smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCC[N@H+](Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730032 1069828975 /nfs/dbraw/zinc/82/89/75/1069828975.db2.gz RWHDVPZNMAAEMA-UQBPGWFLSA-N 1 1 503.083 5.134 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730032 1069829003 /nfs/dbraw/zinc/82/90/03/1069829003.db2.gz RWHDVPZNMAAEMA-UQBPGWFLSA-N 1 1 503.083 5.134 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730032 1069829028 /nfs/dbraw/zinc/82/90/28/1069829028.db2.gz RWHDVPZNMAAEMA-UQBPGWFLSA-N 1 1 503.083 5.134 50 10 KKCAMO COCCC[N@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730077 1069829127 /nfs/dbraw/zinc/82/91/27/1069829127.db2.gz UWDWHQIBJYUYBQ-PWUYWRBVSA-N 1 1 553.143 6.154 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730077 1069829153 /nfs/dbraw/zinc/82/91/53/1069829153.db2.gz UWDWHQIBJYUYBQ-PWUYWRBVSA-N 1 1 553.143 6.154 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730077 1069829183 /nfs/dbraw/zinc/82/91/83/1069829183.db2.gz UWDWHQIBJYUYBQ-PWUYWRBVSA-N 1 1 553.143 6.154 50 10 KKCAMO COc1ccc2c3c(n(CCCNc4cc[nH+]c5cc(Cl)ccc45)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404702 1071270573 /nfs/dbraw/zinc/27/05/73/1071270573.db2.gz JFALEYKFJLMPHH-UHFFFAOYSA-N 1 1 525.992 5.934 50 10 KKCAMO COc1ccc(CN2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)c(O)c1 ZINC000067714334 1072900552 /nfs/dbraw/zinc/90/05/52/1072900552.db2.gz LRFRGSMUTDNFCN-OAQYLSRUSA-N 1 1 523.073 5.836 50 10 KKCAMO COc1ccc(CN2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)c(O)c1 ZINC000067714334 1072900571 /nfs/dbraw/zinc/90/05/71/1072900571.db2.gz LRFRGSMUTDNFCN-OAQYLSRUSA-N 1 1 523.073 5.836 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000002199385 551792483 /nfs/dbraw/zinc/79/24/83/551792483.db2.gz BGJBHNMVORQADH-YRKKDBSBSA-N 1 1 527.731 5.305 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000002199385 551792484 /nfs/dbraw/zinc/79/24/84/551792484.db2.gz BGJBHNMVORQADH-YRKKDBSBSA-N 1 1 527.731 5.305 50 10 KKCAMO CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)OCC)CC1)c(O)c1ccccc21 ZINC000002667844 552151996 /nfs/dbraw/zinc/15/19/96/552151996.db2.gz WGSDICMILORQNB-HHHXNRCGSA-N 1 1 584.496 7.448 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000013776531 553490052 /nfs/dbraw/zinc/49/00/52/553490052.db2.gz BGJBHNMVORQADH-SCWLSEGGSA-N 1 1 527.731 5.305 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000013776531 553490053 /nfs/dbraw/zinc/49/00/53/553490053.db2.gz BGJBHNMVORQADH-SCWLSEGGSA-N 1 1 527.731 5.305 50 10 KKCAMO COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000015947354 553545373 /nfs/dbraw/zinc/54/53/73/553545373.db2.gz SCEJAWMXGVMTJH-NRFANRHFSA-N 1 1 500.418 5.212 50 10 KKCAMO COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000015947354 553545374 /nfs/dbraw/zinc/54/53/74/553545374.db2.gz SCEJAWMXGVMTJH-NRFANRHFSA-N 1 1 500.418 5.212 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(CC)c3)ccc21 ZINC000020730820 553691852 /nfs/dbraw/zinc/69/18/52/553691852.db2.gz YFRVXGGGOKBAAE-UHFFFAOYSA-N 1 1 508.776 5.723 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(OC)c3)ccc21 ZINC000020730824 553691862 /nfs/dbraw/zinc/69/18/62/553691862.db2.gz KQSWOLYCTXOWSV-UHFFFAOYSA-N 1 1 510.748 5.169 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(SC)c3)ccc21 ZINC000020730857 553691885 /nfs/dbraw/zinc/69/18/85/553691885.db2.gz KAGBOJLAJGCHQA-UHFFFAOYSA-N 1 1 526.816 5.883 50 10 KKCAMO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000036030373 554143013 /nfs/dbraw/zinc/14/30/13/554143013.db2.gz FRMFSZJHVBUNHA-UZNNEEJFSA-N 1 1 521.745 8.464 50 10 KKCAMO COc1ccc(OC)c(-n2c(C)c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2-c2ccccc2)c1 ZINC000103192588 555333849 /nfs/dbraw/zinc/33/38/49/555333849.db2.gz DADGUGNEJWRYRZ-UHFFFAOYSA-N 1 1 571.721 7.017 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@H](N1CC[NH+](CCO[C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632923 571529411 /nfs/dbraw/zinc/52/94/11/571529411.db2.gz RTLRVSHZJUJWRW-XDSPJLLDSA-N 1 1 670.935 10.043 50 10 KKCAMO CCCCCCc1c(C)c2ccc([O-])c(C[N@@H+](CCCOC)C[C@@H]3CCC[NH+]4CCCC[C@H]34)c2oc1=O ZINC000524730290 1069831718 /nfs/dbraw/zinc/83/17/18/1069831718.db2.gz DIOSKTGANLGYOC-RBJSKKJNSA-N 1 1 512.735 6.033 50 10 KKCAMO CCCCCCc1c(C)c2ccc([O-])c(C[NH+](CCCOC)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2oc1=O ZINC000524730290 1069831734 /nfs/dbraw/zinc/83/17/34/1069831734.db2.gz DIOSKTGANLGYOC-RBJSKKJNSA-N 1 1 512.735 6.033 50 10 KKCAMO CCCCCCc1c(C)c2ccc([O-])c(C[NH+](CCCOC)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2oc1=O ZINC000524730290 1069831758 /nfs/dbraw/zinc/83/17/58/1069831758.db2.gz DIOSKTGANLGYOC-RBJSKKJNSA-N 1 1 512.735 6.033 50 10 KKCAMO COCCC[N@H+](Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731895 1069835245 /nfs/dbraw/zinc/83/52/45/1069835245.db2.gz OEFBWSHUYGXPCS-RBJSKKJNSA-N 1 1 504.671 5.577 50 10 KKCAMO COCCC[NH+](Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731895 1069835258 /nfs/dbraw/zinc/83/52/58/1069835258.db2.gz OEFBWSHUYGXPCS-RBJSKKJNSA-N 1 1 504.671 5.577 50 10 KKCAMO COCCC[NH+](Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731895 1069835278 /nfs/dbraw/zinc/83/52/78/1069835278.db2.gz OEFBWSHUYGXPCS-RBJSKKJNSA-N 1 1 504.671 5.577 50 10 KKCAMO O=C1c2cccc(N3CC[NH+](Cc4cc(Cl)ccc4O)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000012042017 1071236237 /nfs/dbraw/zinc/23/62/37/1071236237.db2.gz JEARDWJXAMLZJK-UHFFFAOYSA-N 1 1 545.064 5.288 50 10 KKCAMO COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)c1 ZINC000064045043 1071266948 /nfs/dbraw/zinc/26/69/48/1071266948.db2.gz LONMATFBQYRVEY-HSZRJFAPSA-N 1 1 503.620 5.845 50 10 KKCAMO CCOC(=O)c1c(C[NH+]2CCCC2)n(C2CCCCC2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000012413719 553364675 /nfs/dbraw/zinc/36/46/75/553364675.db2.gz RQMVCJAKRFMYHH-UHFFFAOYSA-N 1 1 506.485 5.449 50 10 KKCAMO C[C@@H](O)c1cccc(/N=N/c2ccc(NCC[NH+]3CCC(CCN4CCOCC4)CC3)c3ccccc23)c1 ZINC000071767100 553636397 /nfs/dbraw/zinc/63/63/97/553636397.db2.gz WTCQBOHXXPGESO-KQEOIHSVSA-N 1 1 515.702 6.155 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(OCC)cc3)ccc21 ZINC000020730893 553691810 /nfs/dbraw/zinc/69/18/10/553691810.db2.gz DLUITLNBLNHOKX-UHFFFAOYSA-N 1 1 508.707 5.394 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3OC)ccc21 ZINC000020730874 553691858 /nfs/dbraw/zinc/69/18/58/553691858.db2.gz PRMZJHQCBXAVQK-UHFFFAOYSA-N 1 1 510.748 5.169 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698858 553991923 /nfs/dbraw/zinc/99/19/23/553991923.db2.gz QYHZWLNQVIHIEP-CYTLCNBWSA-N 1 1 509.738 6.752 50 10 KKCAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698908 553992102 /nfs/dbraw/zinc/99/21/02/553992102.db2.gz YVSLMKMPIDMTMM-JTSJOTPCSA-N 1 1 517.689 5.914 50 10 KKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100748871 554466005 /nfs/dbraw/zinc/46/60/05/554466005.db2.gz XGPWDIUPGKOQMV-QFMPWRQOSA-N 1 1 545.708 6.643 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(NCc1ccccc1)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101423390 554767716 /nfs/dbraw/zinc/76/77/16/554767716.db2.gz LQIHWMJWIBLFAK-UHFFFAOYSA-N 1 1 565.073 6.506 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(NCc1ccco1)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101432876 554771484 /nfs/dbraw/zinc/77/14/84/554771484.db2.gz GRWLXRSKZDDDIU-UHFFFAOYSA-N 1 1 555.034 6.099 50 10 KKCAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096909 554879739 /nfs/dbraw/zinc/87/97/39/554879739.db2.gz IPCRSQAZPRDKIM-PDDLMNHVSA-N 1 1 555.660 6.925 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000103019007 555210777 /nfs/dbraw/zinc/21/07/77/555210777.db2.gz VSECMWWPNZFSJB-XDAJTCOGSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000103019007 555210780 /nfs/dbraw/zinc/21/07/80/555210780.db2.gz VSECMWWPNZFSJB-XDAJTCOGSA-N 1 1 550.105 5.025 50 10 KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041675 571390256 /nfs/dbraw/zinc/39/02/56/571390256.db2.gz NLBVZZROUGAGQX-UVMMSNCQSA-N 1 1 527.728 6.891 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000217664748 571602285 /nfs/dbraw/zinc/60/22/85/571602285.db2.gz VSECMWWPNZFSJB-KKVCJECGSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000217664748 571602286 /nfs/dbraw/zinc/60/22/86/571602286.db2.gz VSECMWWPNZFSJB-KKVCJECGSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000248124675 572254506 /nfs/dbraw/zinc/25/45/06/572254506.db2.gz HBPCWMZQSZCGBS-UHFFFAOYSA-N 1 1 588.550 5.357 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248135005 572254855 /nfs/dbraw/zinc/25/48/55/572254855.db2.gz MOOUIGFQQBJAOV-QHCPKHFHSA-N 1 1 588.550 5.357 50 10 KKCAMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257178578 1070973983 /nfs/dbraw/zinc/97/39/83/1070973983.db2.gz BXBYLPLPJOCJAZ-HKBQPEDESA-N 1 1 535.692 5.085 50 10 KKCAMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23 ZINC000257179908 1070974618 /nfs/dbraw/zinc/97/46/18/1070974618.db2.gz DAWKSTMAXJPOMN-OTLKBGDTSA-N 1 1 544.784 5.027 50 10 KKCAMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23 ZINC000257179908 1070974625 /nfs/dbraw/zinc/97/46/25/1070974625.db2.gz DAWKSTMAXJPOMN-OTLKBGDTSA-N 1 1 544.784 5.027 50 10 KKCAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 ZINC000001758772 551694090 /nfs/dbraw/zinc/69/40/90/551694090.db2.gz WDQPOBPDBYIJCU-JGCGQSQUSA-N 1 1 583.696 7.233 50 10 KKCAMO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370791 553614114 /nfs/dbraw/zinc/61/41/14/553614114.db2.gz CJJODPBCSUJPDK-LJAQVGFWSA-N 1 1 508.756 7.564 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@H](N1CC[NH+](CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370899 553614500 /nfs/dbraw/zinc/61/45/00/553614500.db2.gz IIZOUEFDIZMEFL-MUUNZHRXSA-N 1 1 520.689 7.117 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@H]([NH+]1CCN(CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370899 553614504 /nfs/dbraw/zinc/61/45/04/553614504.db2.gz IIZOUEFDIZMEFL-MUUNZHRXSA-N 1 1 520.689 7.117 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@@H](N1CC[NH+](CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370897 553614647 /nfs/dbraw/zinc/61/46/47/553614647.db2.gz IIZOUEFDIZMEFL-NDEPHWFRSA-N 1 1 520.689 7.117 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@@H]([NH+]1CCN(CCCC(=O)c3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2 ZINC000019370897 553614648 /nfs/dbraw/zinc/61/46/48/553614648.db2.gz IIZOUEFDIZMEFL-NDEPHWFRSA-N 1 1 520.689 7.117 50 10 KKCAMO Cc1cc(C[NH+]2CCN(Cc3cc(C)cc([C@@H](C)c4ccccc4)c3O)CC2)c(O)c([C@H](C)c2ccccc2)c1 ZINC000020075893 553676373 /nfs/dbraw/zinc/67/63/73/553676373.db2.gz AASJIJNARSKYDR-HNRBIFIRSA-N 1 1 534.744 7.336 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cc(F)cc(F)c3)ccc21 ZINC000020730861 553691812 /nfs/dbraw/zinc/69/18/12/553691812.db2.gz ZTYRMWFZYMKCEY-UHFFFAOYSA-N 1 1 516.702 5.439 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(C)c3C)ccc21 ZINC000020730853 553691816 /nfs/dbraw/zinc/69/18/16/553691816.db2.gz SQHFFRIJJXZSDA-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)ccc21 ZINC000020730870 553691827 /nfs/dbraw/zinc/69/18/27/553691827.db2.gz JTIVVIYGEQNASY-UHFFFAOYSA-N 1 1 515.167 5.814 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)ccc21 ZINC000020731824 553692142 /nfs/dbraw/zinc/69/21/42/553692142.db2.gz FISFMFGQJPDTGX-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)n2-c2ccccc2F)cc1 ZINC000098020018 554116184 /nfs/dbraw/zinc/11/61/84/554116184.db2.gz OFLXKOBXEGPGOQ-UHFFFAOYSA-N 1 1 559.685 7.148 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(NCc1ccccc1)cc3N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000101424770 554767978 /nfs/dbraw/zinc/76/79/78/554767978.db2.gz JCTBMXOWXJQTMW-UHFFFAOYSA-N 1 1 542.639 6.004 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000101632924 554812011 /nfs/dbraw/zinc/81/20/11/554812011.db2.gz BXUZQRZLLFGRDG-UHFFFAOYSA-N 1 1 545.193 5.823 50 10 KKCAMO COc1ccc(O)c(C[N@@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)c1 ZINC000101773701 554837621 /nfs/dbraw/zinc/83/76/21/554837621.db2.gz ZELRNGFBFQDGSO-QFIPXVFZSA-N 1 1 564.988 6.087 50 10 KKCAMO COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)c1 ZINC000101773701 554837624 /nfs/dbraw/zinc/83/76/24/554837624.db2.gz ZELRNGFBFQDGSO-QFIPXVFZSA-N 1 1 564.988 6.087 50 10 KKCAMO COc1ccc(O)c(C[N@@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)c1 