smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000005010319 539399427 /nfs/dbraw/zinc/39/94/27/539399427.db2.gz GVOZKRLLOJPRDA-CVEARBPZSA-N 1 1 370.449 2.493 50 0 FEAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccncc3)CC2)cc1 ZINC000009069335 539498061 /nfs/dbraw/zinc/49/80/61/539498061.db2.gz RRIVAGYCHIMMFL-UHFFFAOYSA-N 1 1 366.465 2.357 50 0 FEAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)C1 ZINC000011817569 539535975 /nfs/dbraw/zinc/53/59/75/539535975.db2.gz WJAJYVJZCQABTF-AWEZNQCLSA-N 1 1 373.457 2.193 50 0 FEAAMO O=C(Cn1nc(Cl)ccc1=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000011843707 539537680 /nfs/dbraw/zinc/53/76/80/539537680.db2.gz SSBKTFVDDZMSDE-OAHLLOKOSA-N 1 1 366.893 2.058 50 0 FEAAMO O=C(Nc1ccc2c(c1)C[N@H+](CCCn1cccn1)CC2)[C@@H]1CCCO1 ZINC000012300314 539553221 /nfs/dbraw/zinc/55/32/21/539553221.db2.gz DEMTVAXXRFPLIW-IBGZPJMESA-N 1 1 354.454 2.449 50 0 FEAAMO CCOC(=O)c1n[nH]cc1C[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000012442118 539560024 /nfs/dbraw/zinc/56/00/24/539560024.db2.gz FJMXBLALWJDTPS-UHFFFAOYSA-N 1 1 362.474 2.201 50 0 FEAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014539689 539603824 /nfs/dbraw/zinc/60/38/24/539603824.db2.gz LOWUTPBRJNYKGV-NHCUHLMSSA-N 1 1 373.541 2.229 50 0 FEAAMO Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCCn1ccnc1)C[C@@H](C)O2 ZINC000014995057 539609138 /nfs/dbraw/zinc/60/91/38/539609138.db2.gz QYCKLEBBBSZSIQ-QGZVFWFLSA-N 1 1 356.470 2.371 50 0 FEAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000015068857 539610873 /nfs/dbraw/zinc/61/08/73/539610873.db2.gz DGJSHTJGAAKHQA-HNNXBMFYSA-N 1 1 373.472 2.421 50 0 FEAAMO CCOc1cc(C[N@H+](CC(=O)NC(=O)NC)C2CC2)ccc1OC(F)F ZINC000016419387 539631724 /nfs/dbraw/zinc/63/17/24/539631724.db2.gz KCUHKGYXBFQAAW-UHFFFAOYSA-N 1 1 371.384 2.107 50 0 FEAAMO CCOc1cc(C[N@@H+](CC(=O)NC(=O)NC)C2CC2)ccc1OC(F)F ZINC000016419387 539631731 /nfs/dbraw/zinc/63/17/31/539631731.db2.gz KCUHKGYXBFQAAW-UHFFFAOYSA-N 1 1 371.384 2.107 50 0 FEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000021059217 539679986 /nfs/dbraw/zinc/67/99/86/539679986.db2.gz AMCUGEANMNXYQB-GASCZTMLSA-N 1 1 358.486 2.500 50 0 FEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)O1 ZINC000021059217 539679988 /nfs/dbraw/zinc/67/99/88/539679988.db2.gz AMCUGEANMNXYQB-GASCZTMLSA-N 1 1 358.486 2.500 50 0 FEAAMO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)sc2n1 ZINC000024988098 539745711 /nfs/dbraw/zinc/74/57/11/539745711.db2.gz HVLSTJUUTHJRJC-ZDUSSCGKSA-N 1 1 366.450 2.496 50 0 FEAAMO COc1cccc(OCc2ccc(C(=O)NCCC[NH+]3CCOCC3)o2)c1 ZINC000027935619 539820723 /nfs/dbraw/zinc/82/07/23/539820723.db2.gz DVHUOMPKALLKRS-UHFFFAOYSA-N 1 1 374.437 2.319 50 0 FEAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000032333267 539935159 /nfs/dbraw/zinc/93/51/59/539935159.db2.gz UQOXYRGAOSYWDT-UHFFFAOYSA-N 1 1 365.890 2.134 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000032667660 539946703 /nfs/dbraw/zinc/94/67/03/539946703.db2.gz JIOJJMIGCAICSQ-OAHLLOKOSA-N 1 1 357.454 2.494 50 0 FEAAMO CN1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000040089768 540005529 /nfs/dbraw/zinc/00/55/29/540005529.db2.gz ZDOIXBQWRUAGMC-UHFFFAOYSA-N 1 1 355.457 2.432 50 0 FEAAMO C[C@@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040087310 540005555 /nfs/dbraw/zinc/00/55/55/540005555.db2.gz IUMSQJAGMWUOEM-RCCFBDPRSA-N 1 1 370.497 2.419 50 0 FEAAMO COCCCNC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000041272862 540015284 /nfs/dbraw/zinc/01/52/84/540015284.db2.gz OVSUKUNRCBGTGV-UHFFFAOYSA-N 1 1 372.469 2.410 50 0 FEAAMO COc1ccc(-c2cc(CNC(=O)C[C@@H]3C[N@H+](C(C)C)CCO3)on2)cc1 ZINC000299800510 223104704 /nfs/dbraw/zinc/10/47/04/223104704.db2.gz SYRPSBGQSPYLQJ-GOSISDBHSA-N 1 1 373.453 2.466 50 0 FEAAMO CC(C)n1ccc(C[NH+]2CCN(c3cc(NC4CC4)nc(N)n3)CC2)c1 ZINC000067948066 541531838 /nfs/dbraw/zinc/53/18/38/541531838.db2.gz AOTSIGQYAXJNQP-UHFFFAOYSA-N 1 1 355.490 2.338 50 0 FEAAMO CC(=O)N1CCc2c(nc(C)nc2NCC2(Cn3cc[nH+]c3C)CC2)C1 ZINC000071416091 541767458 /nfs/dbraw/zinc/76/74/58/541767458.db2.gz DHRHMFNOPMZANF-UHFFFAOYSA-N 1 1 354.458 2.087 50 0 FEAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CC[C@@H](O)C1 ZINC000071439820 541767483 /nfs/dbraw/zinc/76/74/83/541767483.db2.gz KCXUFXKGDHHXKK-QGZVFWFLSA-N 1 1 364.449 2.173 50 0 FEAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@@H](O)C1 ZINC000071439820 541767484 /nfs/dbraw/zinc/76/74/84/541767484.db2.gz KCXUFXKGDHHXKK-QGZVFWFLSA-N 1 1 364.449 2.173 50 0 FEAAMO O=C(c1nc2sccn2c1C[NH+]1CCC2(CCO2)CC1)N1CCCC1 ZINC000071767758 541771844 /nfs/dbraw/zinc/77/18/44/541771844.db2.gz WVYGVWURGNKHLE-UHFFFAOYSA-N 1 1 360.483 2.387 50 0 FEAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CC1 ZINC000072129688 541785096 /nfs/dbraw/zinc/78/50/96/541785096.db2.gz FVVDUUVBEYHONL-IBGZPJMESA-N 1 1 357.498 2.272 50 0 FEAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccc1)CC1CC1 ZINC000072129688 541785098 /nfs/dbraw/zinc/78/50/98/541785098.db2.gz FVVDUUVBEYHONL-IBGZPJMESA-N 1 1 357.498 2.272 50 0 FEAAMO Cn1cc(C[N@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072149665 541789179 /nfs/dbraw/zinc/78/91/79/541789179.db2.gz LKGLUXOJMJIHIO-DUXKGJEZSA-N 1 1 366.465 2.211 50 0 FEAAMO Cn1cc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072149665 541789181 /nfs/dbraw/zinc/78/91/81/541789181.db2.gz LKGLUXOJMJIHIO-DUXKGJEZSA-N 1 1 366.465 2.211 50 0 FEAAMO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072149818 541788986 /nfs/dbraw/zinc/78/89/86/541788986.db2.gz HAOWTXOJULYFMC-SFHVURJKSA-N 1 1 354.454 2.138 50 0 FEAAMO Cn1cc(CC(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c2ccccc21 ZINC000072150048 541789793 /nfs/dbraw/zinc/78/97/93/541789793.db2.gz BOVTVSDXFFPMGH-GOSISDBHSA-N 1 1 355.482 2.169 50 0 FEAAMO OC[C@H]1CC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)C[C@H]1O ZINC000072150416 541789929 /nfs/dbraw/zinc/78/99/29/541789929.db2.gz POEWOXHSQMCSKO-CRAIPNDOSA-N 1 1 355.413 2.316 50 0 FEAAMO CC(=O)N1CC[C@H]2[N@@H+](CCCOCc3ccccc3)CCC[C@]2(CO)C1 ZINC000072157338 541791836 /nfs/dbraw/zinc/79/18/36/541791836.db2.gz SECQTAKJCGCEEV-NHCUHLMSSA-N 1 1 360.498 2.289 50 0 FEAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1ccncc1)C2 ZINC000072162572 541792190 /nfs/dbraw/zinc/79/21/90/541792190.db2.gz HCXIHAFRDGWBNX-NJYVYQBISA-N 1 1 359.514 2.421 50 0 FEAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000072162572 541792193 /nfs/dbraw/zinc/79/21/93/541792193.db2.gz HCXIHAFRDGWBNX-NJYVYQBISA-N 1 1 359.514 2.421 50 0 FEAAMO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C(=O)CCCc2ccccc2)cn1 ZINC000072163839 541793325 /nfs/dbraw/zinc/79/33/25/541793325.db2.gz MKNLFXLMVSKKII-IBGZPJMESA-N 1 1 366.465 2.152 50 0 FEAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNS(=O)(=O)NCc2ccccc2)C1 ZINC000072164904 541793519 /nfs/dbraw/zinc/79/35/19/541793519.db2.gz RCLPJNDINMBYLA-LJQANCHMSA-N 1 1 373.522 2.441 50 0 FEAAMO Cc1c(F)cccc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072164031 541793532 /nfs/dbraw/zinc/79/35/32/541793532.db2.gz QKFKSJBJPVEZTH-NRFANRHFSA-N 1 1 367.424 2.110 50 0 FEAAMO Cn1ncc2c1nc(C(C)(C)C)nc2NCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000072163671 541793047 /nfs/dbraw/zinc/79/30/47/541793047.db2.gz UUVUVACJSVLASE-CQSZACIVSA-N 1 1 360.506 2.167 50 0 FEAAMO Cc1cc(=O)c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c[nH]1 ZINC000072410864 541807662 /nfs/dbraw/zinc/80/76/62/541807662.db2.gz HQPHTPWHXXGMSJ-UHFFFAOYSA-N 1 1 353.466 2.464 50 0 FEAAMO CN(C)C1(CNC(=O)c2cccc(CCC(C)(C)O)c2)CC[NH+](C)CC1 ZINC000072420199 541808902 /nfs/dbraw/zinc/80/89/02/541808902.db2.gz IBEOGAUQNCPNPN-UHFFFAOYSA-N 1 1 361.530 2.146 50 0 FEAAMO O=C([C@@H](O)Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072431018 541812289 /nfs/dbraw/zinc/81/22/89/541812289.db2.gz WEFDMJLFAUYGLD-FQEVSTJZSA-N 1 1 356.441 2.464 50 0 FEAAMO O=C([C@@H](O)Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072431018 541812292 /nfs/dbraw/zinc/81/22/92/541812292.db2.gz WEFDMJLFAUYGLD-FQEVSTJZSA-N 1 1 356.441 2.464 50 0 FEAAMO O=C(c1cnc[nH]c1=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072429482 541811460 /nfs/dbraw/zinc/81/14/60/541811460.db2.gz ZPNIIIYMMCDBDG-NRFANRHFSA-N 1 1 366.465 2.288 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)CC2)c1 ZINC000072467788 541817855 /nfs/dbraw/zinc/81/78/55/541817855.db2.gz QDJHVYQHVCAWKZ-UHFFFAOYSA-N 1 1 365.433 2.398 50 0 FEAAMO Cc1cc2nc(-c3ccccc3)cc(NC3CC[NH+](CC(N)=O)CC3)n2n1 ZINC000072470404 541818842 /nfs/dbraw/zinc/81/88/42/541818842.db2.gz