSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000247809128 572245400 /nfs/dbraw/zinc/24/54/00/572245400.db2.gz DFCLTJVALHSZOT-BNZXBHASSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000247809129 572245339 /nfs/dbraw/zinc/24/53/39/572245339.db2.gz DFCLTJVALHSZOT-DSUXNMMWSA-N 1 1 536.415 3.690 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247835369 572245565 /nfs/dbraw/zinc/24/55/65/572245565.db2.gz MYUKAGCSYARXIH-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247835369 572245563 /nfs/dbraw/zinc/24/55/63/572245563.db2.gz MYUKAGCSYARXIH-ORQYLMBXSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247835418 572245665 /nfs/dbraw/zinc/24/56/65/572245665.db2.gz MYUKAGCSYARXIH-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247835418 572245664 /nfs/dbraw/zinc/24/56/64/572245664.db2.gz MYUKAGCSYARXIH-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247849797 572246345 /nfs/dbraw/zinc/24/63/45/572246345.db2.gz URJKLHVZISVBLJ-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247849797 572246344 /nfs/dbraw/zinc/24/63/44/572246344.db2.gz URJKLHVZISVBLJ-YDSTWLSQSA-N 1 1 500.780 3.842 50 0 KHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000247895717 572248596 /nfs/dbraw/zinc/24/85/96/572248596.db2.gz ZVRKSGWNODBANZ-OOIXFGODSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000247895718 572248611 /nfs/dbraw/zinc/24/86/11/572248611.db2.gz ZVRKSGWNODBANZ-SALHDBGSSA-N 1 1 536.415 3.690 50 0 KHAAMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H]([C@H](O)c1ccc(Cl)cc1)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]12 ZINC000247895719 572248618 /nfs/dbraw/zinc/24/86/18/572248618.db2.gz ZVRKSGWNODBANZ-WEQGDAHASA-N 1 1 536.415 3.690 50 0 KHAAMO CC(=O)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247904343 572248946 /nfs/dbraw/zinc/24/89/46/572248946.db2.gz BTOIOXPAXGZINH-UHFFFAOYSA-N 1 1 524.463 3.691 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247920068 572249602 /nfs/dbraw/zinc/24/96/02/572249602.db2.gz NSYREERHQFLSAZ-DWKCODDLSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247920068 572249599 /nfs/dbraw/zinc/24/95/99/572249599.db2.gz NSYREERHQFLSAZ-DWKCODDLSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247920073 572249673 /nfs/dbraw/zinc/24/96/73/572249673.db2.gz NSYREERHQFLSAZ-SCYDXJQRSA-N 1 1 500.780 3.842 50 0 KHAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247920073 572249671 /nfs/dbraw/zinc/24/96/71/572249671.db2.gz NSYREERHQFLSAZ-SCYDXJQRSA-N 1 1 500.780 3.842 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247920748 572249509 /nfs/dbraw/zinc/24/95/09/572249509.db2.gz OGIRBWABCVNBEI-USWVPUSVSA-N 1 1 557.578 3.866 50 0 KHAAMO COc1cc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000247920748 572249506 /nfs/dbraw/zinc/24/95/06/572249506.db2.gz OGIRBWABCVNBEI-USWVPUSVSA-N 1 1 557.578 3.866 50 0 KHAAMO CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247930673 572249938 /nfs/dbraw/zinc/24/99/38/572249938.db2.gz JPQPMIBJUYLDLZ-FQEVSTJZSA-N 1 1 524.463 3.691 50 0 KHAAMO CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247930678 572249934 /nfs/dbraw/zinc/24/99/34/572249934.db2.gz JPQPMIBJUYLDLZ-HXUWFJFHSA-N 1 1 524.463 3.691 50 0 KHAAMO CC(=O)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247950340 572250643 /nfs/dbraw/zinc/25/06/43/572250643.db2.gz QOSFGAQNAQYSJZ-UHFFFAOYSA-N 1 1 524.463 3.691 50 0 KHAAMO CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960425 572250960 /nfs/dbraw/zinc/25/09/60/572250960.db2.gz VEEAZULPCFUMKZ-FQEVSTJZSA-N 1 1 524.463 3.691 50 0 KHAAMO CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247960427 572250913 /nfs/dbraw/zinc/25/09/13/572250913.db2.gz VEEAZULPCFUMKZ-HXUWFJFHSA-N 1 1 524.463 3.691 50 0 KHAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000247979298 572251249 /nfs/dbraw/zinc/25/12/49/572251249.db2.gz WIUYFMVPBXWLAG-JFHHEAKLSA-N 1 1 556.622 3.769 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](C)[C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000248000947 572251980 /nfs/dbraw/zinc/25/19/80/572251980.db2.gz SHKVOZPHCCIAOL-CBYCEKHASA-N 1 1 573.447 3.736 50 0 KHAAMO Cc1ccc(NC(=O)CN2c3ccccc3[C@@]3([NH2+][C@H](C)[C@@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]43)C2=O)cc1 ZINC000248000951 572251954 /nfs/dbraw/zinc/25/19/54/572251954.db2.gz SHKVOZPHCCIAOL-RIGAIPTQSA-N 1 1 573.447 3.736 50 0 KHAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](CCO)C[C@H]12 ZINC000248050234 572252903 /nfs/dbraw/zinc/25/29/03/572252903.db2.gz WYIVSGKTNNUPOE-GMAHTHKFSA-N 1 1 503.828 3.551 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248060275 572253003 /nfs/dbraw/zinc/25/30/03/572253003.db2.gz DEMOVKUOLXPNJI-JIPXPUAJSA-N 1 1 511.688 3.797 50 0 KHAAMO CCOC(=O)CCC(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248060285 572252986 /nfs/dbraw/zinc/25/29/86/572252986.db2.gz DEMOVKUOLXPNJI-KDYSTLNUSA-N 1 1 511.688 3.797 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000248072398 572253121 /nfs/dbraw/zinc/25/31/21/572253121.db2.gz HJHLAUJRBLUPMU-RBTNQOKQSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000248072398 572253120 /nfs/dbraw/zinc/25/31/20/572253120.db2.gz HJHLAUJRBLUPMU-RBTNQOKQSA-N 1 1 539.723 3.934 50 0 KHAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000248089347 572253378 /nfs/dbraw/zinc/25/33/78/572253378.db2.gz LXOZVQVXEQLWMH-QFQXNSOFSA-N 1 1 509.697 3.926 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000248089906 572253464 /nfs/dbraw/zinc/25/34/64/572253464.db2.gz GOIXEKAKNYGVGJ-SFSKKXLLSA-N 1 1 501.970 3.615 50 0 KHAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H]([C@H](O)c4ccc(Cl)cc4)[NH2+][C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 ZINC000248089913 572253365 /nfs/dbraw/zinc/25/33/65/572253365.db2.gz GOIXEKAKNYGVGJ-WEQGDAHASA-N 1 1 501.970 3.615 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000248119678 572254052 /nfs/dbraw/zinc/25/40/52/572254052.db2.gz WWEIHLYETTXOFB-RBTNQOKQSA-N 1 1 539.723 3.934 50 0 KHAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000248119678 572254050 /nfs/dbraw/zinc/25/40/50/572254050.db2.gz WWEIHLYETTXOFB-RBTNQOKQSA-N 1 1 539.723 3.934 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1 ZINC000248323040 572258007 /nfs/dbraw/zinc/25/80/07/572258007.db2.gz XJUIYSBCARVXIM-DHLKQENFSA-N 1 1 500.521 3.968 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1 ZINC000248323041 572257991 /nfs/dbraw/zinc/25/79/91/572257991.db2.gz XJUIYSBCARVXIM-WIOPSUGQSA-N 1 1 500.521 3.968 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1 ZINC000248341881 572258432 /nfs/dbraw/zinc/25/84/32/572258432.db2.gz ZXKWAJAZDIDWSO-DHLKQENFSA-N 1 1 511.420 3.711 50 0 KHAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1 ZINC000248341884 572258429 /nfs/dbraw/zinc/25/84/29/572258429.db2.gz ZXKWAJAZDIDWSO-WIOPSUGQSA-N 1 1 511.420 3.711 50 0 KHAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@H]4CC)C3)cc21 ZINC000251819247 572259512 /nfs/dbraw/zinc/25/95/12/572259512.db2.gz PDHUCTZMUHAVDS-LEWJYISDSA-N 1 1 583.593 3.530 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000252527545 572262487 /nfs/dbraw/zinc/26/24/87/572262487.db2.gz CVOPJGXEVFAMOX-NIQGLAOKSA-N 1 1 594.753 3.900 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000252527546 572262447 /nfs/dbraw/zinc/26/24/47/572262447.db2.gz CVOPJGXEVFAMOX-QPFIFXANSA-N 1 1 594.753 3.900 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000252527547 572262500 /nfs/dbraw/zinc/26/25/00/572262500.db2.gz CVOPJGXEVFAMOX-YDIMZXDKSA-N 1 1 594.753 3.900 50 0 KHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252570361 572263594 /nfs/dbraw/zinc/26/35/94/572263594.db2.gz WNEJFIBMSCCHBS-GDLZYMKVSA-N 1 1 643.785 3.837 50 0 KHAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584382 572263782 /nfs/dbraw/zinc/26/37/82/572263782.db2.gz ADRCYVWWXJILOS-IFBKVWNHSA-N 1 1 580.770 3.847 50 0 KHAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584383 572263789 /nfs/dbraw/zinc/26/37/89/572263789.db2.gz ADRCYVWWXJILOS-LKXZCJLHSA-N 1 1 580.770 3.847 50 0 KHAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584384 572263795 /nfs/dbraw/zinc/26/37/95/572263795.db2.gz ADRCYVWWXJILOS-VYTMLQIFSA-N 1 1 580.770 3.847 50 0 KHAAMO CCCC[N@@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(OC)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584385 572263793 /nfs/dbraw/zinc/26/37/93/572263793.db2.gz ADRCYVWWXJILOS-YUQCNNNTSA-N 1 1 580.770 3.847 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC ZINC000252616771 572268861 /nfs/dbraw/zinc/26/88/61/572268861.db2.gz KFDDPVMIQMFHBI-VDGOBIGHSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC ZINC000252616771 572268860 /nfs/dbraw/zinc/26/88/60/572268860.db2.gz KFDDPVMIQMFHBI-VDGOBIGHSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000252616772 572268875 /nfs/dbraw/zinc/26/88/75/572268875.db2.gz KFDDPVMIQMFHBI-ZLCXYOEVSA-N 1 1 578.662 3.919 50 0 KHAAMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)COc2ccc(OC)cc2)[C@H]1OC ZINC000252616772 572268874 /nfs/dbraw/zinc/26/88/74/572268874.db2.gz KFDDPVMIQMFHBI-ZLCXYOEVSA-N 1 1 578.662 3.919 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000253388504 572282941 /nfs/dbraw/zinc/28/29/41/572282941.db2.gz MHYRXIQJRCPVSR-PDTFHCFTSA-N 1 1 502.574 3.843 50 0 KHAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1C ZINC000253388504 572282940 /nfs/dbraw/zinc/28/29/40/572282940.db2.gz MHYRXIQJRCPVSR-PDTFHCFTSA-N 1 1 502.574 3.843 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388965 572283106 /nfs/dbraw/zinc/28/31/06/572283106.db2.gz HPBPIGUENFIQHE-KPURRNSFSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388965 572283105 /nfs/dbraw/zinc/28/31/05/572283105.db2.gz HPBPIGUENFIQHE-KPURRNSFSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388966 572283231 /nfs/dbraw/zinc/28/32/31/572283231.db2.gz HPBPIGUENFIQHE-PZGXJGMVSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000253388966 572283229 /nfs/dbraw/zinc/28/32/29/572283229.db2.gz HPBPIGUENFIQHE-PZGXJGMVSA-N 1 1 503.668 3.972 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388975 572283189 /nfs/dbraw/zinc/28/31/89/572283189.db2.gz KZUFVSWFSMICEU-UZTOHYMASA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388975 572283188 /nfs/dbraw/zinc/28/31/88/572283188.db2.gz KZUFVSWFSMICEU-UZTOHYMASA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388976 572283154 /nfs/dbraw/zinc/28/31/54/572283154.db2.gz KZUFVSWFSMICEU-XHCCPWGMSA-N 1 1 503.624 3.797 50 0 KHAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253388976 572283153 /nfs/dbraw/zinc/28/31/53/572283153.db2.gz KZUFVSWFSMICEU-XHCCPWGMSA-N 1 1 503.624 3.797 50 0 KHAAMO NC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253399375 572284595 /nfs/dbraw/zinc/28/45/95/572284595.db2.gz CWVKUUMRGKIHNH-RUZDIDTESA-N 1 1 518.610 3.895 50 0 KHAAMO NC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253399377 572284657 /nfs/dbraw/zinc/28/46/57/572284657.db2.gz CWVKUUMRGKIHNH-VWLOTQADSA-N 1 1 518.610 3.895 50 0 KHAAMO COc1ccc(CCOc2c(OC)cccc2[C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1 ZINC000253399642 572284867 /nfs/dbraw/zinc/28/48/67/572284867.db2.gz DDZBARZFLXSSHM-DEOSSOPVSA-N 1 1 536.625 3.977 50 0 KHAAMO COc1ccc(CCOc2c(OC)cccc2[C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1 ZINC000253399644 572284774 /nfs/dbraw/zinc/28/47/74/572284774.db2.gz DDZBARZFLXSSHM-XMMPIXPASA-N 1 1 536.625 3.977 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000253406753 572286445 /nfs/dbraw/zinc/28/64/45/572286445.db2.gz JFJIELREPXLGPS-MMOLPGFLSA-N 1 1 546.668 3.980 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253406755 572286371 /nfs/dbraw/zinc/28/63/71/572286371.db2.gz JFJIELREPXLGPS-YOLRXJNRSA-N 1 1 546.668 3.980 50 0 KHAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[NH+](C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253411540 