ZINC000101773706 554837717 /nfs/dbraw/zinc/83/77/17/554837717.db2.gz ZELRNGFBFQDGSO-JOCHJYFZSA-N 1 1 564.988 6.087 50 10 KKCAMO COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)c1 ZINC000101773706 554837720 /nfs/dbraw/zinc/83/77/20/554837720.db2.gz ZELRNGFBFQDGSO-JOCHJYFZSA-N 1 1 564.988 6.087 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248137403 572255056 /nfs/dbraw/zinc/25/50/56/572255056.db2.gz NTUINQMCJJQGSP-VWLOTQADSA-N 1 1 558.126 5.307 50 10 KKCAMO COCCC[N@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729713 1069826485 /nfs/dbraw/zinc/82/64/85/1069826485.db2.gz GDNFDQQCYDNJBY-LITSAYRRSA-N 1 1 532.725 5.809 50 10 KKCAMO COCCC[NH+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729713 1069826514 /nfs/dbraw/zinc/82/65/14/1069826514.db2.gz GDNFDQQCYDNJBY-LITSAYRRSA-N 1 1 532.725 5.809 50 10 KKCAMO COCCC[NH+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729713 1069826543 /nfs/dbraw/zinc/82/65/43/1069826543.db2.gz GDNFDQQCYDNJBY-LITSAYRRSA-N 1 1 532.725 5.809 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158552 553215069 /nfs/dbraw/zinc/21/50/69/553215069.db2.gz BGJBHNMVORQADH-LBGGBARHSA-N 1 1 527.731 5.305 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158552 553215071 /nfs/dbraw/zinc/21/50/71/553215071.db2.gz BGJBHNMVORQADH-LBGGBARHSA-N 1 1 527.731 5.305 50 10 KKCAMO CCOc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc(Cl)c1OCc1ccccc1 ZINC000009601831 553287025 /nfs/dbraw/zinc/28/70/25/553287025.db2.gz PIUTYAGHINCVIT-MUUNZHRXSA-N 1 1 526.036 7.476 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(NCC[NH+]1CCN(c2ccccc2)CC1)cc3N1CCCCC1 ZINC000009612257 553289609 /nfs/dbraw/zinc/28/96/09/553289609.db2.gz GKRZVXDCLYTNSP-UHFFFAOYSA-N 1 1 507.638 5.264 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3c(C)cccc3C)ccc21 ZINC000020730816 553691800 /nfs/dbraw/zinc/69/18/00/553691800.db2.gz IMWKQHYPKLHUDG-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3C)ccc21 ZINC000020730508 553691834 /nfs/dbraw/zinc/69/18/34/553691834.db2.gz SWYZZDMTAJHKSX-UHFFFAOYSA-N 1 1 529.194 6.122 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)c(C)c3)ccc21 ZINC000020730836 553691855 /nfs/dbraw/zinc/69/18/55/553691855.db2.gz YAKBDIHJLMCTHO-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cc(C)ccc3C)ccc21 ZINC000020730849 553691877 /nfs/dbraw/zinc/69/18/77/553691877.db2.gz PBAFKPBIZITRBP-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1O ZINC000035842741 554081736 /nfs/dbraw/zinc/08/17/36/554081736.db2.gz KZNNUKAWXZPSJT-UHFFFAOYSA-N 1 1 541.736 6.281 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(F)cc1)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101217909 554685022 /nfs/dbraw/zinc/68/50/22/554685022.db2.gz HWKTTYJCNORWTA-UHFFFAOYSA-N 1 1 569.036 6.776 50 10 KKCAMO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000101681044 554828495 /nfs/dbraw/zinc/82/84/95/554828495.db2.gz WSMBLCWOPQSLMN-UHFFFAOYSA-N 1 1 538.692 5.594 50 10 KKCAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000102096905 554879748 /nfs/dbraw/zinc/87/97/48/554879748.db2.gz IPCRSQAZPRDKIM-FREGXXQWSA-N 1 1 555.660 6.925 50 10 KKCAMO COc1ccc(N2CCN(c3cc(-c4ccccc4)nc(SCc4ccc(C(=O)N5CC[NH+](C)CC5)cc4)n3)CC2)cc1 ZINC000103394802 555379568 /nfs/dbraw/zinc/37/95/68/555379568.db2.gz NBAOMXQBDMTCOR-UHFFFAOYSA-N 1 1 594.785 5.159 50 10 KKCAMO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)c(O)c1 ZINC000105042614 571390425 /nfs/dbraw/zinc/39/04/25/571390425.db2.gz MLYGPPXWVSMZID-UHSQPCAPSA-N 1 1 554.653 6.742 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@H](OCC[NH+]1CCN([C@@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632729 571529532 /nfs/dbraw/zinc/52/95/32/571529532.db2.gz RTLRVSHZJUJWRW-LQFQNGICSA-N 1 1 670.935 10.043 50 10 KKCAMO COCC[N@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729112 1069826285 /nfs/dbraw/zinc/82/62/85/1069826285.db2.gz DFIIHXOHEZLPJN-RBJSKKJNSA-N 1 1 504.671 5.111 50 10 KKCAMO COCC[NH+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729112 1069826300 /nfs/dbraw/zinc/82/63/00/1069826300.db2.gz DFIIHXOHEZLPJN-RBJSKKJNSA-N 1 1 504.671 5.111 50 10 KKCAMO COCC[NH+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729112 1069826310 /nfs/dbraw/zinc/82/63/10/1069826310.db2.gz DFIIHXOHEZLPJN-RBJSKKJNSA-N 1 1 504.671 5.111 50 10 KKCAMO COCCC[N@H+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729914 1069828001 /nfs/dbraw/zinc/82/80/01/1069828001.db2.gz OEOZUAHTYWQVCC-FREGXXQWSA-N 1 1 532.725 5.809 50 10 KKCAMO COCCC[NH+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729914 1069828023 /nfs/dbraw/zinc/82/80/23/1069828023.db2.gz OEOZUAHTYWQVCC-FREGXXQWSA-N 1 1 532.725 5.809 50 10 KKCAMO COCCC[NH+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729914 1069828037 /nfs/dbraw/zinc/82/80/37/1069828037.db2.gz OEOZUAHTYWQVCC-FREGXXQWSA-N 1 1 532.725 5.809 50 10 KKCAMO COCCC[N@H+](Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730639 1069830519 /nfs/dbraw/zinc/83/05/19/1069830519.db2.gz QIGCXNSRTAVUER-RPLLCQBOSA-N 1 1 504.671 5.577 50 10 KKCAMO COCCC[NH+](Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730639 1069830542 /nfs/dbraw/zinc/83/05/42/1069830542.db2.gz QIGCXNSRTAVUER-RPLLCQBOSA-N 1 1 504.671 5.577 50 10 KKCAMO COCCC[NH+](Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730639 1069830563 /nfs/dbraw/zinc/83/05/63/1069830563.db2.gz QIGCXNSRTAVUER-RPLLCQBOSA-N 1 1 504.671 5.577 50 10 KKCAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000001758774 551694123 /nfs/dbraw/zinc/69/41/23/551694123.db2.gz WDQPOBPDBYIJCU-YTTGMZPUSA-N 1 1 583.696 7.233 50 10 KKCAMO CSc1ccc2c(c1)[C@H]([NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370794 553614653 /nfs/dbraw/zinc/61/46/53/553614653.db2.gz CJJODPBCSUJPDK-GDLZYMKVSA-N 1 1 508.756 7.564 50 10 KKCAMO CCOC(=O)c1c(COc2ccccc2C(F)(F)F)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393660 553679711 /nfs/dbraw/zinc/67/97/11/553679711.db2.gz INOAWZRXAZDOBO-UHFFFAOYSA-N 1 1 527.543 5.782 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)c(Cl)c3)ccc21 ZINC000020730832 553691820 /nfs/dbraw/zinc/69/18/20/553691820.db2.gz NWLCWSBLHZBQBU-UHFFFAOYSA-N 1 1 529.194 6.122 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020731565 