MLUZLNSDZIHBCE-UHFFFAOYSA-N 1 1 364.453 2.066 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000010331041 204011248 /nfs/dbraw/zinc/01/12/48/204011248.db2.gz QCUXVMJTZIDLTC-ZDUSSCGKSA-N 1 1 353.781 2.430 50 0 FEAAMO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006882149 204280085 /nfs/dbraw/zinc/28/00/85/204280085.db2.gz CHTTWFRTFVFGMI-CQSZACIVSA-N 1 1 361.467 2.101 50 0 FEAAMO CCOC(=O)c1c(C)c(CC)sc1NC(=O)COC(=O)[C@H]1CCC[NH2+]1 ZINC000014185476 204572947 /nfs/dbraw/zinc/57/29/47/204572947.db2.gz DJDXVERCCZMRDO-LLVKDONJSA-N 1 1 368.455 2.029 50 0 FEAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)sc2[nH]cnc(=O)c12 ZINC000079191191 205058771 /nfs/dbraw/zinc/05/87/71/205058771.db2.gz MTRQIYCIQFNYAL-QWHCGFSZSA-N 1 1 360.483 2.287 50 0 FEAAMO COc1ccccc1CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227479 205143852 /nfs/dbraw/zinc/14/38/52/205143852.db2.gz JJKNYIFMNNKDII-UHFFFAOYSA-N 1 1 354.450 2.386 50 0 FEAAMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)nnn1-c1ccc(F)cc1 ZINC000048380477 205162101 /nfs/dbraw/zinc/16/21/01/205162101.db2.gz IQOYSDBBUJJRIP-OAHLLOKOSA-N 1 1 357.389 2.341 50 0 FEAAMO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000048374423 205163082 /nfs/dbraw/zinc/16/30/82/205163082.db2.gz XDPGDMOBUHWBEI-IBGZPJMESA-N 1 1 357.498 2.446 50 0 FEAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)NCc1cccc(F)c1 ZINC000049546926 205173315 /nfs/dbraw/zinc/17/33/15/205173315.db2.gz CJBORQPITKECHO-UHFFFAOYSA-N 1 1 374.412 2.460 50 0 FEAAMO Cc1ccc[nH+]c1NCCNC(=O)CCCn1cnc2ccccc2c1=O ZINC000055042523 205205708 /nfs/dbraw/zinc/20/57/08/205205708.db2.gz NLINWTYLRIWURQ-UHFFFAOYSA-N 1 1 365.437 2.108 50 0 FEAAMO CC(C)(C)C(=O)NCCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039304 205227628 /nfs/dbraw/zinc/22/76/28/205227628.db2.gz AEMDFJAWJZYFLQ-UHFFFAOYSA-N 1 1 361.486 2.052 50 0 FEAAMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000056993633 205234454 /nfs/dbraw/zinc/23/44/54/205234454.db2.gz FTTSMDXSIQEZMY-UHFFFAOYSA-N 1 1 352.482 2.409 50 0 FEAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1 ZINC000055393645 205217447 /nfs/dbraw/zinc/21/74/47/205217447.db2.gz HWOJJRJLWRVUOQ-HNNXBMFYSA-N 1 1 359.470 2.042 50 0 FEAAMO Cc1cccc(OCC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000058200871 205258251 /nfs/dbraw/zinc/25/82/51/205258251.db2.gz XPCJORAZUNTSRQ-LJQANCHMSA-N 1 1 367.449 2.462 50 0 FEAAMO Cc1cccc(OCC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000058200871 205258256 /nfs/dbraw/zinc/25/82/56/205258256.db2.gz XPCJORAZUNTSRQ-LJQANCHMSA-N 1 1 367.449 2.462 50 0 FEAAMO CCOC(=O)c1c(C)c(CCC(=O)N2CC[NH+](CC)CC2)n(CC)c1C ZINC000064970516 205311526 /nfs/dbraw/zinc/31/15/26/205311526.db2.gz VLTFYTZWCCAHQG-UHFFFAOYSA-N 1 1 363.502 2.398 50 0 FEAAMO C=Cc1cccc(C[NH+]2CCN(c3cncc(C(=O)N(C)C)n3)CC2)c1 ZINC000065432037 205350780 /nfs/dbraw/zinc/35/07/80/205350780.db2.gz FLQBKDKLCNBXKY-UHFFFAOYSA-N 1 1 351.454 2.144 50 0 FEAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000065489300 205353363 /nfs/dbraw/zinc/35/33/63/205353363.db2.gz LYNYLCSUDQSGCM-MRXNPFEDSA-N 1 1 351.410 2.427 50 0 FEAAMO COc1cc(NC(=O)C[N@H+]2CCC[C@H](Cn3ccnc3)C2)cc(OC)c1 ZINC000065470056 205354323 /nfs/dbraw/zinc/35/43/23/205354323.db2.gz WPFTVTUELMXARS-HNNXBMFYSA-N 1 1 358.442 2.251 50 0 FEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065497338 205355211 /nfs/dbraw/zinc/35/52/11/205355211.db2.gz WIHQJLBTFILOND-CYBMUJFWSA-N 1 1 353.413 2.166 50 0 FEAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCc3ccccn3)c2)CCO1 ZINC000065592149 205360194 /nfs/dbraw/zinc/36/01/94/205360194.db2.gz IEHSQHSEZRVOQA-MRXNPFEDSA-N 1 1 354.454 2.302 50 0 FEAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCc3ccccn3)c2)CCO1 ZINC000065592149 205360199 /nfs/dbraw/zinc/36/01/99/205360199.db2.gz IEHSQHSEZRVOQA-MRXNPFEDSA-N 1 1 354.454 2.302 50 0 FEAAMO CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3)CC2)[nH+]c(C)n1 ZINC000065362013 205338780 /nfs/dbraw/zinc/33/87/80/205338780.db2.gz JTALAQPURYACNH-UHFFFAOYSA-N 1 1 355.442 2.188 50 0 FEAAMO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065381116 205343181 /nfs/dbraw/zinc/34/31/81/205343181.db2.gz FOAVCKPBNMXBPF-QGZVFWFLSA-N 1 1 357.458 2.314 50 0 FEAAMO CC(C)C[C@@H]1COCC[N@H+]1Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065381116 205343187 /nfs/dbraw/zinc/34/31/87/205343187.db2.gz FOAVCKPBNMXBPF-QGZVFWFLSA-N 1 1 357.458 2.314 50 0 FEAAMO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000065406387 205346136 /nfs/dbraw/zinc/34/61/36/205346136.db2.gz GHBJUCBNJMXTIG-UHFFFAOYSA-N 1 1 351.410 2.208 50 0 FEAAMO CN(Cc1cc(-c2ccncc2)no1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065408470 205347745 /nfs/dbraw/zinc/34/77/45/205347745.db2.gz WEHNGSCXLURVLM-UHFFFAOYSA-N 1 1 366.425 2.124 50 0 FEAAMO CC[N@@H+](Cc1cccc(C(=O)Nc2ncc(C)s2)c1)[C@H]1COC[C@@H]1O ZINC000065417427 205347798 /nfs/dbraw/zinc/34/77/98/205347798.db2.gz YKZLGJYVARIXOY-HOTGVXAUSA-N 1 1 361.467 2.285 50 0 FEAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccc(F)cc2[nH]c1=O ZINC000067431693 205371436 /nfs/dbraw/zinc/37/14/36/205371436.db2.gz QDYZCKRESZJECX-LJQANCHMSA-N 1 1 365.408 2.340 50 0 FEAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccc(F)cc2[nH]c1=O ZINC000067431693 205371439 /nfs/dbraw/zinc/37/14/39/205371439.db2.gz QDYZCKRESZJECX-LJQANCHMSA-N 1 1 365.408 2.340 50 0 FEAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000067622391 205378004 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COc1cccc(OCc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)[nH]n2)c1 ZINC000067817306 205394713 /nfs/dbraw/zinc/39/47/13/205394713.db2.gz PSFIGOMCHZARCR-HNNXBMFYSA-N 1 1 358.442 2.164 50 0 FEAAMO COc1cccc(OCc2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)[nH]n2)c1 ZINC000067817306 205394716 /nfs/dbraw/zinc/39/47/16/205394716.db2.gz PSFIGOMCHZARCR-HNNXBMFYSA-N 1 1 358.442 2.164 50 0 FEAAMO CN(CCc1ccccc1)Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)no1 ZINC000067847645 205396159 /nfs/dbraw/zinc/39/61/59/205396159.db2.gz ORXVQTFIJXRXCK-QGZVFWFLSA-N 1 1 356.470 2.125 50 0 FEAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000067856232 205397453 /nfs/dbraw/zinc/39/74/53/205397453.db2.gz RVBUBVXAFQZXNJ-QGZVFWFLSA-N 1 1 369.513 2.450 50 0 FEAAMO CN1c2ccccc2[C@@]2(CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC000072152444 205485256 /nfs/dbraw/zinc/48/52/56/205485256.db2.gz VJJZBJCONNDPTL-NRFANRHFSA-N 1 1 357.498 2.107 50 0 FEAAMO CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000091462162 205674512 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2.328 50 0 biogenic FEAAMO C[N@@H+](CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 ZINC000005123253 206190261 /nfs/dbraw/zinc/19/02/61/206190261.db2.gz MWOZCTNXJZQAAZ-GOSISDBHSA-N 1 1 366.465 2.223 50 0 FEAAMO COc1ccccc1-n1cc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cn1 ZINC000104293916 206237328 /nfs/dbraw/zinc/23/73/28/206237328.db2.gz DGCLRLPWJIZJFG-LJQANCHMSA-N 1 1 372.513 2.406 50 0 FEAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)c1 ZINC000104480072 206238812 /nfs/dbraw/zinc/23/88/12/206238812.db2.gz SWVXWUAANCXYFT-LJQANCHMSA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)c1 ZINC000104480072 206238816 /nfs/dbraw/zinc/23/88/16/206238816.db2.gz SWVXWUAANCXYFT-LJQANCHMSA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(O)cc3)C[C@H]2CCO)c1 ZINC000104480072 206238818 /nfs/dbraw/zinc/23/88/18/206238818.db2.gz SWVXWUAANCXYFT-LJQANCHMSA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(O)cc3)C[C@H]2CCO)c1 ZINC000104480072 206238821 /nfs/dbraw/zinc/23/88/21/206238821.db2.gz SWVXWUAANCXYFT-LJQANCHMSA-N 1 1 356.466 2.470 50 0 FEAAMO O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613679 206274160 /nfs/dbraw/zinc/27/41/60/206274160.db2.gz ZLTJJMXOFVRLPO-IRXDYDNUSA-N 1 1 369.469 2.445 50 0 FEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000015942358 206318038 /nfs/dbraw/zinc/31/80/38/206318038.db2.gz XIXZWXSUBKYBAY-ICSRJNTNSA-N 1 1 371.525 2.316 50 0 FEAAMO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1 ZINC000016632577 206320442 /nfs/dbraw/zinc/32/04/42/206320442.db2.gz URSASGUKRNOTET-UHFFFAOYSA-N 1 1 373.384 2.377 50 0 FEAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(F)cc1 ZINC000016632577 206320446 /nfs/dbraw/zinc/32/04/46/206320446.db2.gz URSASGUKRNOTET-UHFFFAOYSA-N 1 1 373.384 2.377 50 0 FEAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000215510423 206347883 /nfs/dbraw/zinc/34/78/83/206347883.db2.gz