572287677 /nfs/dbraw/zinc/28/76/77/572287677.db2.gz OTOFQCBNBLRFSG-VWLOTQADSA-N 1 1 580.726 3.609 50 0 KHAAMO COc1ccc(CCOc2ccc([C@H](CC(N)=O)c3oc(C[NH+]4CCCCC4)cc(=O)c3O)cc2OC)cc1 ZINC000253412986 572288244 /nfs/dbraw/zinc/28/82/44/572288244.db2.gz SQSPPPPLGGETKD-DEOSSOPVSA-N 1 1 536.625 3.977 50 0 KHAAMO COc1ccc(CCOc2ccc([C@@H](CC(N)=O)c3oc(C[NH+]4CCCCC4)cc(=O)c3O)cc2OC)cc1 ZINC000253412987 572288266 /nfs/dbraw/zinc/28/82/66/572288266.db2.gz SQSPPPPLGGETKD-XMMPIXPASA-N 1 1 536.625 3.977 50 0 KHAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)ccc1OCCc1ccc2c(c1)CCO2 ZINC000253413817 572288660 /nfs/dbraw/zinc/28/86/60/572288660.db2.gz 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/nfs/dbraw/zinc/28/93/00/572289300.db2.gz FHYXRBHOOLCUAS-QHCPKHFHSA-N 1 1 524.843 3.615 50 0 KHAAMO CCC[NH+](CCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccc(OC)cc2)c2cc(Br)ccc21 ZINC000254833831 1066852769 /nfs/dbraw/zinc/85/27/69/1066852769.db2.gz MZSVLIPHYVEDNI-UHFFFAOYSA-N 1 1 544.450 3.755 50 0 KHAAMO O=C([C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257175508 1066294154 /nfs/dbraw/zinc/29/41/54/1066294154.db2.gz BATFXFJQZALQNQ-JOCHJYFZSA-N 1 1 517.596 3.558 50 0 KHAAMO O=C([C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257175509 1066497326 /nfs/dbraw/zinc/49/73/26/1066497326.db2.gz BATFXFJQZALQNQ-QFIPXVFZSA-N 1 1 517.596 3.558 50 0 KHAAMO COc1cccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCC[N@H+]5CCC[C@@H](CN3C(=O)c3cccnc3)[C@@H]45)CC2)c1 ZINC000257176262 1066294219 /nfs/dbraw/zinc/29/42/19/1066294219.db2.gz AHZXTGNSYWHBCD-YKHAVDHNSA-N 1 1 545.728 3.924 50 0 KHAAMO CCn1nc(C)c(CNC(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)c2cccnc2)[C@@H]34)c1C 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NC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730502 1066202452 /nfs/dbraw/zinc/20/24/52/1066202452.db2.gz LEHPSKWYZSBRNB-IXLXJOPFSA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730502 1066202444 /nfs/dbraw/zinc/20/24/44/1066202444.db2.gz LEHPSKWYZSBRNB-IXLXJOPFSA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730503 1066202681 /nfs/dbraw/zinc/20/26/81/1066202681.db2.gz LEHPSKWYZSBRNB-ZSOKXDGFSA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730503 1066202674 /nfs/dbraw/zinc/20/26/74/1066202674.db2.gz LEHPSKWYZSBRNB-ZSOKXDGFSA-N 1 1 623.706 3.690 50 0 KHAAMO COc1ccc(CCOc2ccc([C@H](CC(N)=O)c3oc(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2OC)cc1 ZINC000524730978 1066204012 /nfs/dbraw/zinc/20/40/12/1066204012.db2.gz FJDQHIZURKYUKL-CRRLPVGBSA-N 1 1 641.721 3.772 50 0 KHAAMO COc1ccc(CCOc2ccc([C@H](CC(N)=O)c3oc(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2OC)cc1 ZINC000524730978 1066204003 /nfs/dbraw/zinc/20/40/03/1066204003.db2.gz FJDQHIZURKYUKL-CRRLPVGBSA-N 1 1 641.721 3.772 50 0 KHAAMO COc1ccc(CCOc2ccc([C@@H](CC(N)=O)c3oc(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2OC)cc1 ZINC000524730979 1066203820 /nfs/dbraw/zinc/20/38/20/1066203820.db2.gz FJDQHIZURKYUKL-FKIGELJASA-N 1 1 641.721 3.772 50 0 KHAAMO COc1ccc(CCOc2ccc([C@@H](CC(N)=O)c3oc(C[N@@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)cc(=O)c3O)cc2OC)cc1 ZINC000524730979 1066203805 /nfs/dbraw/zinc/20/38/05/1066203805.db2.gz FJDQHIZURKYUKL-FKIGELJASA-N 1 1 641.721 3.772 50 0 KHAAMO COc1ccc(CCOc2ccccc2[C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000524731230 1066204040 /nfs/dbraw/zinc/20/40/40/1066204040.db2.gz OYAQZXMEQIXKAA-FMGHJNRGSA-N 1 1 611.695 3.764 50 0 KHAAMO COc1ccc(CCOc2ccccc2[C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000524731230 1066204029 /nfs/dbraw/zinc/20/40/29/1066204029.db2.gz OYAQZXMEQIXKAA-FMGHJNRGSA-N 1 1 611.695 3.764 50 0 KHAAMO COc1ccc(CCOc2ccccc2[C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000524731231 1066203867 /nfs/dbraw/zinc/20/38/67/1066203867.db2.gz OYAQZXMEQIXKAA-NYULUDCUSA-N 1 1 611.695 3.764 50 0 KHAAMO COc1ccc(CCOc2ccccc2[C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000524731231 1066203854 /nfs/dbraw/zinc/20/38/54/1066203854.db2.gz OYAQZXMEQIXKAA-NYULUDCUSA-N 1 1 611.695 3.764 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000524731410 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KHAAMO COc1ccc(CCOc2c(OC)cccc2[C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000524731665 1066204501 /nfs/dbraw/zinc/20/45/01/1066204501.db2.gz GNYXNADSKZDEGP-NYULUDCUSA-N 1 1 641.721 3.772 50 0 KHAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccccc1 ZINC000526052633 1066206391 /nfs/dbraw/zinc/20/63/91/1066206391.db2.gz YBWVVFSEVYBNDX-BAGYTPMASA-N 1 1 503.672 3.810 50 0 KHAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1-c1ccccc1 ZINC000526052634 1066212837 /nfs/dbraw/zinc/21/28/37/1066212837.db2.gz YBWVVFSEVYBNDX-HJNYFJLDSA-N 1 1 503.672 3.810 50 0 KHAAMO O=C(NCCC[NH+]1CCOCC1)C1(N(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2)CCSCC1 ZINC000575443853 1066491367 /nfs/dbraw/zinc/49/13/67/1066491367.db2.gz NNVIUJUUSUNMKT-UHFFFAOYSA-N 1 1 534.726 3.957 50 0 KHAAMO O=C(Cc1ccccc1)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCCC[NH+]2CCOCC2)CCSCC1 ZINC000575443896 1066491328 /nfs/dbraw/zinc/49/13/28/1066491328.db2.gz UCJRIXKYGFWOSF-UHFFFAOYSA-N 1 1 548.753 3.886 50 0 KHAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@H]2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000581793559 1066513221 /nfs/dbraw/zinc/51/32/21/1066513221.db2.gz HNPJPTHHBGUKPP-DEOSSOPVSA-N 1 1 520.077 3.894 50 0 KHAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000581793560 1066513059 /nfs/dbraw/zinc/51/30/59/1066513059.db2.gz HNPJPTHHBGUKPP-XMMPIXPASA-N 1 1 520.077 3.894 50 0 KHAAMO COc1ccc([C@@H](CNC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)[NH+]2CCCC2)cc1 ZINC000604404204 1066506630 /nfs/dbraw/zinc/50/66/30/1066506630.db2.gz LFRZNCFSHYJTOT-DHIUTWEWSA-N 1 1 522.598 