553692115 /nfs/dbraw/zinc/69/21/15/553692115.db2.gz QIERVCUWRRDZIC-UHFFFAOYSA-N 1 1 533.544 6.303 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698816 553991535 /nfs/dbraw/zinc/99/15/35/553991535.db2.gz NLBVZZROUGAGQX-LHXZUMEBSA-N 1 1 527.728 6.891 50 10 KKCAMO COc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)cc1 ZINC000098047138 554147092 /nfs/dbraw/zinc/14/70/92/554147092.db2.gz QHJRLWHYLOHDLX-UHFFFAOYSA-N 1 1 540.465 6.185 50 10 KKCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc43)CC2)cc1 ZINC000059503803 554400152 /nfs/dbraw/zinc/40/01/52/554400152.db2.gz CDKNRQUEKXOSPP-UHFFFAOYSA-N 1 1 507.059 5.177 50 10 KKCAMO COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@H](CC(C)C)[NH+](C)CC3)[C@H](CC(C)C)[N@H+](C)CC2 ZINC000245238952 572212737 /nfs/dbraw/zinc/21/27/37/572212737.db2.gz CVJITLJMPNQSDF-ZEQRLZLVSA-N 1 1 554.728 6.277 50 10 KKCAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247992878 572251593 /nfs/dbraw/zinc/25/15/93/572251593.db2.gz LEHRNBWLPFTONZ-OZXSUGGESA-N 1 1 514.563 6.317 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248127098 572254624 /nfs/dbraw/zinc/25/46/24/572254624.db2.gz IHROTGCIXZFFKE-QHCPKHFHSA-N 1 1 588.550 5.357 50 10 KKCAMO COc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)c(Cl)c3)CC2)cc1 ZINC000002714247 552161164 /nfs/dbraw/zinc/16/11/64/552161164.db2.gz MZGWVKXXBBXPJO-UHFFFAOYSA-N 1 1 510.041 6.385 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158555 553215077 /nfs/dbraw/zinc/21/50/77/553215077.db2.gz BGJBHNMVORQADH-FIYSCABWSA-N 1 1 527.731 5.305 50 10 KKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 ZINC000009158555 553215079 /nfs/dbraw/zinc/21/50/79/553215079.db2.gz BGJBHNMVORQADH-FIYSCABWSA-N 1 1 527.731 5.305 50 10 KKCAMO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](C2=CC(=NNc4cccc(Br)c4)C=CC2=O)N3)C1 ZINC000015947245 553545126 /nfs/dbraw/zinc/54/51/26/553545126.db2.gz NUPOLUOZQWZYTR-CUDYFHFOSA-N 1 1 512.433 6.439 50 10 KKCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](C2=CC(=NNc4cccc(Br)c4)C=CC2=O)N3)C1 ZINC000015947245 553545127 /nfs/dbraw/zinc/54/51/27/553545127.db2.gz NUPOLUOZQWZYTR-CUDYFHFOSA-N 1 1 512.433 6.439 50 10 KKCAMO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000017241717 553590891 /nfs/dbraw/zinc/59/08/91/553590891.db2.gz FRMFSZJHVBUNHA-CWTKIQHKSA-N 1 1 521.745 8.464 50 10 KKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1Br ZINC000019809066 553618127 /nfs/dbraw/zinc/61/81/27/553618127.db2.gz OMVQIKISFMGOJI-CLCOLTQESA-N 1 1 518.480 5.827 50 10 KKCAMO CCOC(=O)c1c(COc2cccc(C(F)(F)F)c2)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393667 553679656 /nfs/dbraw/zinc/67/96/56/553679656.db2.gz XZEVNPASPWQQPN-UHFFFAOYSA-N 1 1 527.543 5.782 50 10 KKCAMO CCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OCC)cc3)ccc21 ZINC000020730969 553691823 /nfs/dbraw/zinc/69/18/23/553691823.db2.gz ASUPJTJKULXMMH-UHFFFAOYSA-N 1 1 510.748 5.169 50 10 KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698851 553991906 /nfs/dbraw/zinc/99/19/06/553991906.db2.gz HSIWFKABJMHFHI-VIZCGCQYSA-N 1 1 500.658 6.530 50 10 KKCAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699167 553992317 /nfs/dbraw/zinc/99/23/17/553992317.db2.gz LEHRNBWLPFTONZ-ZEQKJWHPSA-N 1 1 514.563 6.317 50 10 KKCAMO Cc1cc([C@H](C)c2ccccc2)c(O)c(C[NH+]2CCN(Cc3c(C)c(C)cc([C@@H](C)c4ccccc4)c3O)CC2)c1C ZINC000098005900 554059247 /nfs/dbraw/zinc/05/92/47/554059247.db2.gz JRWAYNHZXPGVGA-RNPORBBMSA-N 1 1 562.798 7.953 50 10 KKCAMO COc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000098047136 554147106 /nfs/dbraw/zinc/14/71/06/554147106.db2.gz SVYZBUPQXBFNPM-UHFFFAOYSA-N 1 1 529.566 6.442 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(NC1CCCCC1)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101431532 554770541 /nfs/dbraw/zinc/77/05/41/554770541.db2.gz KDSWBPPYFCXERZ-UHFFFAOYSA-N 1 1 557.094 6.638 50 10 KKCAMO Cc1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(-c2ccccc2)n1-c1ccc2c(c1)OCO2 ZINC000103193907 555334265 /nfs/dbraw/zinc/33/42/65/555334265.db2.gz KQJGFQHLAFPYON-UHFFFAOYSA-N 1 1 555.678 6.729 50 10 KKCAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)n2-c2ccccc2)c1 ZINC000103224237 555341461 /nfs/dbraw/zinc/34/14/61/555341461.db2.gz IQCQMCJPPGCRJP-UHFFFAOYSA-N 1 1 541.695 7.009 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000230155374 572184381 /nfs/dbraw/zinc/18/43/81/572184381.db2.gz NLBVZZROUGAGQX-QPQHGXMVSA-N 1 1 527.728 6.891 50 10 KKCAMO COCCC[N@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731467 1069833820 /nfs/dbraw/zinc/83/38/20/1069833820.db2.gz ZEJLFAVILJAFJO-WXVAWEFUSA-N 1 1 525.089 5.922 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731467 1069833846 /nfs/dbraw/zinc/83/38/46/1069833846.db2.gz ZEJLFAVILJAFJO-WXVAWEFUSA-N 1 1 525.089 5.922 50 10 KKCAMO COCCC[NH+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731467 1069833866 /nfs/dbraw/zinc/83/38/66/1069833866.db2.gz ZEJLFAVILJAFJO-WXVAWEFUSA-N 1 1 525.089 5.922 50 10 KKCAMO CN(C)c1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000002915177 552216302 /nfs/dbraw/zinc/21/63/02/552216302.db2.gz SVIMQBZYCZJVES-DQEYMECFSA-N 1 1 500.400 5.319 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3c(C)cc(C)cc3C)ccc21 ZINC000020730879 553691803 /nfs/dbraw/zinc/69/18/03/553691803.db2.gz CULKRCPFGFZOQI-UHFFFAOYSA-N 1 1 522.803 6.086 50 10 KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698817 553991474 /nfs/dbraw/zinc/99/14/74/553991474.db2.gz NLBVZZROUGAGQX-YDYNHKSESA-N 1 1 527.728 6.891 50 10 KKCAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699166 553992256 /nfs/dbraw/zinc/99/22/56/553992256.db2.gz LEHRNBWLPFTONZ-JYFHCDHNSA-N 1 1 514.563 6.317 50 10 KKCAMO COc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC000102663495 555001264 /nfs/dbraw/zinc/00/12/64/555001264.db2.gz MLYGPPXWVSMZID-LITSAYRRSA-N 1 1 554.653 6.742 50 10 KKCAMO COCCC[N@H+](Cc1c([O-])ccc2cc(-c3ccc(OC)cc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729177 1069826076 /nfs/dbraw/zinc/82/60/76/1069826076.db2.gz HFUAJEGNPHFTCI-RBJSKKJNSA-N 1 1 520.670 5.277 50 10 KKCAMO COCCC[NH+](Cc1c([O-])ccc2cc(-c3ccc(OC)cc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729177 