HEPWSIIXVYYRFK-UHFFFAOYSA-N 1 1 350.850 2.219 50 0 FEAAMO CCN(Cc1nc(COC)no1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000219614708 206388378 /nfs/dbraw/zinc/38/83/78/206388378.db2.gz KZIDPAFRFZUUSK-INIZCTEOSA-N 1 1 358.442 2.229 50 0 FEAAMO CC(C)NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908115 206395557 /nfs/dbraw/zinc/39/55/57/206395557.db2.gz FYULQJMCQQFWLD-QGZVFWFLSA-N 1 1 371.506 2.488 50 0 FEAAMO CC(C)NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908115 206395561 /nfs/dbraw/zinc/39/55/61/206395561.db2.gz FYULQJMCQQFWLD-QGZVFWFLSA-N 1 1 371.506 2.488 50 0 FEAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000075572749 542189650 /nfs/dbraw/zinc/18/96/50/542189650.db2.gz KMKOWCKQADDMKP-CQSZACIVSA-N 1 1 355.429 2.291 50 0 FEAAMO O=C(CCCn1cccn1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077286323 542361245 /nfs/dbraw/zinc/36/12/45/542361245.db2.gz JVHMFZXAFYZXAZ-UHFFFAOYSA-N 1 1 352.482 2.365 50 0 FEAAMO CCC[C@@H](C)N1CC2(CCN(C(=O)Cn3cc[nH+]c3CC)CC2)OC1=O ZINC000077379565 542375388 /nfs/dbraw/zinc/37/53/88/542375388.db2.gz JGBSNCOIFBDUSP-OAHLLOKOSA-N 1 1 362.474 2.448 50 0 FEAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccnc3N)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077386122 542376244 /nfs/dbraw/zinc/37/62/44/542376244.db2.gz BSHFVMHVFQLNAM-RBUKOAKNSA-N 1 1 350.466 2.466 50 0 FEAAMO CC[NH+]1CCC([NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)CC1 ZINC000082107594 542684353 /nfs/dbraw/zinc/68/43/53/542684353.db2.gz ZTKBGKXBZXJLLV-UHFFFAOYSA-N 1 1 362.470 2.478 50 0 FEAAMO CCC[N@H+]1CCCn2nc(CNS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000082126038 542685576 /nfs/dbraw/zinc/68/55/76/542685576.db2.gz ZFWOZCXNMBRVGG-UHFFFAOYSA-N 1 1 366.462 2.116 50 0 FEAAMO Cc1ccc(N2CCC([N@H+]3CC[C@@]4(CC(=O)NC4=O)C3)CC2)cc1Cl ZINC000082096545 132194208 /nfs/dbraw/zinc/19/42/08/132194208.db2.gz UXJAQCLHJQRXHU-LJQANCHMSA-N 1 1 361.873 2.356 50 0 FEAAMO Nc1cc(N2CCC3(CC(=O)N(Cc4ccc(F)c(F)c4)C3)CC2)nc[nH+]1 ZINC000091694610 132203399 /nfs/dbraw/zinc/20/33/99/132203399.db2.gz GXYIXJDRKNSSEX-UHFFFAOYSA-N 1 1 373.407 2.356 50 0 FEAAMO NC(=O)c1cccnc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091755036 132203716 /nfs/dbraw/zinc/20/37/16/132203716.db2.gz UGNQYQHRZAKXLA-UHFFFAOYSA-N 1 1 362.437 2.204 50 0 FEAAMO COCC[C@]1(O)CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000091965454 132205202 /nfs/dbraw/zinc/20/52/02/132205202.db2.gz DTLCVTHNSKJYKZ-DYESRHJHSA-N 1 1 360.498 2.465 50 0 FEAAMO Cc1cnc(C)c(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095390320 132210482 /nfs/dbraw/zinc/21/04/82/132210482.db2.gz YCHJSXHGNZCUOF-FQEVSTJZSA-N 1 1 357.502 2.007 50 0 FEAAMO Cc1cc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)CC2)nc(N2CCCC2)n1 ZINC000102517079 132235461 /nfs/dbraw/zinc/23/54/61/132235461.db2.gz HLJLLMHKLUPINW-YRWFTTLQSA-N 1 1 371.529 2.057 50 0 FEAAMO Cc1cc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)CC2)nc(N2CCCC2)n1 ZINC000102517079 132235463 /nfs/dbraw/zinc/23/54/63/132235463.db2.gz HLJLLMHKLUPINW-YRWFTTLQSA-N 1 1 371.529 2.057 50 0 FEAAMO COc1ccc(C[N@H+]2CCN(c3ncccn3)C[C@H]2CCO)c(C)c1C ZINC000106942923 132266167 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Cc1ccc(CSc2nc(N)cc(N3CCC(C(N)=O)CC3)[nH+]2)cc1 ZINC000095380556 132209500 /nfs/dbraw/zinc/20/95/00/132209500.db2.gz RCESSOJGQZKGTE-UHFFFAOYSA-N 1 1 357.483 2.361 50 0 FEAAMO CCN(C)C(=O)c1ccc(N2CCC[C@@H](c3[nH+]ccn3CCOC)C2)nc1 ZINC000095512220 132213162 /nfs/dbraw/zinc/21/31/62/132213162.db2.gz WEPJNDGBSUTDBH-QGZVFWFLSA-N 1 1 371.485 2.400 50 0 FEAAMO CNc1nc(N2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000106963432 132240627 /nfs/dbraw/zinc/24/06/27/132240627.db2.gz HJEGOKHGHNGSCD-HNNXBMFYSA-N 1 1 373.526 2.142 50 0 FEAAMO CNc1nc(N2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000106963432 132240630 /nfs/dbraw/zinc/24/06/30/132240630.db2.gz HJEGOKHGHNGSCD-HNNXBMFYSA-N 1 1 373.526 2.142 50 0 FEAAMO COc1cccc(C[N@H+](C)CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000008213194 132259500 /nfs/dbraw/zinc/25/95/00/132259500.db2.gz QEXJQZGZGHYDBF-UHFFFAOYSA-N 1 1 353.466 2.476 50 0 FEAAMO COc1cccc(C[N@@H+](C)CC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000008213194 132259501 /nfs/dbraw/zinc/25/95/01/132259501.db2.gz 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358.482 2.296 50 0 FEAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000091713530 542821485 /nfs/dbraw/zinc/82/14/85/542821485.db2.gz WSNHQDVPWJRLKP-SFHVURJKSA-N 1 1 365.543 2.384 50 0 FEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N)nc1)CC2 ZINC000091649732 542817993 /nfs/dbraw/zinc/81/79/93/542817993.db2.gz JHUIASTVAODUGL-UHFFFAOYSA-N 1 1 368.485 2.177 50 0 FEAAMO COCC[N@H+]1C[C@H](NC(=O)c2c(F)cc(OC)cc2F)[C@@H](C(C)C)C1 ZINC000091849201 542828616 /nfs/dbraw/zinc/82/86/16/542828616.db2.gz BWBRLDXIXHHFMI-CJNGLKHVSA-N 1 1 356.413 2.306 50 0 FEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3ccc(OC)cc3n1C)C2 ZINC000091859112 542829462 /nfs/dbraw/zinc/82/94/62/542829462.db2.gz LPAQCPPBQOKKML-NVXWUHKLSA-N 1 1 371.481 2.370 50 0 FEAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091986301 542834635 /nfs/dbraw/zinc/83/46/35/542834635.db2.gz NQNRMXRNFZXADK-ZWKOTPCHSA-N 1 1 366.465 2.351 50 0 FEAAMO 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CNC(=O)c1ccc(/C=C/C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000030317346 539879305 /nfs/dbraw/zinc/87/93/05/539879305.db2.gz YYVDJRPXLBAJEH-DHZHZOJOSA-N 1 1 363.461 2.234 50 0 FEAAMO COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000030499740 539882881 /nfs/dbraw/zinc/88/28/81/539882881.db2.gz ICBIZDRMAHDYGZ-QGZVFWFLSA-N 1 1 362.451 2.054 50 0 FEAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+]1CCCC1 ZINC000032538124 539942830 /nfs/dbraw/zinc/94/28/30/539942830.db2.gz YLRNHCRMBQANSB-UHFFFAOYSA-N 1 1 350.488 2.292 50 0 FEAAMO COc1ccc(CCNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032889501 539957121 /nfs/dbraw/zinc/95/71/21/539957121.db2.gz YURAYTHHCVRGAC-IYBDPMFKSA-N 1 1 363.502 2.425 50 0 FEAAMO COc1ccc(CCNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032889501 539957124 /nfs/dbraw/zinc/95/71/24/539957124.db2.gz YURAYTHHCVRGAC-IYBDPMFKSA-N 1 1 363.502 2.425 50 0 FEAAMO COc1cccc(N2C[C@H](C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2=O)c1 ZINC000032931220 539960477 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CCc1cc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)n[nH]1 ZINC000071575603 541768733 /nfs/dbraw/zinc/76/87/33/541768733.db2.gz ZMUIWNAHTWHLEY-UHFFFAOYSA-N 1 1 373.545 2.271 50 0 FEAAMO CC(=O)N1CCc2c(nc(C)nc2NCCCNc2ccc(C)c[nH+]2)C1 ZINC000071752061 541770162 /nfs/dbraw/zinc/77/01/62/541770162.db2.gz HGDPEUPIOMYHNW-UHFFFAOYSA-N 1 1 354.458 2.307 50 0 FEAAMO O=C(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000072140541 541785922 /nfs/dbraw/zinc/78/59/22/541785922.db2.gz IPHGWVDWQYQVMA-INIZCTEOSA-N 1 1 371.868 2.390 50 0 FEAAMO CC(C)C(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072163991 541793088 /nfs/dbraw/zinc/79/30/88/541793088.db2.gz ALBNYWGOOLRACZ-INIZCTEOSA-N 1 1 351.878 2.193 50 0 FEAAMO CC(C)C(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072163991 541793092 /nfs/dbraw/zinc/79/30/92/541793092.db2.gz ALBNYWGOOLRACZ-INIZCTEOSA-N 1 1 351.878 2.193 50 0 FEAAMO CC(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165421 541794362 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FEAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000072476486 541819159 /nfs/dbraw/zinc/81/91/59/541819159.db2.gz QZTCIJAUBIAAIE-IBGZPJMESA-N 1 1 360.498 2.213 50 0 FEAAMO CN(Cc1nc2c(s1)CCCC2)[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC000072479761 541821590 /nfs/dbraw/zinc/82/15/90/541821590.db2.gz FHVLREYSGJQVOS-IRXDYDNUSA-N 1 1 358.511 2.094 50 0 FEAAMO CN(Cc1nc2c(s1)CCCC2)[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC000072479761 541821594 /nfs/dbraw/zinc/82/15/94/541821594.db2.gz FHVLREYSGJQVOS-IRXDYDNUSA-N 1 1 358.511 2.094 50 0 FEAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000010331105 204010937 /nfs/dbraw/zinc/01/09/37/204010937.db2.gz MQDWCCFUDXUSGJ-CYBMUJFWSA-N 1 1 365.817 2.299 50 0 FEAAMO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)C[NH+]1CCCC1)OCO3 ZINC000002239604 204029696 /nfs/dbraw/zinc/02/96/96/204029696.db2.gz UAHJOHWQUNVFHQ-UHFFFAOYSA-N 1 1 359.382 2.108 50 0 FEAAMO COCC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036095038 205003762 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Cc1c(NCc2cccnc2)cccc1C(=O)NCC[N@H+]1CCC[C@H](O)C1 