3.852 50 0 KHAAMO COc1ccc([C@H](CNC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)[NH+]2CCCC2)cc1 ZINC000604404205 1066506858 /nfs/dbraw/zinc/50/68/58/1066506858.db2.gz LFRZNCFSHYJTOT-GOTSBHOMSA-N 1 1 522.598 3.852 50 0 KHAAMO COc1ccc([C@H](CNC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)[NH+]2CCCC2)cc1 ZINC000604404206 1066506897 /nfs/dbraw/zinc/50/68/97/1066506897.db2.gz LFRZNCFSHYJTOT-PKTZIBPZSA-N 1 1 522.598 3.852 50 0 KHAAMO COc1ccc([C@@H](CNC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)[NH+]2CCCC2)cc1 ZINC000604404207 1066506711 /nfs/dbraw/zinc/50/67/11/1066506711.db2.gz LFRZNCFSHYJTOT-XZOQPEGZSA-N 1 1 522.598 3.852 50 0 KHAAMO CC(C)n1cnc(S(=O)(=O)N2CCC([N@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@@H](C)C3)CC2)c1 ZINC000618256241 1066510060 /nfs/dbraw/zinc/51/00/60/1066510060.db2.gz GODMQBDPHSKHSD-INIZCTEOSA-N 1 1 535.036 3.895 50 0 KHAAMO CC(C)n1cnc(S(=O)(=O)N2CCC([N@@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@@H](C)C3)CC2)c1 ZINC000618256241 1066510052 /nfs/dbraw/zinc/51/00/52/1066510052.db2.gz GODMQBDPHSKHSD-INIZCTEOSA-N 1 1 535.036 3.895 50 0 KHAAMO CC(C)n1cnc(S(=O)(=O)N2CCC([N@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@H](C)C3)CC2)c1 ZINC000618256243 1066510028 /nfs/dbraw/zinc/51/00/28/1066510028.db2.gz GODMQBDPHSKHSD-MRXNPFEDSA-N 1 1 535.036 3.895 50 0 KHAAMO CC(C)n1cnc(S(=O)(=O)N2CCC([N@@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@H](C)C3)CC2)c1 ZINC000618256243 1066510015 /nfs/dbraw/zinc/51/00/15/1066510015.db2.gz GODMQBDPHSKHSD-MRXNPFEDSA-N 1 1 535.036 3.895 50 0 KHAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000618256650 1066510104 /nfs/dbraw/zinc/51/01/04/1066510104.db2.gz KZDMUFJUYVQCHG-CYBMUJFWSA-N 1 1 521.993 3.722 50 0 KHAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000618256650 1066510101 /nfs/dbraw/zinc/51/01/01/1066510101.db2.gz KZDMUFJUYVQCHG-CYBMUJFWSA-N 1 1 521.993 3.722 50 0 KHAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000618256653 1066510193 /nfs/dbraw/zinc/51/01/93/1066510193.db2.gz KZDMUFJUYVQCHG-ZDUSSCGKSA-N 1 1 521.993 3.722 50 0 KHAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000618256653 1066510185 /nfs/dbraw/zinc/51/01/85/1066510185.db2.gz KZDMUFJUYVQCHG-ZDUSSCGKSA-N 1 1 521.993 3.722 50 0 KHAAMO O=S(=O)(c1cccc2cccnc21)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618256662 1066510083 /nfs/dbraw/zinc/51/00/83/1066510083.db2.gz LDKWRAYOAOEZHR-UHFFFAOYSA-N 1 1 505.566 3.624 50 0 KHAAMO COCC(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618256834 1066509956 /nfs/dbraw/zinc/50/99/56/1066509956.db2.gz MKZSANXICOSOAU-UHFFFAOYSA-N 1 1 543.590 3.987 50 0 KHAAMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257484 1066509842 /nfs/dbraw/zinc/50/98/42/1066509842.db2.gz XMJPCKKBCWUXFW-HNNXBMFYSA-N 1 1 503.978 3.513 50 0 KHAAMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257484 1066509831 /nfs/dbraw/zinc/50/98/31/1066509831.db2.gz XMJPCKKBCWUXFW-HNNXBMFYSA-N 1 1 503.978 3.513 50 0 KHAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257485 1066510138 /nfs/dbraw/zinc/51/01/38/1066510138.db2.gz XMJPCKKBCWUXFW-OAHLLOKOSA-N 1 1 503.978 3.513 50 0 KHAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cccnc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257485 1066510129 /nfs/dbraw/zinc/51/01/29/1066510129.db2.gz XMJPCKKBCWUXFW-OAHLLOKOSA-N 1 1 503.978 3.513 50 0 KHAAMO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000618257536 1066509865 /nfs/dbraw/zinc/50/98/65/1066509865.db2.gz ZFTIOYQSQOTMCN-UHFFFAOYSA-N 1 1 562.662 3.937 50 0 KHAAMO C=CC(=O)N1CC[NH+](CCCn2c3nc(NC)ncc3cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c2=O)CC1 ZINC000725382019 1066864916 /nfs/dbraw/zinc/86/49/16/1066864916.db2.gz PUIXMSRTTHLNKI-UHFFFAOYSA-N 1 1 561.470 3.545 50 0 KHAAMO COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCc2c3c(c(OC)c4c2CC[N@@H+](C)C4)OCO3)cc1 ZINC000824692079 1066512210 /nfs/dbraw/zinc/51/22/10/1066512210.db2.gz FOKKEMWBSJLTON-UHFFFAOYSA-N 1 1 546.576 3.954 50 0 KHAAMO COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000824692085 1066512295 /nfs/dbraw/zinc/51/22/95/1066512295.db2.gz GOTHVZAFXHJLBT-UHFFFAOYSA-N 1 1 507.631 3.979 50 0 KHAAMO NC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000888088856 1066321899 /nfs/dbraw/zinc/32/18/99/1066321899.db2.gz URPPHEWURHCWMY-CRRLPVGBSA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000888088856 1066321881 /nfs/dbraw/zinc/32/18/81/1066321881.db2.gz URPPHEWURHCWMY-CRRLPVGBSA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000888088857 1066322072 /nfs/dbraw/zinc/32/20/72/1066322072.db2.gz URPPHEWURHCWMY-FKIGELJASA-N 1 1 623.706 3.690 50 0 KHAAMO NC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000888088857 1066322057 /nfs/dbraw/zinc/32/20/57/1066322057.db2.gz URPPHEWURHCWMY-FKIGELJASA-N 1 1 623.706 3.690 50 0 KHAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)[C@H]21 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COc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952856079 1066517186 /nfs/dbraw/zinc/51/71/86/1066517186.db2.gz HZTNLCKLXFQMRI-WEZIJMHWSA-N 1 1 594.716 3.991 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952856079 1066517175 /nfs/dbraw/zinc/51/71/75/1066517175.db2.gz HZTNLCKLXFQMRI-WEZIJMHWSA-N 1 1 594.716 3.991 50 0 KHAAMO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1cc(C3CCCCC3)no1)CCCNC(=O)CC2 ZINC000952856147 1066517066 /nfs/dbraw/zinc/51/70/66/1066517066.db2.gz NSJGQOQFCHGDMI-DEOSSOPVSA-N 1 1 611.784 3.808 50 0 KHAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856172 1066517041 /nfs/dbraw/zinc/51/70/41/1066517041.db2.gz QAVRONXNRRWMTN-QVWWMRLHSA-N 1 1 556.663 3.806 50 0 KHAAMO O=C(CC[NH+]1CCOCC1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952856180 1066517108 /nfs/dbraw/zinc/51/71/08/1066517108.db2.gz QUZXWKRSNHXHGW-HKBQPEDESA-N 1 1 557.647 3.893 50 