1069826095 /nfs/dbraw/zinc/82/60/95/1069826095.db2.gz HFUAJEGNPHFTCI-RBJSKKJNSA-N 1 1 520.670 5.277 50 10 KKCAMO COCCC[NH+](Cc1c([O-])ccc2cc(-c3ccc(OC)cc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729177 1069826120 /nfs/dbraw/zinc/82/61/20/1069826120.db2.gz HFUAJEGNPHFTCI-RBJSKKJNSA-N 1 1 520.670 5.277 50 10 KKCAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(N(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000638143 551506692 /nfs/dbraw/zinc/50/66/92/551506692.db2.gz NRPQAMCDEXJYMR-SXOMAYOGSA-N 1 1 516.001 5.227 50 10 KKCAMO COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000015947356 553545356 /nfs/dbraw/zinc/54/53/56/553545356.db2.gz SCEJAWMXGVMTJH-OAQYLSRUSA-N 1 1 500.418 5.212 50 10 KKCAMO COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000015947356 553545357 /nfs/dbraw/zinc/54/53/57/553545357.db2.gz SCEJAWMXGVMTJH-OAQYLSRUSA-N 1 1 500.418 5.212 50 10 KKCAMO Cc1c(CN(C)CC[N@@H+](C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)cc1C(C)(C)C ZINC000020247024 553628877 /nfs/dbraw/zinc/62/88/77/553628877.db2.gz RCASTSOEBPOFOS-UHFFFAOYSA-N 1 1 522.862 8.454 50 10 KKCAMO Cc1c(C[N@@H+](C)CCN(C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)cc1C(C)(C)C ZINC000020247024 553628879 /nfs/dbraw/zinc/62/88/79/553628879.db2.gz RCASTSOEBPOFOS-UHFFFAOYSA-N 1 1 522.862 8.454 50 10 KKCAMO Cc1c(C[N@H+](C)CCN(C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)cc1C(C)(C)C ZINC000020247024 553628882 /nfs/dbraw/zinc/62/88/82/553628882.db2.gz RCASTSOEBPOFOS-UHFFFAOYSA-N 1 1 522.862 8.454 50 10 KKCAMO CCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000020731028 553691842 /nfs/dbraw/zinc/69/18/42/553691842.db2.gz SPQSKMYHXVDLAW-UHFFFAOYSA-N 1 1 519.517 5.912 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)cc3)ccc21 ZINC000020730840 553691870 /nfs/dbraw/zinc/69/18/70/553691870.db2.gz KVNNPFBMYHUTDO-UHFFFAOYSA-N 1 1 510.748 5.169 50 10 KKCAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccccc4O)CC3)n2)cc1 ZINC000035927812 554101149 /nfs/dbraw/zinc/10/11/49/554101149.db2.gz SPDBMDSDUXLOBX-UHFFFAOYSA-N 1 1 504.638 5.133 50 10 KKCAMO CC(C)Nc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000063490356 554509620 /nfs/dbraw/zinc/50/96/20/554509620.db2.gz VWRNYIKDFVSKEH-UHFFFAOYSA-N 1 1 517.029 5.714 50 10 KKCAMO CCOc1ccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000101217915 554685002 /nfs/dbraw/zinc/68/50/02/554685002.db2.gz HQUPQBJPBQXLTA-UHFFFAOYSA-N 1 1 595.099 7.036 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000217664826 571602313 /nfs/dbraw/zinc/60/23/13/571602313.db2.gz VSECMWWPNZFSJB-QLCOJLISSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000217664826 571602314 /nfs/dbraw/zinc/60/23/14/571602314.db2.gz VSECMWWPNZFSJB-QLCOJLISSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248137398 572255147 /nfs/dbraw/zinc/25/51/47/572255147.db2.gz NTUINQMCJJQGSP-RUZDIDTESA-N 1 1 558.126 5.307 50 10 KKCAMO COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000055154832 1072900053 /nfs/dbraw/zinc/90/00/53/1072900053.db2.gz PLZOHLFAFHBORW-OAQYLSRUSA-N 1 1 508.684 5.553 50 10 KKCAMO COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000055154832 1072900064 /nfs/dbraw/zinc/90/00/64/1072900064.db2.gz PLZOHLFAFHBORW-OAQYLSRUSA-N 1 1 508.684 5.553 50 10 KKCAMO CCOc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000015947350 553545347 /nfs/dbraw/zinc/54/53/47/553545347.db2.gz PGCYLNACKHOBPD-QFIPXVFZSA-N 1 1 514.445 5.602 50 10 KKCAMO CCOc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000015947350 553545348 /nfs/dbraw/zinc/54/53/48/553545348.db2.gz PGCYLNACKHOBPD-QFIPXVFZSA-N 1 1 514.445 5.602 50 10 KKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000019798699 553617132 /nfs/dbraw/zinc/61/71/32/553617132.db2.gz ACTNARJXLOSNML-ULJHMMPZSA-N 1 1 508.474 6.371 50 10 KKCAMO Cc1cc(C[NH+]2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c([O-])c(C[N@@H+]2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC000101149578 554657048 /nfs/dbraw/zinc/65/70/48/554657048.db2.gz NEOVWBNAXIBNRT-ZAQUEYBZSA-N 1 1 638.852 7.502 50 10 KKCAMO Cc1cc(C[NH+]2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c([O-])c(C[N@H+]2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC000101149578 554657050 /nfs/dbraw/zinc/65/70/50/554657050.db2.gz NEOVWBNAXIBNRT-ZAQUEYBZSA-N 1 1 638.852 7.502 50 10 KKCAMO COC(=O)c1ccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000101217944 554685100 /nfs/dbraw/zinc/68/51/00/554685100.db2.gz IRCJUGFIVWXTGP-UHFFFAOYSA-N 1 1 609.082 6.424 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000103019013 555210702 /nfs/dbraw/zinc/21/07/02/555210702.db2.gz VSECMWWPNZFSJB-MWVDVNALSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(CN2C(=O)[C@]3(SC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000103019013 555210706 /nfs/dbraw/zinc/21/07/06/555210706.db2.gz VSECMWWPNZFSJB-MWVDVNALSA-N 1 1 550.105 5.025 50 10 KKCAMO COc1ccc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC000105042616 571390392 /nfs/dbraw/zinc/39/03/92/571390392.db2.gz MLYGPPXWVSMZID-WNJJXGMVSA-N 1 1 554.653 6.742 50 10 KKCAMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[NH+](C)[C@H]4CC(C)C)c1O)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000245239408 572213087 /nfs/dbraw/zinc/21/30/87/572213087.db2.gz IPLGVBFSYLBXEF-VXKWHMMOSA-N 1 1 512.691 6.058 50 10 KKCAMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@H]4CC(C)C)c1O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000245239408 572213091 /nfs/dbraw/zinc/21/30/91/572213091.db2.gz IPLGVBFSYLBXEF-VXKWHMMOSA-N 1 1 512.691 6.058 50 10 KKCAMO COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@H]4CC(C)C)c1O)[C@H](CC(C)C)[NH+](C)CC2 ZINC000245239408 572213095 /nfs/dbraw/zinc/21/30/95/572213095.db2.gz IPLGVBFSYLBXEF-VXKWHMMOSA-N 1 1 512.691 6.058 50 10 KKCAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245343220 572237749 /nfs/dbraw/zinc/23/77/49/572237749.db2.gz IPCRSQAZPRDKIM-YZNIXAGQSA-N 1 1 555.660 6.925 50 10 KKCAMO CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000251619849 572259527 /nfs/dbraw/zinc/25/95/27/572259527.db2.gz DYXAVASMACJLPD-DHIUTWEWSA-N 1 1 504.671 6.400 50 10 