ZINC000055182443 205209667 /nfs/dbraw/zinc/20/96/67/205209667.db2.gz HWGHWRHTKZDHEB-SFHVURJKSA-N 1 1 368.481 2.189 50 0 FEAAMO O=S(=O)(N1CC[NH+](CCCc2ccccc2)CC1)N1CCCCCC1 ZINC000055404357 205217531 /nfs/dbraw/zinc/21/75/31/205217531.db2.gz GECOWJCYGCYZIS-UHFFFAOYSA-N 1 1 365.543 2.358 50 0 FEAAMO Cc1cc2c(cc1[C@H]1N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]31)OCO2 ZINC000065429188 205351032 /nfs/dbraw/zinc/35/10/32/205351032.db2.gz XCVOFTVJMJFGQQ-GMQQQROESA-N 1 1 366.461 2.434 50 0 FEAAMO C[NH+](C)[C@@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1cccc(F)c1 ZINC000065456168 205352728 /nfs/dbraw/zinc/35/27/28/205352728.db2.gz WIBGUPGVXHVBIR-GOSISDBHSA-N 1 1 357.429 2.334 50 0 FEAAMO COc1cccc(C(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c1 ZINC000065363749 205339134 /nfs/dbraw/zinc/33/91/34/205339134.db2.gz DHJZLTDDAPJOPY-UHFFFAOYSA-N 1 1 355.442 2.236 50 0 FEAAMO O=C1C[N@H+](CCCn2cnc(-c3ccccc3)c2-c2nccs2)CCN1 ZINC000065432282 205349590 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COC(=O)N1CCC2(CCC([N@H+]3CC[C@H](N(C)C(C)=O)C3)CC2)CC1 ZINC000067846915 205396076 /nfs/dbraw/zinc/39/60/76/205396076.db2.gz BCCKMETUAFBJAF-KRWDZBQOSA-N 1 1 351.491 2.330 50 0 FEAAMO COc1ccc2cc(C[NH+]3CCN(Cc4ccncc4)CC3)c(=O)[nH]c2c1 ZINC000067871606 205399038 /nfs/dbraw/zinc/39/90/38/205399038.db2.gz LTQKXVBFVFAYPA-UHFFFAOYSA-N 1 1 364.449 2.250 50 0 FEAAMO CC(C)(C)c1cc(CNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)n[nH]1 ZINC000072435311 205547647 /nfs/dbraw/zinc/54/76/47/205547647.db2.gz BVCSQTSQJPRDRL-UHFFFAOYSA-N 1 1 355.490 2.372 50 0 FEAAMO C[C@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105637254 206007762 /nfs/dbraw/zinc/00/77/62/206007762.db2.gz IUMSQJAGMWUOEM-KURKYZTESA-N 1 1 370.497 2.419 50 0 FEAAMO C[C@H](CNC(=O)CCc1cnn(-c2ccccc2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105637254 206007766 /nfs/dbraw/zinc/00/77/66/206007766.db2.gz IUMSQJAGMWUOEM-KURKYZTESA-N 1 1 370.497 2.419 50 0 FEAAMO COC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 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C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C1 ZINC000076091448 542232007 /nfs/dbraw/zinc/23/20/07/542232007.db2.gz OEAPINJSWQRYRA-FGTMMUONSA-N 1 1 374.529 2.405 50 0 FEAAMO CC(=O)N[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1C(C)C ZINC000077342697 542369599 /nfs/dbraw/zinc/36/95/99/542369599.db2.gz VAUDNJDCYCEDPY-FUHWJXTLSA-N 1 1 365.905 2.439 50 0 FEAAMO Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)C[NH+](C)C)CC2=O)cc1 ZINC000082108850 132195273 /nfs/dbraw/zinc/19/52/73/132195273.db2.gz WPFFFCHUHMHRNC-HXUWFJFHSA-N 1 1 365.477 2.343 50 0 FEAAMO NC(=O)c1cc2c(nc1N1CC[NH+](Cc3cccc(F)c3)CC1)CCC2 ZINC000095376261 132209175 /nfs/dbraw/zinc/20/91/75/132209175.db2.gz MOQCYZCOPYPLHC-UHFFFAOYSA-N 1 1 354.429 2.131 50 0 FEAAMO CCc1cc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)ncn1 ZINC000095381483 132209456 /nfs/dbraw/zinc/20/94/56/132209456.db2.gz DAGMHUATMNUDKG-LJQANCHMSA-N 1 1 371.460 2.130 50 0 FEAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012569674 132267612 /nfs/dbraw/zinc/26/76/12/132267612.db2.gz RJINPVDNXGHIQD-HZPDHXFCSA-N 1 1 358.486 2.201 50 0 FEAAMO CNc1nc(N2CCN(c3ccccc3F)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299771183 132298591 /nfs/dbraw/zinc/29/85/91/132298591.db2.gz TWZSUOFOUFJKDE-AWEZNQCLSA-N 1 1 357.433 2.488 50 0 FEAAMO O=C(c1ccccc1-c1nn[nH]n1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091350634 542805106 /nfs/dbraw/zinc/80/51/06/542805106.db2.gz ISQUJWFQULLAIP-HZPDHXFCSA-N 1 1 366.469 2.203 50 0 FEAAMO [NH3+]CCc1cccc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1 ZINC000091321773 542804448 /nfs/dbraw/zinc/80/44/48/542804448.db2.gz BDAQNJKAOKOTNQ-ZWKOTPCHSA-N 1 1 368.433 2.217 50 0 FEAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000091487109 542810627 /nfs/dbraw/zinc/81/06/27/542810627.db2.gz DHRTUAPQXOWBFB-UHFFFAOYSA-N 1 1 372.444 2.071 50 0 FEAAMO Cc1ccn2c(=O)cc(C[N@@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)nc2c1 ZINC000091536550 542811657 /nfs/dbraw/zinc/81/16/57/542811657.db2.gz DPINIGLGQKOPJI-NRFANRHFSA-N 1 1 368.481 2.226 50 0 FEAAMO CN1CCN(C[C@@H]2CCC[N@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586099 542814112 /nfs/dbraw/zinc/81/41/12/542814112.db2.gz FSLPBDOSQUJZJH-INIZCTEOSA-N 1 1 372.488 2.127 50 0 FEAAMO CN1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586099 542814116 /nfs/dbraw/zinc/81/41/16/542814116.db2.gz FSLPBDOSQUJZJH-INIZCTEOSA-N 1 1 372.488 2.127 50 0 FEAAMO CN1CCN(C[C@H]2CCC[N@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586100 542814153 /nfs/dbraw/zinc/81/41/53/542814153.db2.gz FSLPBDOSQUJZJH-MRXNPFEDSA-N 1 1 372.488 2.127 50 0 FEAAMO CN1CCN(C[C@H]2CCC[N@@H+](Cc3cc(=O)c4cc(F)ccc4[nH]3)C2)CC1 ZINC000091586100 542814157 /nfs/dbraw/zinc/81/41/57/542814157.db2.gz FSLPBDOSQUJZJH-MRXNPFEDSA-N 1 1 372.488 2.127 50 0 FEAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cn(C)nc2C)C3)cc1 ZINC000091594732 542815361 /nfs/dbraw/zinc/81/53/61/542815361.db2.gz DFMCDCUJWRRDMP-ZWKOTPCHSA-N 1 1 368.481 2.474 50 0 FEAAMO CC[N@@H+](C)C1(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)CCCC1 ZINC000091792841 542825929 /nfs/dbraw/zinc/82/59/29/542825929.db2.gz QRLBBRWLTVNTOK-UHFFFAOYSA-N 1 1 354.454 2.431 50 0 FEAAMO COc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1=O ZINC000091831064 542827214 /nfs/dbraw/zinc/82/72/14/542827214.db2.gz BVTRGJHVUXRWEJ-FUHWJXTLSA-N 1 1 367.449 2.007 50 0 FEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nc(C)cs1)C2 ZINC000091830451 542827730 /nfs/dbraw/zinc/82/77/30/542827730.db2.gz YLAOPXDJMVMNPI-ZIAGYGMSSA-N 1 1 355.529 2.113 50 0 FEAAMO COCCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)C1CC[NH+](C)CC1 ZINC000091817521 542826683 /nfs/dbraw/zinc/82/66/83/542826683.db2.gz TVQBWGYKUUQNEJ-UHFFFAOYSA-N 1 1 372.469 2.268 50 0 FEAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccccn1)CC2 ZINC000091876419 542829992 /nfs/dbraw/zinc/82/99/92/542829992.db2.gz IRROPUQCHGMYGG-UHFFFAOYSA-N 1 1 351.454 2.091 50 0 FEAAMO CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C ZINC000091894454 542831790 /nfs/dbraw/zinc/83/17/90/542831790.db2.gz KKYGZBIWGWVJGU-KRWDZBQOSA-N 1 1 358.421 2.133 50 0 FEAAMO CCc1nc(N)sc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC ZINC000091943898 542833024 /nfs/dbraw/zinc/83/30/24/542833024.db2.gz ILBHSGXDJRAOMV-UHFFFAOYSA-N 1 1 374.514 2.020 50 0 FEAAMO COc1cc(C)c(C[N@H+]2C[C@H](CO)C[C@H](CN3CCOCC3)C2)cc1C ZINC000092077428 542843791 /nfs/dbraw/zinc/84/37/91/542843791.db2.gz AUZQGXJDYLVUNV-RTBURBONSA-N 1 1 362.514 2.075 50 0 FEAAMO O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000092077644 542843823 /nfs/dbraw/zinc/84/38/23/542843823.db2.gz BUDZTZQRRGYJAV-VQTJNVASSA-N 1 1 357.498 2.468 50 0 FEAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC000092099694 542846022 /nfs/dbraw/zinc/84/60/22/542846022.db2.gz UKXALIXTSRKLSU-GOSISDBHSA-N 1 1 369.509 2.370 50 0 FEAAMO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CC[NH+](CCO)CC1 ZINC000040216642 136119510 /nfs/dbraw/zinc/11/95/10/136119510.db2.gz WEHVQGPTXWJWFP-UHFFFAOYSA-N 1 1 351.454 2.127 50 0 FEAAMO COc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056965651 136127902 /nfs/dbraw/zinc/12/79/02/136127902.db2.gz SJVBVZJNOGIAEK-UHFFFAOYSA-N 1 1 369.465 2.012 50 0 FEAAMO CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)nc1 ZINC000095372251 542962906 /nfs/dbraw/zinc/96/29/06/542962906.db2.gz DBYDNNNCOUVNPI-KRWDZBQOSA-N 1 1 365.485 2.397 50 0 FEAAMO C[N@@H+](CCO)C1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072156819 136143120 /nfs/dbraw/zinc/14/31/20/136143120.db2.gz TUUIHUPIXKCZHQ-UHFFFAOYSA-N 1 1 369.444 2.428 50 0 FEAAMO CN(C)c1ncc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)s1 ZINC000072168187 136143465 /nfs/dbraw/zinc/14/34/65/136143465.db2.gz NRJJBVWLULUMDH-UHFFFAOYSA-N 1 1 354.483 2.475 50 0 FEAAMO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CC[N@@H+](Cc1ccco1)CC2 ZINC000072425151 136146368 /nfs/dbraw/zinc/14/63/68/136146368.db2.gz FMVKSHGBOHEYAZ-MRXNPFEDSA-N 1 1 356.470 2.188 50 0 FEAAMO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095359351 542959214 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2.349 50 0 FEAAMO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1noc([C@@H]2CCCO2)n1 ZINC000095378388 542964455 /nfs/dbraw/zinc/96/44/55/542964455.db2.gz VWAMGRVWVQQRDW-KRWDZBQOSA-N 1 1 370.453 2.417 50 0 FEAAMO