0 KHAAMO CCc1[nH+]ccn1CCC(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952856504 1066517533 /nfs/dbraw/zinc/51/75/33/1066517533.db2.gz KDKOUFSMKLHPGD-NSOVKSMOSA-N 1 1 543.668 3.518 50 0 KHAAMO O=C1COc2ccc3c(c2)CC[N@H+](Cc2ccccc2OCCN2CCOCC2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856585 1066517948 /nfs/dbraw/zinc/51/79/48/1066517948.db2.gz ALJVBLUZPHPLMF-XIFFEERXSA-N 1 1 557.691 3.823 50 0 KHAAMO O=C1COc2ccc3c(c2)CC[N@@H+](Cc2ccccc2OCCN2CCOCC2)[C@H]3c2cccc(c2)OCCCN1 ZINC000952856585 1066517942 /nfs/dbraw/zinc/51/79/42/1066517942.db2.gz ALJVBLUZPHPLMF-XIFFEERXSA-N 1 1 557.691 3.823 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cc(N)nc(SC)[nH+]3)C[C@@H]1NC(=O)CC2 ZINC000952856663 1066518066 /nfs/dbraw/zinc/51/80/66/1066518066.db2.gz KSEVYJZZJGBEBH-LEWJYISDSA-N 1 1 521.643 3.808 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(c3cc(N)[nH+]c(SC)n3)C[C@@H]1NC(=O)CC2 ZINC000952856663 1066518052 /nfs/dbraw/zinc/51/80/52/1066518052.db2.gz KSEVYJZZJGBEBH-LEWJYISDSA-N 1 1 521.643 3.808 50 0 KHAAMO CCOc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1CO ZINC000952857077 1066518557 /nfs/dbraw/zinc/51/85/57/1066518557.db2.gz HYUFHYOXSMXZIS-FIBWVYCGSA-N 1 1 559.663 3.650 50 0 KHAAMO CCOc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1CO ZINC000952857077 1066518554 /nfs/dbraw/zinc/51/85/54/1066518554.db2.gz HYUFHYOXSMXZIS-FIBWVYCGSA-N 1 1 559.663 3.650 50 0 KHAAMO CCCCc1nc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c[nH]1 ZINC000952857166 1066518940 /nfs/dbraw/zinc/51/89/40/1066518940.db2.gz MAGBRVXZXPJAHB-MFMCTBQISA-N 1 1 513.642 3.883 50 0 KHAAMO CCCCc1nc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c[nH]1 ZINC000952857166 1066518933 /nfs/dbraw/zinc/51/89/33/1066518933.db2.gz MAGBRVXZXPJAHB-MFMCTBQISA-N 1 1 513.642 3.883 50 0 KHAAMO CCCCc1ncc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)[nH]1 ZINC000952857166 1066518924 /nfs/dbraw/zinc/51/89/24/1066518924.db2.gz MAGBRVXZXPJAHB-MFMCTBQISA-N 1 1 513.642 3.883 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3c(C)cnn3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857177 1066519073 /nfs/dbraw/zinc/51/90/73/1066519073.db2.gz QAEMKKNTUWOYEP-LMSSTIIKSA-N 1 1 577.726 3.657 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3c(C)cnn3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857177 1066519066 /nfs/dbraw/zinc/51/90/66/1066519066.db2.gz QAEMKKNTUWOYEP-LMSSTIIKSA-N 1 1 577.726 3.657 50 0 KHAAMO CCc1ccc(C[N@H+]2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857265 1066518908 /nfs/dbraw/zinc/51/89/08/1066518908.db2.gz KSRVLRMDZASMKT-NSOVKSMOSA-N 1 1 517.626 3.973 50 0 KHAAMO CCc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CCNC(=O)CCc4ccc(cc4)Oc4cccc(c4)CO[C@H]3C2)o1 ZINC000952857265 1066518899 /nfs/dbraw/zinc/51/88/99/1066518899.db2.gz KSRVLRMDZASMKT-NSOVKSMOSA-N 1 1 517.626 3.973 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3ccc(SC)cc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857338 1066519013 /nfs/dbraw/zinc/51/90/13/1066519013.db2.gz XAOBXIMHVMZTQP-NSOVKSMOSA-N 1 1 562.692 3.584 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3ccc(SC)cc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857338 1066519008 /nfs/dbraw/zinc/51/90/08/1066519008.db2.gz XAOBXIMHVMZTQP-NSOVKSMOSA-N 1 1 562.692 3.584 50 0 KHAAMO CC(C)c1nc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)co1 ZINC000952857602 1066519504 /nfs/dbraw/zinc/51/95/04/1066519504.db2.gz ZVDNLAIHGRXMNX-LITSAYRRSA-N 1 1 500.599 3.928 50 0 KHAAMO CC(C)c1nc(C[N@@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)co1 ZINC000952857602 1066519491 /nfs/dbraw/zinc/51/94/91/1066519491.db2.gz ZVDNLAIHGRXMNX-LITSAYRRSA-N 1 1 500.599 3.928 50 0 KHAAMO COc1cc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)cc(OC)c1OC ZINC000952857875 1066519989 /nfs/dbraw/zinc/51/99/89/1066519989.db2.gz ZRZZIOWZPCHCSG-XDFJSJKPSA-N 1 1 557.647 3.843 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH+]c(C)n3C)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857876 1066519935 /nfs/dbraw/zinc/51/99/35/1066519935.db2.gz RNXJRVCMMQBHRM-URLMMPGGSA-N 1 1 577.726 3.657 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857915 1066520492 /nfs/dbraw/zinc/52/04/92/1066520492.db2.gz YIUCESHLCYZMEB-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857915 1066520484 /nfs/dbraw/zinc/52/04/84/1066520484.db2.gz YIUCESHLCYZMEB-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]2NC(=O)CCN1 ZINC000952857927 1066520456 /nfs/dbraw/zinc/52/04/56/1066520456.db2.gz TZBFCEMYVMMVJD-JDXGNMNLSA-N 1 1 541.648 3.752 50 0 KHAAMO O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]2NC(=O)CCN1 ZINC000952857927 1066520445 /nfs/dbraw/zinc/52/04/45/1066520445.db2.gz TZBFCEMYVMMVJD-JDXGNMNLSA-N 1 1 541.648 3.752 50 0 KHAAMO Cc1ccc2c(C)cc(N3C[C@@H]4NC(=O)c5cccc(c5)OCCCn5cc(nn5)CO[C@H]4C3)[nH+]c2c1C ZINC000952858187 1066520639 /nfs/dbraw/zinc/52/06/39/1066520639.db2.gz XURNUTXJEUHGGM-UIOOFZCWSA-N 1 1 512.614 3.738 50 0 KHAAMO COc1cccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1 ZINC000952858564 1066520371 /nfs/dbraw/zinc/52/03/71/1066520371.db2.gz CWTLDYLCFGOJKZ-WNJJXGMVSA-N 1 1 517.626 3.827 50 0 KHAAMO COc1cccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1 ZINC000952858564 1066520360 /nfs/dbraw/zinc/52/03/60/1066520360.db2.gz CWTLDYLCFGOJKZ-WNJJXGMVSA-N 1 1 517.626 3.827 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3c(C)nc4ccccn43)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858575 1066520568 /nfs/dbraw/zinc/52/05/68/1066520568.db2.gz DOANBRPWFJLFDY-SMCANUKXSA-N 1 1 628.730 3.663 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3c(C)nc4ccccn43)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858575 1066520554 /nfs/dbraw/zinc/52/05/54/1066520554.db2.gz DOANBRPWFJLFDY-SMCANUKXSA-N 1 1 628.730 3.663 