KKCAMO COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000055154834 1072899834 /nfs/dbraw/zinc/89/98/34/1072899834.db2.gz PLZOHLFAFHBORW-NRFANRHFSA-N 1 1 508.684 5.553 50 10 KKCAMO COc1ccc(O)c(CN2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000055154834 1072899842 /nfs/dbraw/zinc/89/98/42/1072899842.db2.gz PLZOHLFAFHBORW-NRFANRHFSA-N 1 1 508.684 5.553 50 10 KKCAMO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015946324 553544448 /nfs/dbraw/zinc/54/44/48/553544448.db2.gz AATCCSJFDMHGLJ-INIZCTEOSA-N 1 1 501.244 5.174 50 10 KKCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015946324 553544450 /nfs/dbraw/zinc/54/44/50/553544450.db2.gz AATCCSJFDMHGLJ-INIZCTEOSA-N 1 1 501.244 5.174 50 10 KKCAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccc(F)cc3)c(=O)cc1[C@@H]([N@@H+](C)Cc1ccccc1O)CC2 ZINC000070670209 553600978 /nfs/dbraw/zinc/60/09/78/553600978.db2.gz FWQHBCFALBURAG-LJAQVGFWSA-N 1 1 584.688 6.358 50 10 biogenic KKCAMO CC[NH+](CC)c1ccc(NC=C2C(=O)N(c3ccccc3OC)C(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000097951112 553807244 /nfs/dbraw/zinc/80/72/44/553807244.db2.gz NBKOKZLLCMMNCK-UHFFFAOYSA-N 1 1 530.650 5.211 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(Nc1cccc(F)c1)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101217902 554685006 /nfs/dbraw/zinc/68/50/06/554685006.db2.gz QMNMMYLZSVJTSW-UHFFFAOYSA-N 1 1 569.036 6.776 50 10 KKCAMO Cc1ccc(C)c(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000101434995 554772064 /nfs/dbraw/zinc/77/20/64/554772064.db2.gz HFSFVKTXJUZVCH-UHFFFAOYSA-N 1 1 579.100 7.254 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248073840 572253107 /nfs/dbraw/zinc/25/31/07/572253107.db2.gz HSIWFKABJMHFHI-FREGXXQWSA-N 1 1 500.658 6.530 50 10 KKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+](CCCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730553 1069830707 /nfs/dbraw/zinc/83/07/07/1069830707.db2.gz NDSOYYWKCKOYEC-SQJMNOBHSA-N 1 1 505.099 5.598 50 10 KKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+](CCCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730553 1069830742 /nfs/dbraw/zinc/83/07/42/1069830742.db2.gz NDSOYYWKCKOYEC-SQJMNOBHSA-N 1 1 505.099 5.598 50 10 KKCAMO CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+](CCCOC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730553 1069830770 /nfs/dbraw/zinc/83/07/70/1069830770.db2.gz NDSOYYWKCKOYEC-SQJMNOBHSA-N 1 1 505.099 5.598 50 10 KKCAMO COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@H]3CCOC3)C2)c1 ZINC000064045044 1071267054 /nfs/dbraw/zinc/26/70/54/1071267054.db2.gz LONMATFBQYRVEY-QHCPKHFHSA-N 1 1 503.620 5.845 50 10 KKCAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(N(C)C)cc2)N2NC=NC2=[NH+]3)cc1OC ZINC000000638145 551506708 /nfs/dbraw/zinc/50/67/08/551506708.db2.gz NRPQAMCDEXJYMR-RRPNLBNLSA-N 1 1 516.001 5.227 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cc(C)cc(C)c3)ccc21 ZINC000020730884 553691830 /nfs/dbraw/zinc/69/18/30/553691830.db2.gz ZULFOCWSNBLZRO-UHFFFAOYSA-N 1 1 508.776 5.777 50 10 KKCAMO CCCC/N=c1\ccc2c(cc1O)[C@@H]([N@@H+](C)Cc1ccccc1O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000025073411 553792785 /nfs/dbraw/zinc/79/27/85/553792785.db2.gz XRBZZHNXVCAUGZ-VWLOTQADSA-N 1 1 518.654 5.611 50 10 biogenic KKCAMO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2)[C@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000036030374 554143062 /nfs/dbraw/zinc/14/30/62/554143062.db2.gz FRMFSZJHVBUNHA-ZFEZZJPFSA-N 1 1 521.745 8.464 50 10 KKCAMO CN(C)c1ccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254729 554330451 /nfs/dbraw/zinc/33/04/51/554330451.db2.gz GSXPYJNOHSQBJB-UHFFFAOYSA-N 1 1 594.115 6.703 50 10 KKCAMO COCCC[N@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730738 1069831338 /nfs/dbraw/zinc/83/13/38/1069831338.db2.gz VQQKTHAQJRMBKX-ABYGYWHVSA-N 1 1 518.698 5.501 50 10 KKCAMO COCCC[NH+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730738 1069831362 /nfs/dbraw/zinc/83/13/62/1069831362.db2.gz VQQKTHAQJRMBKX-ABYGYWHVSA-N 1 1 518.698 5.501 50 10 KKCAMO COCCC[NH+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730738 1069831389 /nfs/dbraw/zinc/83/13/89/1069831389.db2.gz VQQKTHAQJRMBKX-ABYGYWHVSA-N 1 1 518.698 5.501 50 10 KKCAMO CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)OCC)CC1)c(O)c1ccccc21 ZINC000002667845 552151987 /nfs/dbraw/zinc/15/19/87/552151987.db2.gz WGSDICMILORQNB-MHZLTWQESA-N 1 1 584.496 7.448 50 10 KKCAMO O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000003396968 552380095 /nfs/dbraw/zinc/38/00/95/552380095.db2.gz SOBBATZAGZJSSS-UHFFFAOYSA-N 1 1 530.271 5.121 50 10 KKCAMO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](C2=CC(=NNc4cccc(Br)c4)C=CC2=O)N3)C1 ZINC000015947248 553545130 /nfs/dbraw/zinc/54/51/30/553545130.db2.gz NUPOLUOZQWZYTR-ILOQVAKNSA-N 1 1 512.433 6.439 50 10 KKCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](C2=CC(=NNc4cccc(Br)c4)C=CC2=O)N3)C1 ZINC000015947248 553545132 /nfs/dbraw/zinc/54/51/32/553545132.db2.gz NUPOLUOZQWZYTR-ILOQVAKNSA-N 1 1 512.433 6.439 50 10 KKCAMO C[C@H](O)c1cccc(/N=N/c2ccc(NCC[NH+]3CCC(CCN4CCOCC4)CC3)c3ccccc23)c1 ZINC000071767099 553636472 /nfs/dbraw/zinc/63/64/72/553636472.db2.gz WTCQBOHXXPGESO-KKBKIUAUSA-N 1 1 515.702 6.155 50 10 KKCAMO CCOC(=O)c1c(COc2ccc(F)cc2Cl)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393700 553679649 /nfs/dbraw/zinc/67/96/49/553679649.db2.gz NVTVSMORDVWBIC-UHFFFAOYSA-N 1 1 511.981 5.556 50 10 KKCAMO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000023486682 553787326 /nfs/dbraw/zinc/78/73/26/553787326.db2.gz LYEFDABMFLRXQB-UHFFFAOYSA-N 1 1 518.479 5.090 50 10 KKCAMO O=C(c1ccco1)N1CCN(c2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000029749480 553852235 /nfs/dbraw/zinc/85/22/35/553852235.db2.gz UJAMDPXDWPOONF-UHFFFAOYSA-N 1 1 638.124 5.449 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698850 553991823 /nfs/dbraw/zinc/99/18/23/553991823.db2.gz HSIWFKABJMHFHI-PDDLMNHVSA-N 1 1 500.658 6.530 50 10 KKCAMO COc1ccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000053254727 554330412 /nfs/dbraw/zinc/33/04/12/554330412.db2.gz OGVAKPPEZABKIY-UHFFFAOYSA-N 1 1 581.072 6.646 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C(=O)OCC)cc3)ccc21 ZINC000101634752 554812651 /nfs/dbraw/zinc/81/26/51/554812651.db2.gz COFNHANAIQMHGS-UHFFFAOYSA-N 1 1 552.785 5.337 50 10 KKCAMO COC(=O)CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102712758 555017299 /nfs/dbraw/zinc/01/72/99/555017299.db2.gz CESIGJNZFMDTNX-NEKDWFFYSA-N 1 1 555.641 5.530 50 10 KKCAMO [NH3+]CCCNc1ccc2c3c(nn2CCN(CCO)Cc2ccccc2)-c2c(OCc4ccccc4)ccc(OCc4ccccc4)c2C(=O)c31 ZINC000150664258 571528618 /nfs/dbraw/zinc/52/86/18/571528618.db2.gz RRBNQSVDKBWIHM-UHFFFAOYSA-N 1 1 681.837 6.661 50 10 KKCAMO COCC[N@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731465 1069834275 /nfs/dbraw/zinc/83/42/75/1069834275.