C[N@H+]1CCC[C@H](CN2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499028 542974430 /nfs/dbraw/zinc/97/44/30/542974430.db2.gz FSUKMEFPROGLJX-HNNXBMFYSA-N 1 1 356.474 2.054 50 0 FEAAMO O[C@H](COc1cccc(C[NH+]2Cc3ccccc3C2)c1)CN1CCOCC1 ZINC000095502331 542975350 /nfs/dbraw/zinc/97/53/50/542975350.db2.gz PSAFLOAWTVUVKU-NRFANRHFSA-N 1 1 368.477 2.274 50 0 FEAAMO NC(=O)CN(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095505472 542976044 /nfs/dbraw/zinc/97/60/44/542976044.db2.gz FSRWCUHZEUBRQX-SFHVURJKSA-N 1 1 363.477 2.004 50 0 FEAAMO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000096000133 542986666 /nfs/dbraw/zinc/98/66/66/542986666.db2.gz YAMGQEOCBFLCQA-HNNXBMFYSA-N 1 1 358.442 2.383 50 0 FEAAMO Cc1nc(C)c(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)s1 ZINC000095527827 542981672 /nfs/dbraw/zinc/98/16/72/542981672.db2.gz PEJVUIBKNKNHDZ-QGZVFWFLSA-N 1 1 359.495 2.008 50 0 FEAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1cc(-c2cccnc2)nn1C ZINC000096133504 542992976 /nfs/dbraw/zinc/99/29/76/542992976.db2.gz ONOAYJFJDXHLCF-UHFFFAOYSA-N 1 1 353.430 2.453 50 0 FEAAMO OC[C@@H]1CCC[N@@H+](CCNc2ncnc3c2Cc2ccccc2OC3)C1 ZINC000096149030 542993507 /nfs/dbraw/zinc/99/35/07/542993507.db2.gz DGYTYEGQOVKSPM-OAHLLOKOSA-N 1 1 354.454 2.076 50 0 FEAAMO OC[C@@]12C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]1c1ccccc1OC2 ZINC000096151073 542993576 /nfs/dbraw/zinc/99/35/76/542993576.db2.gz NWZGDVCRJIMERM-DYESRHJHSA-N 1 1 353.418 2.428 50 0 FEAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3oc(C)cc3c2)C[N@@H+]1C ZINC000096151787 542993684 /nfs/dbraw/zinc/99/36/84/542993684.db2.gz LANFWKYROGNZBP-IRXDYDNUSA-N 1 1 357.454 2.412 50 0 FEAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3oc(C)cc3c2)C[N@H+]1C ZINC000096151787 542993687 /nfs/dbraw/zinc/99/36/87/542993687.db2.gz LANFWKYROGNZBP-IRXDYDNUSA-N 1 1 357.454 2.412 50 0 FEAAMO CCC[C@@H]1COCCN1C(=O)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000096165388 542995108 /nfs/dbraw/zinc/99/51/08/542995108.db2.gz NLSGTZRQVMSJHL-GOSISDBHSA-N 1 1 374.485 2.107 50 0 FEAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1cccc2nonc21 ZINC000096299984 542997875 /nfs/dbraw/zinc/99/78/75/542997875.db2.gz XYYHKDKGZBPJDI-UHFFFAOYSA-N 1 1 357.439 2.041 50 0 FEAAMO Cn1nnc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000097681667 543014713 /nfs/dbraw/zinc/01/47/13/543014713.db2.gz RUUZIRBVVNLLIZ-INIZCTEOSA-N 1 1 350.426 2.364 50 0 FEAAMO Cc1ccc2[nH]c(COCC(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000097785439 543017144 /nfs/dbraw/zinc/01/71/44/543017144.db2.gz PSHMVLZBVZPHBP-OAHLLOKOSA-N 1 1 356.470 2.473 50 0 FEAAMO Cc1ccc2nc(COCC(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)[nH]c2c1 ZINC000097785439 543017149 /nfs/dbraw/zinc/01/71/49/543017149.db2.gz PSHMVLZBVZPHBP-OAHLLOKOSA-N 1 1 356.470 2.473 50 0 FEAAMO Cc1ccc2nc(COCC(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)[nH]c2c1 ZINC000097785439 543017154 /nfs/dbraw/zinc/01/71/54/543017154.db2.gz PSHMVLZBVZPHBP-OAHLLOKOSA-N 1 1 356.470 2.473 50 0 FEAAMO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000111371201 543399792 /nfs/dbraw/zinc/39/97/92/543399792.db2.gz IMFATMIUXUXAJO-LJQANCHMSA-N 1 1 355.486 2.157 50 0 FEAAMO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000131630274 544198890 /nfs/dbraw/zinc/19/88/90/544198890.db2.gz AOYCDEYHWFHGRX-OAHLLOKOSA-N 1 1 355.486 2.128 50 0 FEAAMO O=C(NCc1nnc2ccccn21)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080494211 325133082 /nfs/dbraw/zinc/13/30/82/325133082.db2.gz OCXXHDFPNAPDTN-INIZCTEOSA-N 1 1 353.401 2.149 50 0 FEAAMO O=C(NCc1nnc2ccccn21)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080494211 325133085 /nfs/dbraw/zinc/13/30/85/325133085.db2.gz OCXXHDFPNAPDTN-INIZCTEOSA-N 1 1 353.401 2.149 50 0 FEAAMO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000080827175 325145809 /nfs/dbraw/zinc/14/58/09/325145809.db2.gz WJCRFYWMPFMWES-UHFFFAOYSA-N 1 1 352.500 2.295 50 0 FEAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)CN(C)c3ccccc3)cc2C1 ZINC000082100200 519723199 /nfs/dbraw/zinc/72/31/99/519723199.db2.gz DPWWDRKAMXBSKQ-UHFFFAOYSA-N 1 1 369.513 2.497 50 0 FEAAMO CC[NH+]1CCN(C(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000020724401 521663592 /nfs/dbraw/zinc/66/35/92/521663592.db2.gz PWMNRHBNCGTFHT-UHFFFAOYSA-N 1 1 374.872 2.118 50 0 FEAAMO COc1ccc(C(=O)N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3C)CC2)cc1 ZINC000082137681 523645362 /nfs/dbraw/zinc/64/53/62/523645362.db2.gz RFNZLOCRCUQHGN-OAHLLOKOSA-N 1 1 370.453 2.136 50 0 FEAAMO C[N@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@@H]1c1ccccc1 ZINC000089375136 523963467 /nfs/dbraw/zinc/96/34/67/523963467.db2.gz QJWOLSJWGCHULC-AEFFLSMTSA-N 1 1 357.479 2.430 50 0 FEAAMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000091487081 524030274 /nfs/dbraw/zinc/03/02/74/524030274.db2.gz UCZIEKOBHLRSRD-KRWDZBQOSA-N 1 1 366.469 2.448 50 0 FEAAMO Cc1cnn(CCC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000082107790 526259165 /nfs/dbraw/zinc/25/91/65/526259165.db2.gz YKHIWVOSHITQIN-UHFFFAOYSA-N 1 1 352.482 2.283 50 0 FEAAMO CCNc1cc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)[nH+]c(C)n1 ZINC000072433997 535522050 /nfs/dbraw/zinc/52/20/50/535522050.db2.gz ZMENVQCBTNVCQR-UHFFFAOYSA-N 1 1 369.469 2.117 50 0 FEAAMO O=C(NCc1nnc2n1CCCC2)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176040526 546394185 /nfs/dbraw/zinc/39/41/85/546394185.db2.gz ABYRQEFGUFBEIJ-MRXNPFEDSA-N 1 1 357.433 2.034 50 0 FEAAMO O=C(NCc1nnc2n1CCCC2)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176040526 546394189 /nfs/dbraw/zinc/39/41/89/546394189.db2.gz ABYRQEFGUFBEIJ-MRXNPFEDSA-N 1 1 357.433 2.034 50 0 FEAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cn2cc3ccccc3n2)cc1 ZINC000481145336 561226362 /nfs/dbraw/zinc/22/63/62/561226362.db2.gz VODZCCZRKHXXLQ-UHFFFAOYSA-N 1 1 351.410 2.175 50 0 FEAAMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000181560419 547334731 /nfs/dbraw/zinc/33/47/31/547334731.db2.gz PTYMKIPVIULFJN-CQSZACIVSA-N 1 1 362.442 2.418 50 0 FEAAMO Cc1ccnc(-n2nccc2NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000189839311 548312472 /nfs/dbraw/zinc/31/24/72/548312472.db2.gz CJXQYWGSNSPRPR-INIZCTEOSA-N 1 1 372.473 2.054 50 0 FEAAMO COc1cccc(-c2cccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2)c1 ZINC000220512614 548701564 /nfs/dbraw/zinc/70/15/64/548701564.db2.gz HBFIFHWQXXNTAA-UHFFFAOYSA-N 1 1 367.449 2.042 50 0 FEAAMO CCC[N@H+]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC000221407501 548705351 /nfs/dbraw/zinc/70/53/51/548705351.db2.gz MFUKEOQGYXLQQK-SFHVURJKSA-N 1 1 373.497 2.148 50 0 FEAAMO COc1ccc([C@@H](NC(=O)CC[NH+]2CCOCC2)c2ccncc2)cc1 ZINC000223173852 548716680 /nfs/dbraw/zinc/71/66/80/548716680.db2.gz NPEXHIBWLKEAIN-HXUWFJFHSA-N 1 1 355.438 2.018 50 0 FEAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000223374641 548720030 /nfs/dbraw/zinc/72/00/30/548720030.db2.gz ZSYJWPLWZBURHU-MSOLQXFVSA-N 1 1 357.454 2.326 50 0 FEAAMO O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000225416967 548733690 /nfs/dbraw/zinc/73/36/90/548733690.db2.gz BROSYYDBLSXQBO-VQIMIIECSA-N 1 1 368.481 2.167 50 0 FEAAMO Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000229724753 548757095 /nfs/dbraw/zinc/75/70/95/548757095.db2.gz HKUUUIIRVAPQDG-SJORKVTESA-N 1 1 361.511 2.410 50 0 FEAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(N2CCOCC2)c1 ZINC000230496666 548759996 /nfs/dbraw/zinc/75/99/96/548759996.db2.gz CSWPSAUDJWHPRQ-NRFANRHFSA-N 1 1 365.477 2.310 50 0 FEAAMO CN1C(=O)CCC12CCN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811541 548896168 /nfs/dbraw/zinc/89/61/68/548896168.db2.gz SGNQBOBQPCKCII-FQEVSTJZSA-N 1 1 371.525 2.364 50 0 FEAAMO CN1C(=O)CCC12CCN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811541 548896172 /nfs/dbraw/zinc/89/61/72/548896172.db2.gz SGNQBOBQPCKCII-FQEVSTJZSA-N 1 1 371.525 2.364 50 0 FEAAMO Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cn1 ZINC000248689375 549485373 /nfs/dbraw/zinc/48/53/73/549485373.db2.gz IGDGNDPDNHVXLZ-ICSRJNTNSA-N 1 1 352.438 2.047 50 0 FEAAMO Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cn1 ZINC000248689375 549485378 /nfs/dbraw/zinc/48/53/78/549485378.db2.gz IGDGNDPDNHVXLZ-ICSRJNTNSA-N 1 1 352.438 2.047 50 0 FEAAMO Cc1[nH+]ccn1CC(=O)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 ZINC000252536442 549672824 /nfs/dbraw/zinc/67/28/24/549672824.db2.gz IOXOLGBGHMGWRG-VPWXQRGCSA-N 1 1 350.422 2.368 50 0 FEAAMO Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000252552534 