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CC[N@@H+](Cc3ccc(C)o3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952858834 1066521117 /nfs/dbraw/zinc/52/11/17/1066521117.db2.gz HCLPTBOVUNOXAE-SVBPBHIXSA-N 1 1 563.651 3.503 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CC[N@H+](Cc3ccc(C)o3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952858834 1066521105 /nfs/dbraw/zinc/52/11/05/1066521105.db2.gz HCLPTBOVUNOXAE-SVBPBHIXSA-N 1 1 563.651 3.503 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952858972 1066520977 /nfs/dbraw/zinc/52/09/77/1066520977.db2.gz KUBOEENPDHTZFV-JDXGNMNLSA-N 1 1 568.674 3.886 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952858972 1066520967 /nfs/dbraw/zinc/52/09/67/1066520967.db2.gz KUBOEENPDHTZFV-JDXGNMNLSA-N 1 1 568.674 3.886 50 0 KHAAMO CCn1nc(C)c(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1C ZINC000952859242 1066520934 /nfs/dbraw/zinc/52/09/34/1066520934.db2.gz PXAKSLZFUFWFAR-MFMCTBQISA-N 1 1 513.642 3.650 50 0 KHAAMO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](CCc3ccccn3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952859403 1066520996 /nfs/dbraw/zinc/52/09/96/1066520996.db2.gz WEJXTKMMYVYXMJ-URLMMPGGSA-N 1 1 544.652 3.677 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccc(C)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859412 1066520906 /nfs/dbraw/zinc/52/09/06/1066520906.db2.gz WSZOWOJFYGQAHM-VMPREFPWSA-N 1 1 578.666 3.608 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(C)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952859412 1066520903 /nfs/dbraw/zinc/52/09/03/1066520903.db2.gz WSZOWOJFYGQAHM-VMPREFPWSA-N 1 1 578.666 3.608 50 0 KHAAMO COc1cccc2c1OCCCn1cc(nn1)CC[N@@H+](Cc1ccc(C)s1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952859574 1066521476 /nfs/dbraw/zinc/52/14/76/1066521476.db2.gz YPOMVCOXDHSCHD-NDEPHWFRSA-N 1 1 602.761 3.641 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861459 1066521624 /nfs/dbraw/zinc/52/16/24/1066521624.db2.gz AKDWRVREQNJNFL-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861459 1066521609 /nfs/dbraw/zinc/52/16/09/1066521609.db2.gz AKDWRVREQNJNFL-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO CC1=C(CC[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)C(C)(C)CCC1 ZINC000952861764 1066522169 /nfs/dbraw/zinc/52/21/69/1066522169.db2.gz ALVNFNWPNDBODM-QHCPKHFHSA-N 1 1 556.748 3.867 50 0 KHAAMO COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cnc(-c3ccccc3C)s1)CCCNC2=O ZINC000952861774 1066522075 /nfs/dbraw/zinc/52/20/75/1066522075.db2.gz GUFHJRBQRKKVRY-QHCPKHFHSA-N 1 1 607.777 3.885 50 0 KHAAMO COc1cccc2c1OCCCn1cc(nn1)CC[N@@H+](Cc1cc(-c3ccccc3)no1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861861 1066522154 /nfs/dbraw/zinc/52/21/54/1066522154.db2.gz IGZIEWHPZGSALA-YTTGMZPUSA-N 1 1 649.752 3.926 50 0 KHAAMO COc1cccc2c1OCCCn1cc(nn1)CC[N@H+](Cc1cc(-c3ccccc3)no1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861861 1066522147 /nfs/dbraw/zinc/52/21/47/1066522147.db2.gz IGZIEWHPZGSALA-YTTGMZPUSA-N 1 1 649.752 3.926 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862004 1066522189 /nfs/dbraw/zinc/52/21/89/1066522189.db2.gz HSPAFNLYAJKIFJ-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862004 1066522184 /nfs/dbraw/zinc/52/21/84/1066522184.db2.gz HSPAFNLYAJKIFJ-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862147 1066522497 /nfs/dbraw/zinc/52/24/97/1066522497.db2.gz GGYCTDBVRFCRTK-KYJUHHDHSA-N 1 1 592.668 3.846 50 0 KHAAMO CC(=O)c1cc(C[NH+]2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cs1 ZINC000952862228 1066522665 /nfs/dbraw/zinc/52/26/65/1066522665.db2.gz HMXWJTXHDPAOOQ-UHFFFAOYSA-N 1 1 507.660 3.509 50 0 KHAAMO CCCn1cc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c(C)n1 ZINC000952862336 1066522641 /nfs/dbraw/zinc/52/26/41/1066522641.db2.gz LLHRMCUHTYPWMK-MFMCTBQISA-N 1 1 513.642 3.732 50 0 KHAAMO CCN1CC(=O)N[C@H]2CN(C(=O)CCn3cc[nH+]c3C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952862391 1066522958 /nfs/dbraw/zinc/52/29/58/1066522958.db2.gz IXLNZUQMAOXSPA-KYJUHHDHSA-N 1 1 603.720 3.939 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3cc4c(cc3C)OCCO4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862566 1066523384 /nfs/dbraw/zinc/52/33/84/1066523384.db2.gz BNFUNKBSPQSHBD-YZNIXAGQSA-N 1 1 557.647 3.838 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3cc4c(cc3C)OCCO4)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862566 1066523378 /nfs/dbraw/zinc/52/33/78/1066523378.db2.gz BNFUNKBSPQSHBD-YZNIXAGQSA-N 1 1 557.647 3.838 50 0 KHAAMO COc1ccc(C[N@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1 ZINC000952862597 1066523539 /nfs/dbraw/zinc/52/35/39/1066523539.db2.gz BSGGTUUTWSILBO-WNJJXGMVSA-N 1 1 517.626 3.827 50 0 KHAAMO COc1ccc(C[N@@H+]2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cc1 ZINC000952862597 1066523533 /nfs/dbraw/zinc/52/35/33/1066523533.db2.gz BSGGTUUTWSILBO-WNJJXGMVSA-N 1 1 517.626 3.827 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862634 1066523439 /nfs/dbraw/zinc/52/34/39/1066523439.db2.gz COTUJDFVOGIJIK-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952862634 1066523429 /nfs/dbraw/zinc/52/34/29/1066523429.db2.gz COTUJDFVOGIJIK-XZWHSSHBSA-N 1 1 602.732 3.970 50 0 KHAAMO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1ccc(F)cc1Cl)CCCNC(=O)CC2 ZINC000952862645 1066523605 /nfs/dbraw/zinc/52/36/05/1066523605.db2.gz KFRIPZKDZNYCFP-NRFANRHFSA-N 1 1 591.124 3.565 50 0 KHAAMO CCN1CC(=O)N[C@H]2C[N@@H+](Cc3ncccc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862666 1066523482 /nfs/dbraw/zinc/52/34/82/1066523482.db2.gz QEJNIBRVPWZVOC-VMPREFPWSA-N 1 1 528.653 3.863 50 0 KHAAMO CCN1CC(=O)N[C@H]2C[N@H+](Cc3ncccc3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952862666 1066523472 /nfs/dbraw/zinc/52/34/72/1066523472.db2.gz QEJNIBRVPWZVOC-VMPREFPWSA-N 1 1 528.653 3.863 50 0 