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 1 1 511.062 5.532 50 10 KKCAMO COCC[NH+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731465 1069834307 /nfs/dbraw/zinc/83/43/07/1069834307.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 1 1 511.062 5.532 50 10 KKCAMO COCC[NH+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731465 1069834337 /nfs/dbraw/zinc/83/43/37/1069834337.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 1 1 511.062 5.532 50 10 KKCAMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[N@@H+](Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257178579 1070974006 /nfs/dbraw/zinc/97/40/06/1070974006.db2.gz BXBYLPLPJOCJAZ-WJOKGBTCSA-N 1 1 535.692 5.085 50 10 KKCAMO CN(C)c1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002915181 552216272 /nfs/dbraw/zinc/21/62/72/552216272.db2.gz SVIMQBZYCZJVES-LOSJGSFVSA-N 1 1 500.400 5.319 50 10 KKCAMO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015946326 553544409 /nfs/dbraw/zinc/54/44/09/553544409.db2.gz AATCCSJFDMHGLJ-MRXNPFEDSA-N 1 1 501.244 5.174 50 10 KKCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000015946326 553544411 /nfs/dbraw/zinc/54/44/11/553544411.db2.gz AATCCSJFDMHGLJ-MRXNPFEDSA-N 1 1 501.244 5.174 50 10 KKCAMO CC(C)(C)c1cc(C[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1 ZINC000017241721 553590992 /nfs/dbraw/zinc/59/09/92/553590992.db2.gz FRMFSZJHVBUNHA-TWJUONSBSA-N 1 1 521.745 8.464 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OCC)cc3)ccc21 ZINC000020731570 553692165 /nfs/dbraw/zinc/69/21/65/553692165.db2.gz DBJNXTQZBDCTKN-UHFFFAOYSA-N 1 1 524.775 5.559 50 10 KKCAMO O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000097968867 553934925 /nfs/dbraw/zinc/93/49/25/553934925.db2.gz XGPWDIUPGKOQMV-QLTSDVKISA-N 1 1 545.708 6.643 50 10 KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698859 553992086 /nfs/dbraw/zinc/99/20/86/553992086.db2.gz QYHZWLNQVIHIEP-CPBHLAHYSA-N 1 1 509.738 6.752 50 10 KKCAMO CCOc1ccc(-c2c3c(c4ccccc4c(O)c3C[NH+]3CCOCC3)n3c2-c2cc(OCC)c(OCC)cc2CC3)cc1OCC ZINC000102459763 554934994 /nfs/dbraw/zinc/93/49/94/554934994.db2.gz FKONREZOELTNDU-UHFFFAOYSA-N 1 1 636.789 7.817 50 10 KKCAMO Cc1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(-c2ccc(Cl)cc2)n1-c1cccc(F)c1 ZINC000103237140 555342298 /nfs/dbraw/zinc/34/22/98/555342298.db2.gz DUPWQSYTAWPJCY-UHFFFAOYSA-N 1 1 564.104 7.793 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248134996 572254963 /nfs/dbraw/zinc/25/49/63/572254963.db2.gz MOOUIGFQQBJAOV-HSZRJFAPSA-N 1 1 588.550 5.357 50 10 KKCAMO CCOc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000015947352 553545312 /nfs/dbraw/zinc/54/53/12/553545312.db2.gz PGCYLNACKHOBPD-JOCHJYFZSA-N 1 1 514.445 5.602 50 10 KKCAMO CCOc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000015947352 553545313 /nfs/dbraw/zinc/54/53/13/553545313.db2.gz PGCYLNACKHOBPD-JOCHJYFZSA-N 1 1 514.445 5.602 50 10 KKCAMO CCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000020730498 553691451 /nfs/dbraw/zinc/69/14/51/553691451.db2.gz QDMFETNTGMTUKA-UHFFFAOYSA-N 1 1 531.166 5.433 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3CC)ccc21 ZINC000020731819 553692153 /nfs/dbraw/zinc/69/21/53/553692153.db2.gz AQWQLYXCWDSDRL-UHFFFAOYSA-N 1 1 508.776 5.723 50 10 KKCAMO Oc1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000021486945 553709919 /nfs/dbraw/zinc/70/99/19/553709919.db2.gz RURRBFRAODPVNC-VWLOTQADSA-N 1 1 515.938 6.663 50 10 KKCAMO CC[NH+](CC)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1 ZINC000035168336 554040410 /nfs/dbraw/zinc/04/04/10/554040410.db2.gz VSBPZZZXDFFXPF-QHCPKHFHSA-N 1 1 513.479 7.666 50 10 KKCAMO COc1cccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000053254725 554330429 /nfs/dbraw/zinc/33/04/29/554330429.db2.gz CSUIJQQBPPSDRJ-UHFFFAOYSA-N 1 1 581.072 6.646 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCCO2)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101217929 554685028 /nfs/dbraw/zinc/68/50/28/554685028.db2.gz AUFWWEGYCTYSFK-UHFFFAOYSA-N 1 1 609.082 6.408 50 10 KKCAMO COc1ccc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c(O)c1 ZINC000102663497 555001231 /nfs/dbraw/zinc/00/12/31/555001231.db2.gz MLYGPPXWVSMZID-GGXMVOPNSA-N 1 1 554.653 6.742 50 10 KKCAMO CCCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000102767205 555055565 /nfs/dbraw/zinc/05/55/65/555055565.db2.gz FCIQLZUSQBXMMW-UHFFFAOYSA-N 1 1 548.719 6.179 50 10 KKCAMO COc1ccc(-c2coc3c(C[N@H+]4CCC[C@@H](C)C4)c([O-])c(C[NH+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000102811422 555075080 /nfs/dbraw/zinc/07/50/80/555075080.db2.gz IYQRVYVIOCGQIP-VQTJNVASSA-N 1 1 506.643 5.344 50 10 biogenic KKCAMO COc1ccc(-c2coc3c(C[NH+]4CCC[C@@H](C)C4)c([O-])c(C[N@@H+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000102811422 555075081 /nfs/dbraw/zinc/07/50/81/555075081.db2.gz IYQRVYVIOCGQIP-VQTJNVASSA-N 1 1 506.643 5.344 50 10 biogenic KKCAMO COc1ccc(-c2coc3c(C[NH+]4CCC[C@@H](C)C4)c([O-])c(C[N@H+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000102811422 555075082 /nfs/dbraw/zinc/07/50/82/555075082.db2.gz IYQRVYVIOCGQIP-VQTJNVASSA-N 1 1 506.643 5.344 50 10 biogenic KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000245329134 572235563 /nfs/dbraw/zinc/23/55/63/572235563.db2.gz QYHZWLNQVIHIEP-ZQAZVOLISA-N 1 1 509.738 6.752 50 10 KKCAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245343219 572237699 /nfs/dbraw/zinc/23/76/99/572237699.db2.gz IPCRSQAZPRDKIM-VIZCGCQYSA-N 1 1 555.660 6.925 50 10 