549674057 /nfs/dbraw/zinc/67/40/57/549674057.db2.gz UVSGOAMKPUNVKE-UHFFFAOYSA-N 1 1 350.426 2.251 50 0 FEAAMO CC[C@](O)(C(=O)NC[C@H]1CCC[N@H+]1CCOC)c1cccc(Cl)c1 ZINC000252548962 549674281 /nfs/dbraw/zinc/67/42/81/549674281.db2.gz QNLYMADZNCCVOZ-SJLPKXTDSA-N 1 1 354.878 2.165 50 0 FEAAMO CC(C)(C)OC(=O)N1[C@H](C[N@@H+]2CCCC3(C2)OCCO3)COC1(C)C ZINC000253426866 549688835 /nfs/dbraw/zinc/68/88/35/549688835.db2.gz BGVURRGNCIRTNM-CQSZACIVSA-N 1 1 356.463 2.197 50 0 FEAAMO CC(C)(C)OC(=O)N1[C@H](C[N@H+]2CCCC3(C2)OCCO3)COC1(C)C ZINC000253426866 549688838 /nfs/dbraw/zinc/68/88/38/549688838.db2.gz BGVURRGNCIRTNM-CQSZACIVSA-N 1 1 356.463 2.197 50 0 FEAAMO Cc1c[nH+]c(CC[C@@H]2CCCN2C(=O)CN2CCCC2=O)n1CC1CC1 ZINC000257180842 549712272 /nfs/dbraw/zinc/71/22/72/549712272.db2.gz DXFNVYYABJEULE-KRWDZBQOSA-N 1 1 358.486 2.148 50 0 FEAAMO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cccnc2C)CC3)n1 ZINC000257180318 549712529 /nfs/dbraw/zinc/71/25/29/549712529.db2.gz KNMKVXDIOIWVFE-MRXNPFEDSA-N 1 1 355.442 2.381 50 0 FEAAMO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cccnc2C)CC3)n1 ZINC000257180318 549712534 /nfs/dbraw/zinc/71/25/34/549712534.db2.gz KNMKVXDIOIWVFE-MRXNPFEDSA-N 1 1 355.442 2.381 50 0 FEAAMO O=C(C1CCC1)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257180241 549712634 /nfs/dbraw/zinc/71/26/34/549712634.db2.gz KJGNWOJPMOMZGK-LJQANCHMSA-N 1 1 362.514 2.438 50 0 FEAAMO Cc1noc([C@@]23C[N@@H+](CC(C)C)C[C@@H]2CCN(C(=O)c2cccnc2)C3)n1 ZINC000257187013 549713290 /nfs/dbraw/zinc/71/32/90/549713290.db2.gz LEGNIUKCUZBFMK-FXAWDEMLSA-N 1 1 369.469 2.145 50 0 FEAAMO OCCC[N@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257190261 549714264 /nfs/dbraw/zinc/71/42/64/549714264.db2.gz LVBLWZXUORTNAE-HXUWFJFHSA-N 1 1 369.513 2.320 50 0 FEAAMO OCCC[N@@H+]1CCCn2ccnc2[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000257190261 549714269 /nfs/dbraw/zinc/71/42/69/549714269.db2.gz LVBLWZXUORTNAE-HXUWFJFHSA-N 1 1 369.513 2.320 50 0 FEAAMO OCCC[N@H+]1CCCn2ccnc2[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000257190261 549714271 /nfs/dbraw/zinc/71/42/71/549714271.db2.gz LVBLWZXUORTNAE-HXUWFJFHSA-N 1 1 369.513 2.320 50 0 FEAAMO CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000502477916 561619483 /nfs/dbraw/zinc/61/94/83/561619483.db2.gz GVIWSNQJGOVRMZ-WMLDXEAASA-N 1 1 357.458 2.027 50 0 FEAAMO CN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000299754440 553610622 /nfs/dbraw/zinc/61/06/22/553610622.db2.gz ORJWKYZXZHZGBX-GMNCBBECSA-N 1 1 374.533 2.202 50 0 FEAAMO CCCc1ncncc1C(=O)N1CCCC[C@H]1CC[NH+]1CCN(C)CC1 ZINC000299758290 553611150 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2.389 50 0 FEAAMO O=C(NCCF)c1cccc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000426535690 559737137 /nfs/dbraw/zinc/73/71/37/559737137.db2.gz JRJAELWYNDDZMS-FQEVSTJZSA-N 1 1 372.440 2.419 50 0 FEAAMO CSc1cccc(CN(C)C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000426544406 559737456 /nfs/dbraw/zinc/73/74/56/559737456.db2.gz OYZXEOWFAVFNJO-MRXNPFEDSA-N 1 1 351.516 2.397 50 0 FEAAMO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000426548369 559737649 /nfs/dbraw/zinc/73/76/49/559737649.db2.gz AXXLDQPQGLCDSW-AQDCRGGLSA-N 1 1 356.514 2.369 50 0 FEAAMO CCc1[nH+]ccn1CCNC(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000534648492 562539178 /nfs/dbraw/zinc/53/91/78/562539178.db2.gz KWEROOWCRASUCC-QGZVFWFLSA-N 1 1 357.458 2.231 50 0 FEAAMO COc1ccc(CN(C(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000534676136 562540103 /nfs/dbraw/zinc/54/01/03/562540103.db2.gz ZROJNSWQXJNTRT-QGZVFWFLSA-N 1 1 374.529 2.395 50 0 FEAAMO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000084544239 571088649 /nfs/dbraw/zinc/08/86/49/571088649.db2.gz QLGHUPGMYUCMOM-PMACEKPBSA-N 1 1 371.525 2.314 50 0 FEAAMO CCn1cc(S(=O)(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cn1 ZINC000033312318 571147222 /nfs/dbraw/zinc/14/72/22/571147222.db2.gz LKTGPNROGRUDJU-HNNXBMFYSA-N 1 1 354.520 2.036 50 0 FEAAMO CCc1nc(C)sc1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000584892423 571314869 /nfs/dbraw/zinc/31/48/69/571314869.db2.gz PDEGZNBWQJFCHQ-OAHLLOKOSA-N 1 1 366.531 2.410 50 0 FEAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1ccc(-c2cc(C)n[nH]c2=O)cc1 ZINC000584892401 571314874 /nfs/dbraw/zinc/31/48/74/571314874.db2.gz QFWBMHDLMXXLNS-UHFFFAOYSA-N 1 1 351.410 2.435 50 0 FEAAMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000584898469 571315780 /nfs/dbraw/zinc/31/57/80/571315780.db2.gz KQLAGBGKENYYFQ-AWEZNQCLSA-N 1 1 364.515 2.088 50 0 FEAAMO C[N@H+]1CC[C@@H](NC(=O)N(CCO)CCSc2ccc(Cl)cc2)C1 ZINC000584898678 571315925 /nfs/dbraw/zinc/31/59/25/571315925.db2.gz XEPGYHBYGHPXNF-CQSZACIVSA-N 1 1 357.907 2.140 50 0 FEAAMO Cc1cc(C)n2c(nnc2C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000670465644 571358525 /nfs/dbraw/zinc/35/85/25/571358525.db2.gz PFJAUAAJGOMJNM-AWEZNQCLSA-N 1 1 370.482 2.197 50 0 FEAAMO O[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1N1CCOCC1 ZINC000020774918 670030759 /nfs/dbraw/zinc/03/07/59/670030759.db2.gz POMRALCHMACLOP-ROUUACIJSA-N 1 1 362.857 2.477 50 0 FEAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3cc(CO)cs3)CC2)C[C@H](C)O1 ZINC000952984814 681794890 /nfs/dbraw/zinc/79/48/90/681794890.db2.gz NJWIQAUCJGQIIF-MRINAFOASA-N 1 1 364.511 2.354 50 0 FEAAMO CN1CCC[N@@H+](C)CC12CCN(C(=O)Cn1ccc3ccccc31)CC2 ZINC000299800103 530053846 /nfs/dbraw/zinc/05/38/46/530053846.db2.gz ZYYQSOZOMXTZAP-UHFFFAOYSA-N 1 1 354.498 2.270 50 0 FEAAMO CN1CCC[N@H+](C)C2(CCN(C(=O)Cn3ccc4ccccc43)CC2)C1 ZINC000299800103 530053847 /nfs/dbraw/zinc/05/38/47/530053847.db2.gz ZYYQSOZOMXTZAP-UHFFFAOYSA-N 1 1 354.498 2.270 50 0 FEAAMO CN1CCC[N@@H+](C)C2(CCN(C(=O)Cn3ccc4ccccc43)CC2)C1 ZINC000299800103 530053848 /nfs/dbraw/zinc/05/38/48/530053848.db2.gz ZYYQSOZOMXTZAP-UHFFFAOYSA-N 1 1 354.498 2.270 50 0 FEAAMO COc1ccc(Cl)cc1NC(=O)C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O ZINC000005578812 539413065 /nfs/dbraw/zinc/41/30/65/539413065.db2.gz GIGBJGXMBLJKEO-BZPMIXESSA-N 1 1 351.834 2.076 50 0 FEAAMO Cn1cnnc1SCC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000011814611 539535171 /nfs/dbraw/zinc/53/51/71/539535171.db2.gz VZWYPMWWGNIXCR-KRWDZBQOSA-N 1 1 373.526 2.073 50 0 FEAAMO COc1cc(C[NH2+]C2CCC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012429375 539559395 /nfs/dbraw/zinc/55/93/95/539559395.db2.gz NRNDQOJLRZTZEV-QGZVFWFLSA-N 1 1 366.527 2.126 50 0 FEAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000014068151 539594265 /nfs/dbraw/zinc/59/42/65/539594265.db2.gz OSBFJGOJBRIXCZ-UHFFFAOYSA-N 1 1 364.442 2.136 50 0 FEAAMO Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016585848 539634012 /nfs/dbraw/zinc/63/40/12/539634012.db2.gz UZSGLOPUIXTIGB-CQSZACIVSA-N 1 1 361.467 2.101 50 0 FEAAMO O=c1c([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)nc2n1CCS2 ZINC000020623243 539676422 /nfs/dbraw/zinc/67/64/22/539676422.db2.gz RGEDCDYRNXHDGN-AWEZNQCLSA-N 1 1 374.853 2.424 50 0 FEAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1C1CCCCC1 ZINC000019881641 539670778 /nfs/dbraw/zinc/67/07/78/539670778.db2.gz SYPQXOZXMBBHPQ-IBGZPJMESA-N 1 1 355.482 2.264 50 0 FEAAMO CCOC(=O)C1(CCOC)CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000020775582 539677726 /nfs/dbraw/zinc/67/77/26/539677726.db2.gz HSRZZEIKKPFHSS-UHFFFAOYSA-N 1 1 355.504 2.391 50 0 FEAAMO COc1cccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000021055926 539679638 /nfs/dbraw/zinc/67/96/38/539679638.db2.gz ZMKIZSPQMKEIBS-OKILXGFUSA-N 1 1 350.459 2.321 50 0 FEAAMO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000021055926 539679641 /nfs/dbraw/zinc/67/96/41/539679641.db2.gz ZMKIZSPQMKEIBS-OKILXGFUSA-N 1 1 350.459 2.321 50 0 FEAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cccs3)sc2C1 ZINC000021296752 539681868 /nfs/dbraw/zinc/68/18/68/539681868.db2.gz SPPWDGAGSQHCKI-JTQLQIEISA-N 1 1 364.496 2.340 50 0 FEAAMO CC[N@H+]1CCc2nc(NC(=O)[C@H](C)NC(=O)c3cccs3)sc2C1 ZINC000021296752 539681870 /nfs/dbraw/zinc/68/18/70/539681870.db2.gz SPPWDGAGSQHCKI-JTQLQIEISA-N 1 1 364.496 2.340 50 0 FEAAMO CCOC(=O)c1oc2ccc(Cl)cc2c1CN1CC[NH+](CCO)CC1 ZINC000023116778 539706778 /nfs/dbraw/zinc/70/67/78/539706778.db2.gz VSYJQGHSJKKKRL-UHFFFAOYSA-N 1 1 366.845 2.373 50 0 FEAAMO CC[NH+]1CCN(C2(C(=O)NCCCSC)Cc3ccccc3C2)CC1 ZINC000023360150 539711923 /nfs/dbraw/zinc/71/19/23/539711923.db2.gz ZCNIMFDHMMBVGN-UHFFFAOYSA-N 1 1 361.555 2.031 50 0 FEAAMO CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1)[NH+]1CCOCC1 ZINC000024843110 539743052 /nfs/dbraw/zinc/74/30/52/539743052.db2.gz