KHAAMO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](Cc3cccnc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952862722 1066523629 /nfs/dbraw/zinc/52/36/29/1066523629.db2.gz DJWBOPCKJPNOAC-WUFINQPMSA-N 1 1 530.625 3.634 50 0 KHAAMO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](Cc3cccnc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952862722 1066523624 /nfs/dbraw/zinc/52/36/24/1066523624.db2.gz DJWBOPCKJPNOAC-WUFINQPMSA-N 1 1 530.625 3.634 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862771 1066523353 /nfs/dbraw/zinc/52/33/53/1066523353.db2.gz QTANKQSCHHEAPO-VBTAUBHQSA-N 1 1 639.753 3.980 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862771 1066523345 /nfs/dbraw/zinc/52/33/45/1066523345.db2.gz QTANKQSCHHEAPO-VBTAUBHQSA-N 1 1 639.753 3.980 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3cccnc3N)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863094 1066524485 /nfs/dbraw/zinc/52/44/85/1066524485.db2.gz FJLFTAWDIFRYJG-WUFINQPMSA-N 1 1 575.710 3.593 50 0 KHAAMO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cccnc3N)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863094 1066524470 /nfs/dbraw/zinc/52/44/70/1066524470.db2.gz FJLFTAWDIFRYJG-WUFINQPMSA-N 1 1 575.710 3.593 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@H+](C3CCc4ccccc4CC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863147 1066524600 /nfs/dbraw/zinc/52/46/00/1066524600.db2.gz BXTMUNVOLVFAKN-CONSDPRKSA-N 1 1 570.690 3.609 50 0 KHAAMO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](Cc3cccnc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863159 1066524560 /nfs/dbraw/zinc/52/45/60/1066524560.db2.gz GKIQQAOGGMMKOX-NSOVKSMOSA-N 1 1 530.625 3.682 50 0 KHAAMO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc3cccnc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952863159 1066524549 /nfs/dbraw/zinc/52/45/49/1066524549.db2.gz GKIQQAOGGMMKOX-NSOVKSMOSA-N 1 1 530.625 3.682 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863207 1066524396 /nfs/dbraw/zinc/52/43/96/1066524396.db2.gz HCAAHWZKHCWTNA-IZEXYCQBSA-N 1 1 630.702 3.690 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863207 1066524384 /nfs/dbraw/zinc/52/43/84/1066524384.db2.gz HCAAHWZKHCWTNA-IZEXYCQBSA-N 1 1 630.702 3.690 50 0 KHAAMO CCOC(=O)N1CCC([N@H+]2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952863300 1066524414 /nfs/dbraw/zinc/52/44/14/1066524414.db2.gz HVTVVQYWSMVCSE-VMPREFPWSA-N 1 1 548.684 3.763 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@H+](Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863390 1066524965 /nfs/dbraw/zinc/52/49/65/1066524965.db2.gz INKRAEPJNBYOCK-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863390 1066524956 /nfs/dbraw/zinc/52/49/56/1066524956.db2.gz INKRAEPJNBYOCK-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863647 1066518150 /nfs/dbraw/zinc/51/81/50/1066518150.db2.gz DDYYFLYCSZSCSL-IZEXYCQBSA-N 1 1 570.690 3.946 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863647 1066518141 /nfs/dbraw/zinc/51/81/41/1066518141.db2.gz DDYYFLYCSZSCSL-IZEXYCQBSA-N 1 1 570.690 3.946 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863911 1066526017 /nfs/dbraw/zinc/52/60/17/1066526017.db2.gz DSXRTHDXMWSTIM-YZNIXAGQSA-N 1 1 529.637 3.754 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863911 1066526005 /nfs/dbraw/zinc/52/60/05/1066526005.db2.gz DSXRTHDXMWSTIM-YZNIXAGQSA-N 1 1 529.637 3.754 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864136 1066526126 /nfs/dbraw/zinc/52/61/26/1066526126.db2.gz LOXNANPPAJNGCL-WNJJXGMVSA-N 1 1 608.761 3.868 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3sc(C)nc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864136 1066526121 /nfs/dbraw/zinc/52/61/21/1066526121.db2.gz LOXNANPPAJNGCL-WNJJXGMVSA-N 1 1 608.761 3.868 50 0 KHAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(OC(C)C)cc(c3)C(=O)N(CC)CC(=O)N[C@H]2C1 ZINC000952864186 1066526527 /nfs/dbraw/zinc/52/65/27/1066526527.db2.gz MKLBZSSTUZKLDC-VMPREFPWSA-N 1 1 603.720 3.803 50 0 KHAAMO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864253 1066526498 /nfs/dbraw/zinc/52/64/98/1066526498.db2.gz NGSXTTJDIJOQIB-VMPREFPWSA-N 1 1 621.760 3.580 50 0 KHAAMO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@H+](Cc3cnc(N4CCOCC4)s3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952864253 1066526488 /nfs/dbraw/zinc/52/64/88/1066526488.db2.gz NGSXTTJDIJOQIB-VMPREFPWSA-N 1 1 621.760 3.580 50 0 KHAAMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952864422 1066526966 /nfs/dbraw/zinc/52/69/66/1066526966.db2.gz HCNPLJRYYQDKST-IZZNHLLZSA-N 1 1 518.614 3.754 50 0 KHAAMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952864422 1066526952 /nfs/dbraw/zinc/52/69/52/1066526952.db2.gz HCNPLJRYYQDKST-IZZNHLLZSA-N 1 1 518.614 3.754 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3cc(OC)ccc3F)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864445 1066526824 /nfs/dbraw/zinc/52/68/24/1066526824.db2.gz HSKWPVHENBZECW-CONSDPRKSA-N 1 1 622.694 3.854 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cc(OC)ccc3F)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864445 1066526811 /nfs/dbraw/zinc/52/68/11/1066526811.db2.gz HSKWPVHENBZECW-CONSDPRKSA-N 1 1 622.694 3.854 50 0 KHAAMO CCCn1ncc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c1C ZINC000952864524 1066527106 /nfs/dbraw/zinc/52/71/06/1066527106.db2.gz IMAXZJZATRXDCG-MFMCTBQISA-N 1 1 513.642 3.732 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](CCC(C)C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864546 1066527038 /nfs/dbraw/zinc/52/70/38/1066527038.db2.gz IRWPCIVLTCWNIW-NSOVKSMOSA-N 1 1 554.688 3.552 50 0 KHAAMO COc1ccnc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)c1 ZINC000952864569 1066526857 /nfs/dbraw/zinc/52/68/57/1066526857.db2.gz IXRVTXZCTSMEIG-MFMCTBQISA-N 1 1 512.610 3.563 50 0 KHAAMO CCn1nc(C)c(C[N@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952864703 