KKCAMO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248127093 572254535 /nfs/dbraw/zinc/25/45/35/572254535.db2.gz IHROTGCIXZFFKE-HSZRJFAPSA-N 1 1 588.550 5.357 50 10 KKCAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248155259 572256017 /nfs/dbraw/zinc/25/60/17/572256017.db2.gz YVSLMKMPIDMTMM-DHIFEGFHSA-N 1 1 517.689 5.914 50 10 KKCAMO COCC[N@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729687 1069824861 /nfs/dbraw/zinc/82/48/61/1069824861.db2.gz FBTWTQGHBJQKBD-NEKDWFFYSA-N 1 1 539.116 5.764 50 10 KKCAMO COCC[NH+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729687 1069824875 /nfs/dbraw/zinc/82/48/75/1069824875.db2.gz FBTWTQGHBJQKBD-NEKDWFFYSA-N 1 1 539.116 5.764 50 10 KKCAMO COCC[N@H+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729818 1069829511 /nfs/dbraw/zinc/82/95/11/1069829511.db2.gz KJMLANPYRLEICF-ABYGYWHVSA-N 1 1 518.698 5.419 50 10 KKCAMO COCC[NH+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729818 1069829542 /nfs/dbraw/zinc/82/95/42/1069829542.db2.gz KJMLANPYRLEICF-ABYGYWHVSA-N 1 1 518.698 5.419 50 10 KKCAMO COCC[N@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731808 1069834694 /nfs/dbraw/zinc/83/46/94/1069834694.db2.gz KYAGWBTWNCTHTG-LBNVMWSVSA-N 1 1 518.698 5.419 50 10 KKCAMO COCC[NH+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731808 1069834713 /nfs/dbraw/zinc/83/47/13/1069834713.db2.gz KYAGWBTWNCTHTG-LBNVMWSVSA-N 1 1 518.698 5.419 50 10 KKCAMO COCC[NH+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731808 1069834739 /nfs/dbraw/zinc/83/47/39/1069834739.db2.gz KYAGWBTWNCTHTG-LBNVMWSVSA-N 1 1 518.698 5.419 50 10 KKCAMO CC[NH+](CC)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1 ZINC000002512766 552126747 /nfs/dbraw/zinc/12/67/47/552126747.db2.gz VSBPZZZXDFFXPF-HSZRJFAPSA-N 1 1 513.479 7.666 50 10 KKCAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000009531247 553277738 /nfs/dbraw/zinc/27/77/38/553277738.db2.gz PDBPWNXKXMZBQE-UHFFFAOYSA-N 1 1 505.622 5.821 50 10 KKCAMO CCCN1CCCc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3c(C)cc(C)cc3C)ccc21 ZINC000020731004 553691872 /nfs/dbraw/zinc/69/18/72/553691872.db2.gz BHDNSLVNLPPCBN-UHFFFAOYSA-N 1 1 508.776 5.696 50 10 KKCAMO O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc2c(c1)OCO2)cc3N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000033357141 553946830 /nfs/dbraw/zinc/94/68/30/553946830.db2.gz MXDJDFQBOZRGJA-UHFFFAOYSA-N 1 1 595.055 6.366 50 10 KKCAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000034698909 553991978 /nfs/dbraw/zinc/99/19/78/553991978.db2.gz YVSLMKMPIDMTMM-DLFZDVPBSA-N 1 1 517.689 5.914 50 10 KKCAMO Cc1cc(C[NH+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c([O-])c(C[N@@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC000101149254 554657097 /nfs/dbraw/zinc/65/70/97/554657097.db2.gz NEOVWBNAXIBNRT-XRSDMRJBSA-N 1 1 638.852 7.502 50 10 KKCAMO Cc1cc(C[NH+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c([O-])c(C[N@H+]2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC000101149254 554657098 /nfs/dbraw/zinc/65/70/98/554657098.db2.gz NEOVWBNAXIBNRT-XRSDMRJBSA-N 1 1 638.852 7.502 50 10 KKCAMO CCOC(=O)c1cccc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000101217896 554685054 /nfs/dbraw/zinc/68/50/54/554685054.db2.gz PYFDVYOHVBPCNN-UHFFFAOYSA-N 1 1 623.109 6.814 50 10 KKCAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041706 571390161 /nfs/dbraw/zinc/39/01/61/571390161.db2.gz HSIWFKABJMHFHI-YZNIXAGQSA-N 1 1 500.658 6.530 50 10 KKCAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000105041714 571390235 /nfs/dbraw/zinc/39/02/35/571390235.db2.gz QYHZWLNQVIHIEP-RYCFQHDISA-N 1 1 509.738 6.752 50 10 KKCAMO COc1cc(Nc2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc(OC)c1OC ZINC000150418612 571486709 /nfs/dbraw/zinc/48/67/09/571486709.db2.gz CECITXSEISUPAS-UHFFFAOYSA-N 1 1 641.124 6.663 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@H](OCC[NH+]1CCN([C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632817 571529485 /nfs/dbraw/zinc/52/94/85/571529485.db2.gz RTLRVSHZJUJWRW-MPQUPPDSSA-N 1 1 670.935 10.043 50 10 KKCAMO CC(C)c1ccc2c(c1)[C@@H](OCC[NH+]1CCN([C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153633036 571529545 /nfs/dbraw/zinc/52/95/45/571529545.db2.gz RTLRVSHZJUJWRW-ZPGRZCPFSA-N 1 1 670.935 10.043 50 10 KKCAMO COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1 ZINC000248150656 572255638 /nfs/dbraw/zinc/25/56/38/572255638.db2.gz VOWGWOQQAQKREU-UHFFFAOYSA-N 1 1 588.550 5.357 50 10 KKCAMO CCN1c2ccccc2S/C1=C\C=C1\CCCC(/C=C/c2sc3ccccc3[n+]2CC)=C1N1CCCCC1 ZINC000685944769 1070946172 /nfs/dbraw/zinc/94/61/72/1070946172.db2.gz WCZQHWAWUCPWDX-UHFFFAOYSA-N 1 1 540.822 8.546 50 10 KKCAMO COc1ccc(CN2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)c(O)c1 ZINC000067714333 1072900457 /nfs/dbraw/zinc/90/04/57/1072900457.db2.gz LRFRGSMUTDNFCN-NRFANRHFSA-N 1 1 523.073 5.836 50 10 KKCAMO COc1ccc(CN2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)c(O)c1 ZINC000067714333 1072900463 /nfs/dbraw/zinc/90/04/63/1072900463.db2.gz LRFRGSMUTDNFCN-NRFANRHFSA-N 1 1 523.073 5.836 50 10 KKCAMO CCOc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc(Cl)c1OCc1ccccc1 ZINC000009601830 553287001 /nfs/dbraw/zinc/28/70/01/553287001.db2.gz PIUTYAGHINCVIT-NDEPHWFRSA-N 1 1 526.036 7.476 50 10 KKCAMO CCOC(=O)c1c(COc2cccc3ccccc32)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000085393682 553679664 /nfs/dbraw/zinc/67/96/64/553679664.db2.gz SUUVKJHUBIEULJ-UHFFFAOYSA-N 1 1 509.606 5.916 50 10 KKCAMO Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000021486946 553709872 /nfs/dbraw/zinc/70/98/72/553709872.db2.gz RURRBFRAODPVNC-RUZDIDTESA-N 1 1 515.938 6.663 50 10 KKCAMO CC1CCN(c2cc(N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000033356523 553942339 /nfs/dbraw/zinc/94/23/39/553942339.db2.gz UYTYLRLJVHDWER-UHFFFAOYSA-N 1 1 557.094 6.130 50 10 KKCAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105042085 571390231 /nfs/dbraw/zinc/39/02/31/571390231.db2.gz YVSLMKMPIDMTMM-JOMNFKBKSA-N 1 1 517.689 5.914 50 10 KKCAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247992872 572251492 /nfs/dbraw/zinc/25/14/92/572251492.db2.gz LEHRNBWLPFTONZ-BVAGGSTKSA-N 1 1 514.563 6.317 50 10 KKCAMO