LNQJGMJNDAZZSN-IBGZPJMESA-N 1 1 356.470 2.349 50 0 FEAAMO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000027617237 539812967 /nfs/dbraw/zinc/81/29/67/539812967.db2.gz XPJHHVPQZNYJFB-QGZVFWFLSA-N 1 1 370.453 2.244 50 0 FEAAMO COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)[NH+](C)C ZINC000032695300 539947786 /nfs/dbraw/zinc/94/77/86/539947786.db2.gz LPEJJVLNRNBNMZ-QGZVFWFLSA-N 1 1 367.453 2.252 50 0 FEAAMO O=C(C[N@@H+]1CCCN(c2ncnc3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000032765340 539951782 /nfs/dbraw/zinc/95/17/82/539951782.db2.gz PXPXKDPDTOKVNW-UHFFFAOYSA-N 1 1 373.888 2.418 50 0 FEAAMO CNC(=O)C1CC[NH+](Cc2nc3ccccc3c(C)c2C(=O)OC)CC1 ZINC000032858110 539955892 /nfs/dbraw/zinc/95/58/92/539955892.db2.gz ITVRNODEQDGAIJ-UHFFFAOYSA-N 1 1 355.438 2.288 50 0 FEAAMO O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000034781228 539977874 /nfs/dbraw/zinc/97/78/74/539977874.db2.gz FWXRYDHZTLMKQN-UHFFFAOYSA-N 1 1 362.295 2.318 50 0 FEAAMO C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)no1 ZINC000067946677 541531928 /nfs/dbraw/zinc/53/19/28/541531928.db2.gz BIKYGXMXEHPWGK-HXUWFJFHSA-N 1 1 357.454 2.336 50 0 FEAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000070014756 541730565 /nfs/dbraw/zinc/73/05/65/541730565.db2.gz STINEQGIKPJKKJ-AWEZNQCLSA-N 1 1 373.478 2.096 50 0 FEAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134312 541786156 /nfs/dbraw/zinc/78/61/56/541786156.db2.gz FQDYACAKFDBNDR-CQSZACIVSA-N 1 1 351.882 2.415 50 0 FEAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134312 541786158 /nfs/dbraw/zinc/78/61/58/541786158.db2.gz FQDYACAKFDBNDR-CQSZACIVSA-N 1 1 351.882 2.415 50 0 FEAAMO CCS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000072145502 541787818 /nfs/dbraw/zinc/78/78/18/541787818.db2.gz ADDCHFILVAZQFX-GOSISDBHSA-N 1 1 370.490 2.472 50 0 FEAAMO CCS(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000072145502 541787819 /nfs/dbraw/zinc/78/78/19/541787819.db2.gz ADDCHFILVAZQFX-GOSISDBHSA-N 1 1 370.490 2.472 50 0 FEAAMO Cc1c2ccccc2sc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072164044 541793552 /nfs/dbraw/zinc/79/35/52/541793552.db2.gz GFOIPIZKXRUENA-HNNXBMFYSA-N 1 1 357.479 2.246 50 0 FEAAMO CN(C)C(=O)C[N@H+](C)C[C@H]1CC[C@@H](Cc2ccc(C(F)(F)F)nc2)O1 ZINC000072436741 541814386 /nfs/dbraw/zinc/81/43/86/541814386.db2.gz DJWLIXBDGXRSMF-UONOGXRCSA-N 1 1 359.392 2.211 50 0 FEAAMO CN(C)C(=O)C[N@@H+](C)C[C@H]1CC[C@@H](Cc2ccc(C(F)(F)F)nc2)O1 ZINC000072436741 541814389 /nfs/dbraw/zinc/81/43/89/541814389.db2.gz DJWLIXBDGXRSMF-UONOGXRCSA-N 1 1 359.392 2.211 50 0 FEAAMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3ccnc3)C2)n1 ZINC000072454619 541816880 /nfs/dbraw/zinc/81/68/80/541816880.db2.gz NPJLPPFPCPMYAJ-AZUAARDMSA-N 1 1 367.497 2.490 50 0 FEAAMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072462959 541816977 /nfs/dbraw/zinc/81/69/77/541816977.db2.gz BJCPOMGSUBWPCM-OAQYLSRUSA-N 1 1 372.513 2.153 50 0 FEAAMO CCN1C[C@]2(CCC[N@@H+](Cc3cc(=O)n4ccc(C)cc4n3)C2)CCC1=O ZINC000072462962 541818096 /nfs/dbraw/zinc/81/80/96/541818096.db2.gz XIWRUAYFEDHELX-OAQYLSRUSA-N 1 1 368.481 2.227 50 0 FEAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000002303317 204033131 /nfs/dbraw/zinc/03/31/31/204033131.db2.gz JZLKIKCXUABCET-CQSZACIVSA-N 1 1 373.453 2.438 50 0 FEAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000003285184 204086988 /nfs/dbraw/zinc/08/69/88/204086988.db2.gz NXXKZZCVFBYUSY-UHFFFAOYSA-N 1 1 367.449 2.401 50 0 FEAAMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000006712138 204261882 /nfs/dbraw/zinc/26/18/82/204261882.db2.gz GKUATSRPEOVIQE-UHFFFAOYSA-N 1 1 361.467 2.007 50 0 FEAAMO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000006712138 204261886 /nfs/dbraw/zinc/26/18/86/204261886.db2.gz GKUATSRPEOVIQE-UHFFFAOYSA-N 1 1 361.467 2.007 50 0 FEAAMO CNC(=O)c1ccc(C[N@H+](C)CC(=O)N2CCc3ccccc3C2)cc1 ZINC000007880644 204309766 /nfs/dbraw/zinc/30/97/66/204309766.db2.gz DBXJECYDZRDJKK-UHFFFAOYSA-N 1 1 351.450 2.063 50 0 FEAAMO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CCc3ccccc3C2)cc1 ZINC000007880644 204309767 /nfs/dbraw/zinc/30/97/67/204309767.db2.gz DBXJECYDZRDJKK-UHFFFAOYSA-N 1 1 351.450 2.063 50 0 FEAAMO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318291 204326371 /nfs/dbraw/zinc/32/63/71/204326371.db2.gz FVYKQEUUOFYYDP-AWEZNQCLSA-N 1 1 361.442 2.219 50 0 FEAAMO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318291 204326375 /nfs/dbraw/zinc/32/63/75/204326375.db2.gz FVYKQEUUOFYYDP-AWEZNQCLSA-N 1 1 361.442 2.219 50 0 FEAAMO Cc1cc(F)ccc1NC(=O)CCc1c(C)nc2nc(C[NH3+])nn2c1C ZINC000009407426 204367314 /nfs/dbraw/zinc/36/73/14/204367314.db2.gz CFWXHVWCDYPMJJ-UHFFFAOYSA-N 1 1 356.405 2.219 50 0 FEAAMO CCOc1ccccc1NC(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000009500983 204371190 /nfs/dbraw/zinc/37/11/90/204371190.db2.gz JBBVTNNVFARNQS-UHFFFAOYSA-N 1 1 355.438 2.401 50 0 FEAAMO CCOc1ccccc1NC(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000009500983 204371196 /nfs/dbraw/zinc/37/11/96/204371196.db2.gz JBBVTNNVFARNQS-UHFFFAOYSA-N 1 1 355.438 2.401 50 0 FEAAMO O=S(=O)([N-]CCCN1CCOCC1)c1cc(Cl)sc1Cl ZINC000038638392 205040904 /nfs/dbraw/zinc/04/09/04/205040904.db2.gz HONIRHRLUNJLQY-UHFFFAOYSA-N 1 1 359.300 2.056 50 0 FEAAMO CC1(C)NC(=O)N(CCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)C1=O ZINC000041626460 205091654 /nfs/dbraw/zinc/09/16/54/205091654.db2.gz ODSMLIMVXVQUER-CQSZACIVSA-N 1 1 365.499 2.450 50 0 FEAAMO O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000049992555 205176126 /nfs/dbraw/zinc/17/61/26/205176126.db2.gz SNXZPASXWVFKMK-IBGZPJMESA-N 1 1 351.450 2.266 50 0 FEAAMO Cc1cc(C[N@H+](C)[C@H](C)C(=O)NC(N)=O)cc(C)c1OCC(F)(F)F ZINC000054395059 205200681 /nfs/dbraw/zinc/20/06/81/205200681.db2.gz WUQWZFBYXRAUMP-LLVKDONJSA-N 1 1 361.364 2.260 50 0 FEAAMO CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055036061 205204246 /nfs/dbraw/zinc/20/42/46/205204246.db2.gz CSGLBMNMNNBUPC-IUYMFKLXSA-N 1 1 357.498 2.382 50 0 FEAAMO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055089318 205205861 /nfs/dbraw/zinc/20/58/61/205205861.db2.gz JVPAMIVTEYYDMD-HNNXBMFYSA-N 1 1 374.485 2.260 50 0 FEAAMO 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C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCCC2)C(=O)C1)c1ccco1 ZINC000534670138 562539937 /nfs/dbraw/zinc/53/99/37/562539937.db2.gz AVILLTWPGBFUSQ-INIZCTEOSA-N 1 1 362.474 2.069 50 0 FEAAMO O=C(C1CC[NH+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCCCC1 ZINC000101080913 570805740 /nfs/dbraw/zinc/80/57/40/570805740.db2.gz FFNSMUCLAWQRTL-HDICACEKSA-N 1 1 373.497 2.010 50 0 FEAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670472612 571053264 /nfs/dbraw/zinc/05/32/64/571053264.db2.gz WMGAMECRNQGOAC-GOSISDBHSA-N 1 1 351.535 2.401 50 0 FEAAMO CC(C)N1CCO[C@H](CC(=O)NCC2([NH+]3CCCCC3)CCCC2)C1 ZINC000670472612 571053270 /nfs/dbraw/zinc/05/32/70/571053270.db2.gz WMGAMECRNQGOAC-GOSISDBHSA-N 1 1 351.535 2.401 50 0 FEAAMO Cn1nccc1[C@@H]1CCCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685941377 571100886 /nfs/dbraw/zinc/10/08/86/571100886.db2.gz AYXVTFFAHFQIQR-KRWDZBQOSA-N 1 1 356.474 2.320 50 0 FEAAMO COc1ccc(-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cn1 ZINC000426415227 571222279 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C[C@H]1C[NH+](C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000020102224 539672741 /nfs/dbraw/zinc/67/27/41/539672741.db2.gz JMVYXOPKPKIJOX-HOTGVXAUSA-N 1 1 352.500 2.090 50 0 FEAAMO COc1cc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020324780 539674546 /nfs/dbraw/zinc/67/45/46/539674546.db2.gz LOBBIZUACNQMOD-KRWDZBQOSA-N 1 1 362.470 2.235 50 0 FEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc32)C[C@H](C)O1 ZINC000021057207 539679504 /nfs/dbraw/zinc/67/95/04/539679504.db2.gz CMAQTJUHSAJARI-KBPBESRZSA-N 1 1 357.454 2.146 50 0 FEAAMO COc1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1OC ZINC000020915955 539678400 /nfs/dbraw/zinc/67/84/00/539678400.db2.gz MAQZGPSCPFWGLZ-INIZCTEOSA-N 1 1 358.442 2.205 50 0 FEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1OC ZINC000020915955 539678404 /nfs/dbraw/zinc/67/84/04/539678404.db2.gz MAQZGPSCPFWGLZ-INIZCTEOSA-N 1 1 358.442 2.205 50 0 FEAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000022912717 539702731 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Cc1ccc(C)c(C(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)c1 ZINC000067629507 205377555 /nfs/dbraw/zinc/37/75/55/205377555.db2.gz