1066527557 /nfs/dbraw/zinc/52/75/57/1066527557.db2.gz OKDPXTGLJQKVII-XCZPVHLTSA-N 1 1 531.657 3.592 50 0 KHAAMO CCn1nc(C)c(C[N@@H+]2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952864703 1066527551 /nfs/dbraw/zinc/52/75/51/1066527551.db2.gz OKDPXTGLJQKVII-XCZPVHLTSA-N 1 1 531.657 3.592 50 0 KHAAMO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864784 1066527594 /nfs/dbraw/zinc/52/75/94/1066527594.db2.gz LXZHRVNCAOHEFR-SVBPBHIXSA-N 1 1 554.688 3.552 50 0 KHAAMO CCc1ccc(C[N@H+]2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952864909 1066527468 /nfs/dbraw/zinc/52/74/68/1066527468.db2.gz SDMYQKVUIAUADP-CONSDPRKSA-N 1 1 603.720 3.664 50 0 KHAAMO CCc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)nc1 ZINC000952864909 1066527457 /nfs/dbraw/zinc/52/74/57/1066527457.db2.gz SDMYQKVUIAUADP-CONSDPRKSA-N 1 1 603.720 3.664 50 0 KHAAMO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](Cc1cnc(C3CCCCC3)nc1)CCCNC(=O)CC2 ZINC000952865006 1066528054 /nfs/dbraw/zinc/52/80/54/1066528054.db2.gz KYCNKQPHINMUIZ-VWLOTQADSA-N 1 1 622.811 3.610 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](CCOc3ccccc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865160 1066527920 /nfs/dbraw/zinc/52/79/20/1066527920.db2.gz UIJMMHPBZOGQIA-WNJJXGMVSA-N 1 1 517.626 3.698 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](CCOc3ccccc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865160 1066527908 /nfs/dbraw/zinc/52/79/08/1066527908.db2.gz UIJMMHPBZOGQIA-WNJJXGMVSA-N 1 1 517.626 3.698 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@H+](Cc3ccncc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865321 1066528578 /nfs/dbraw/zinc/52/85/78/1066528578.db2.gz WFBCSPGDEMZDRE-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3ccncc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865321 1066528571 /nfs/dbraw/zinc/52/85/71/1066528571.db2.gz WFBCSPGDEMZDRE-IZZNHLLZSA-N 1 1 500.599 3.544 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865438 1066529119 /nfs/dbraw/zinc/52/91/19/1066529119.db2.gz XUFULFOAYIKTMN-NYDCQLBNSA-N 1 1 584.717 3.923 50 0 KHAAMO O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2C[N@@H+](C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]2N1 ZINC000952865472 1066528858 /nfs/dbraw/zinc/52/88/58/1066528858.db2.gz YYHNDEMYVGWXKX-ACHIHNKUSA-N 1 1 581.717 3.842 50 0 KHAAMO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865595 1066528957 /nfs/dbraw/zinc/52/89/57/1066528957.db2.gz SMOGXDVHUXRGGW-SMCANUKXSA-N 1 1 582.701 3.863 50 0 KHAAMO CCOC(=O)N1CCC([N@H+]2C[C@@H]3NC(=O)CN(C4CC4)C(=O)CCc4ccc(c(OC)c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952865711 1066529517 /nfs/dbraw/zinc/52/95/17/1066529517.db2.gz XDAPBGKONDQTEE-IZEXYCQBSA-N 1 1 620.747 3.731 50 0 KHAAMO COc1cc2ccc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865725 1066529623 /nfs/dbraw/zinc/52/96/23/1066529623.db2.gz RAWYJVZZRNLPPU-DITALETJSA-N 1 1 615.727 3.682 50 0 KHAAMO COc1cc2ccc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3cccc(OCCO)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865725 1066529613 /nfs/dbraw/zinc/52/96/13/1066529613.db2.gz RAWYJVZZRNLPPU-DITALETJSA-N 1 1 615.727 3.682 50 0 KHAAMO Cc1cccc(C[N@H+]2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952865774 1066529670 /nfs/dbraw/zinc/52/96/70/1066529670.db2.gz VLSBXBQEOYJZRD-RRPNLBNLSA-N 1 1 514.626 3.852 50 0 KHAAMO Cc1cccc(C[N@@H+]2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952865774 1066529665 /nfs/dbraw/zinc/52/96/65/1066529665.db2.gz VLSBXBQEOYJZRD-RRPNLBNLSA-N 1 1 514.626 3.852 50 0 KHAAMO COc1c(C)c[nH+]c(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1C ZINC000952865952 1066530214 /nfs/dbraw/zinc/53/02/14/1066530214.db2.gz YNPONOSTMNUIQJ-XCZPVHLTSA-N 1 1 544.652 3.779 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@H+](Cc3cc(=O)[nH]c(C)n3)C[C@@H]1NC(=O)CC2 ZINC000952866064 1066530236 /nfs/dbraw/zinc/53/02/36/1066530236.db2.gz YOFXDTFZRKEFSW-BJKOFHAPSA-N 1 1 504.587 3.514 50 0 KHAAMO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3cc(=O)[nH]c(C)n3)C[C@@H]1NC(=O)CC2 ZINC000952866064 1066530229 /nfs/dbraw/zinc/53/02/29/1066530229.db2.gz YOFXDTFZRKEFSW-BJKOFHAPSA-N 1 1 504.587 3.514 50 0 KHAAMO COc1ccc(C[N@H+]2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c(OC)c1OC ZINC000952866097 1066530304 /nfs/dbraw/zinc/53/03/04/1066530304.db2.gz ZXXHWUSJMBVOOR-XDFJSJKPSA-N 1 1 557.647 3.843 50 0 KHAAMO COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1C[N@@H+](Cc3ccc(OCCO)cc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952867573 1066530037 /nfs/dbraw/zinc/53/00/37/1066530037.db2.gz PRFIWCGLSKUWQS-CONSDPRKSA-N 1 1 589.689 3.658 50 0 KHAAMO COCCN1CC(=O)N[C@H]2C[N@H+](C3CCCCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952867822 1066530274 /nfs/dbraw/zinc/53/02/74/1066530274.db2.gz SECSOLYNJABGAU-FIBWVYCGSA-N 1 1 565.711 3.927 50 0 KHAAMO O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2NC(=O)CCN1 ZINC000952868422 1066525501 /nfs/dbraw/zinc/52/55/01/1066525501.db2.gz OGTQLQNOBSAFIG-YTMVLYRLSA-N 1 1 555.635 3.800 50 0 KHAAMO O=C1CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2NC(=O)CCN1 ZINC000952868422 1066525491 /nfs/dbraw/zinc/52/54/91/1066525491.db2.gz OGTQLQNOBSAFIG-YTMVLYRLSA-N 1 1 555.635 3.800 50 0 KHAAMO COc1ccccc1C[N@H+]1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952868476 1066525643 /nfs/dbraw/zinc/52/56/43/1066525643.db2.gz PRHRNDVEQBVXPZ-SVEHJYQDSA-N 1 1 517.626 3.827 50 0 KHAAMO COc1ccccc1C[N@@H+]1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952868476 1066525633 /nfs/dbraw/zinc/52/56/33/1066525633.db2.gz PRHRNDVEQBVXPZ-SVEHJYQDSA-N 1 1 517.626 3.827 50 0 KHAAMO COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CCCNC(=O)CC2 ZINC000952869104 1066525585 /nfs/dbraw/zinc/52/55/85/1066525585.db2.gz XGJOVXUYGWOURC-YGPDHOBYSA-N 1 1 582.786 3.564 50 0 KHAAMO