NIJOPKWFCWOOJZ-UHFFFAOYSA-N 1 1 350.426 2.429 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)NCC[C@H]2CCC[N@H+]2C)no1 ZINC000067692544 205383269 /nfs/dbraw/zinc/38/32/69/205383269.db2.gz FFAHOVRNRVVBEO-CQSZACIVSA-N 1 1 359.426 2.476 50 0 FEAAMO CC(C)(C)c1ncc2c(n1)CN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000067713188 205385149 /nfs/dbraw/zinc/38/51/49/205385149.db2.gz KOBLYDWIJVQWHI-UHFFFAOYSA-N 1 1 354.458 2.045 50 0 FEAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2C)OCCO3)C1 ZINC000067756900 205389027 /nfs/dbraw/zinc/38/90/27/205389027.db2.gz WMEWXVGVJQFGOM-CQSZACIVSA-N 1 1 358.442 2.051 50 0 FEAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000067803746 205392594 /nfs/dbraw/zinc/39/25/94/205392594.db2.gz LRLFCDVODFPJOR-AWEZNQCLSA-N 1 1 359.426 2.334 50 0 FEAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000067803746 205392597 /nfs/dbraw/zinc/39/25/97/205392597.db2.gz LRLFCDVODFPJOR-AWEZNQCLSA-N 1 1 359.426 2.334 50 0 FEAAMO CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)[C@H]1CC[N@@H+](C)C1 ZINC000071551812 205431234 /nfs/dbraw/zinc/43/12/34/205431234.db2.gz VXVOQIQANGAGPF-AWEZNQCLSA-N 1 1 361.515 2.158 50 0 FEAAMO Cc1[nH][nH]c(=O)c1CC(=O)N(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072161741 205490788 /nfs/dbraw/zinc/49/07/88/205490788.db2.gz CDOISHGLEKBLJJ-GOSISDBHSA-N 1 1 370.497 2.110 50 0 FEAAMO Cc1cccc([C@H](C(=O)NCCc2nc(-c3ccccn3)no2)[NH+](C)C)c1 ZINC000095387066 205750500 /nfs/dbraw/zinc/75/05/00/205750500.db2.gz DYEUJVBDKVCOFJ-GOSISDBHSA-N 1 1 365.437 2.402 50 0 FEAAMO Cc1cc(CN(C)C(=O)[C@@H]2COCC[NH2+]2)cc(C)c1OCC(F)(F)F ZINC000237250189 206094082 /nfs/dbraw/zinc/09/40/82/206094082.db2.gz KELVRSYCKKWPON-AWEZNQCLSA-N 1 1 360.376 2.191 50 0 FEAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)CSc2ccccc2)C1 ZINC000004029823 206165729 /nfs/dbraw/zinc/16/57/29/206165729.db2.gz AWTOWIPJXQJRGL-GVDBMIGSSA-N 1 1 356.491 2.421 50 0 biogenic FEAAMO CCOc1ccccc1CN1CC[N@@H+](CCCn2cccn2)C[C@H]1CCO ZINC000104409089 206238589 /nfs/dbraw/zinc/23/85/89/206238589.db2.gz SCLQKAYITKVKPE-HXUWFJFHSA-N 1 1 372.513 2.241 50 0 FEAAMO CN(C)C(=O)N1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000193764063 206328804 /nfs/dbraw/zinc/32/88/04/206328804.db2.gz RPNWPVMAXVNPBT-GOSISDBHSA-N 1 1 372.513 2.018 50 0 FEAAMO Cc1noc(C)c1CO[C@@H]1COCC[C@H]1Nc1nc(N)[nH+]c(C)c1Cl ZINC000218938678 206376173 /nfs/dbraw/zinc/37/61/73/206376173.db2.gz UUPYGPZVMSFQQK-CHWSQXEVSA-N 1 1 367.837 2.412 50 0 FEAAMO Cn1nccc1CCC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000216418736 206359143 /nfs/dbraw/zinc/35/91/43/206359143.db2.gz QWNOOAIEEXBDJB-UHFFFAOYSA-N 1 1 362.424 2.412 50 0 FEAAMO O=C([O-])C[C@H]1CCCC[N@H+]1Cc1ccccc1OCCN1CCOCC1 ZINC000216475884 206359395 /nfs/dbraw/zinc/35/93/95/206359395.db2.gz ZSZCJBSEGIJEFN-GOSISDBHSA-N 1 1 362.470 2.227 50 0 FEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(NC(N)=O)cc2)CC1 ZINC000022231097 206368659 /nfs/dbraw/zinc/36/86/59/206368659.db2.gz RIBFZGRMKKNKSM-UHFFFAOYSA-N 1 1 352.438 2.444 50 0 FEAAMO COc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000075108038 542152652 /nfs/dbraw/zinc/15/26/52/542152652.db2.gz MNHJYSLUPSOYHL-UHFFFAOYSA-N 1 1 352.431 2.421 50 0 FEAAMO CC(C)(C)C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403618 542177366 /nfs/dbraw/zinc/17/73/66/542177366.db2.gz LXTZCFMKMYEIEP-GOSISDBHSA-N 1 1 357.498 2.368 50 0 FEAAMO CC(C)(C)C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403618 542177369 /nfs/dbraw/zinc/17/73/69/542177369.db2.gz LXTZCFMKMYEIEP-GOSISDBHSA-N 1 1 357.498 2.368 50 0 FEAAMO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2)n1 ZINC000252528018 206579586 /nfs/dbraw/zinc/57/95/86/206579586.db2.gz DYHLXPFFIHQRJG-DLBZAZTESA-N 1 1 371.485 2.408 50 0 FEAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCN(Cc2cc(C)cc(C)c2)C(=O)C1 ZINC000077426123 542380836 /nfs/dbraw/zinc/38/08/36/542380836.db2.gz OLNWRUUSMBAVBJ-MRXNPFEDSA-N 1 1 354.454 2.240 50 0 FEAAMO CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000058419426 221118519 /nfs/dbraw/zinc/11/85/19/221118519.db2.gz FDYFKGZJUUYIPM-HNNXBMFYSA-N 1 1 365.499 2.024 50 0 FEAAMO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000082145837 542685662 /nfs/dbraw/zinc/68/56/62/542685662.db2.gz YWKLUCROQNYVDG-HNNXBMFYSA-N 1 1 370.501 2.460 50 0 FEAAMO CC(C)n1ccnc1C[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)CC1 ZINC000082145837 542685668 /nfs/dbraw/zinc/68/56/68/542685668.db2.gz YWKLUCROQNYVDG-HNNXBMFYSA-N 1 1 370.501 2.460 50 0 FEAAMO COCCn1cc[nH+]c1[C@@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000091745956 132203709 /nfs/dbraw/zinc/20/37/09/132203709.db2.gz GMZDDUFKEQZSCS-MRXNPFEDSA-N 1 1 356.474 2.304 50 0 FEAAMO CCc1cnc(C)nc1N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000092045488 132205675 /nfs/dbraw/zinc/20/56/75/132205675.db2.gz QMPHVNNUSHOLPE-GOSISDBHSA-N 1 1 371.529 2.261 50 0 FEAAMO O[C@@H]1CCN(c2cc[nH+]c(N3CCC(Oc4cccc(F)c4)CC3)n2)C1 ZINC000095506133 132212732 /nfs/dbraw/zinc/21/27/32/132212732.db2.gz HDFBAIDWKLMJJH-OAHLLOKOSA-N 1 1 358.417 2.235 50 0 FEAAMO Cc1cccc(OC2CCN(c3nc(N4CC[C@H](O)C4)cc[nH+]3)CC2)c1 ZINC000095531119 132215322 /nfs/dbraw/zinc/21/53/22/132215322.db2.gz VQOTWZDNRNVRHN-INIZCTEOSA-N 1 1 354.454 2.404 50 0 FEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000170613771 132264910 /nfs/dbraw/zinc/26/49/10/132264910.db2.gz TZKYNUNTCGQBNH-KSZLIROESA-N 1 1 357.502 2.074 50 0 FEAAMO NC(=O)COc1cccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)c1 ZINC000222314636 132276798 /nfs/dbraw/zinc/27/67/98/132276798.db2.gz UHNLSPAXBDVPII-UHFFFAOYSA-N 1 1 361.392 2.151 50 0 FEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN(c2ncccn2)C1 ZINC000238937183 132289283 /nfs/dbraw/zinc/28/92/83/132289283.db2.gz TZKYNUNTCGQBNH-BZSNNMDCSA-N 1 1 357.502 2.074 50 0 FEAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCNC(=O)c1ccc(F)cc1)C2 ZINC000091350760 542805740 /nfs/dbraw/zinc/80/57/40/542805740.db2.gz DELOSAXVYYZLJX-CRAIPNDOSA-N 1 1 361.461 2.278 50 0 FEAAMO CN1CC[C@]2(CN(Cc3ccc(-n4ccnc4)cc3)CC[N@H+]2C)CCC1=O ZINC000091390836 542805923 /nfs/dbraw/zinc/80/59/23/542805923.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 1 1 367.497 2.001 50 0 FEAAMO CN1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091390836 542805927 /nfs/dbraw/zinc/80/59/27/542805927.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 1 1 367.497 2.001 50 0 FEAAMO CN1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091390836 542805931 /nfs/dbraw/zinc/80/59/31/542805931.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 1 1 367.497 2.001 50 0 FEAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccnc1)CC2 ZINC000091537045 542811387 /nfs/dbraw/zinc/81/13/87/542811387.db2.gz PLEJFIPFHPXKSB-UHFFFAOYSA-N 1 1 365.481 2.481 50 0 FEAAMO CCN1CC[C@]2(CN(C(=O)NCC3CCCCC3)CC[N@H+]2C)CCC1=O ZINC000091574573 542813336 /nfs/dbraw/zinc/81/33/36/542813336.db2.gz HZTSJCJZOWBTQM-FQEVSTJZSA-N 1 1 364.534 2.295 50 0 FEAAMO Cc1ccc2[nH]c(C[N@@H+]3CCCN(C(=O)[C@H]4CCCO4)CC3)cc(=O)c2c1 ZINC000091620063 542816206 /nfs/dbraw/zinc/81/62/06/542816206.db2.gz OBXRNGPFNCGRNR-HXUWFJFHSA-N 1 1 369.465 2.050 50 0 FEAAMO Cc1ccc2[nH]c(C[N@H+]3CCCN(C(=O)[C@H]4CCCO4)CC3)cc(=O)c2c1 ZINC000091620063 542816209 /nfs/dbraw/zinc/81/62/09/542816209.db2.gz OBXRNGPFNCGRNR-HXUWFJFHSA-N 1 1 369.465 2.050 50 0 FEAAMO O=C(c1ccc2nccnc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091656332 542818060 /nfs/dbraw/zinc/81/80/60/542818060.db2.gz PWTREKMBBAHZDI-MAUKXSAKSA-N 1 1 366.465 2.345 50 0 FEAAMO CCc1ccccc1OCCN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091770228 542825444 /nfs/dbraw/zinc/82/54/44/542825444.db2.gz PCZYETNIJDSVFO-NRFANRHFSA-N 1 1 359.514 2.256 50 0 FEAAMO Cc1noc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000091877266 542829920 /nfs/dbraw/zinc/82/99/20/542829920.db2.gz USNQMUKDQHCPIN-UHFFFAOYSA-N 1 1 355.442 2.178 50 0 FEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(CC)n1)CC2 ZINC000091848220 542828544 /nfs/dbraw/zinc/82/85/44/542828544.db2.gz NAYAKWBLQZTBAM-UHFFFAOYSA-N 1 1 370.501 2.416 50 0 FEAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ncnn21 ZINC000091848995 542828586 /nfs/dbraw/zinc/82/85/86/542828586.db2.gz QARDNMWDIZWDGO-INIZCTEOSA-N 1 1 364.453 2.252 50 0 FEAAMO COCCn1cncc1C[N@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091907023 542832325 /nfs/dbraw/zinc/83/23/25/542832325.db2.gz URZMHMRDDJKYAY-HXUWFJFHSA-N 1 1 360.502 2.287 50 0 FEAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000091988232 542835631 /nfs/dbraw/zinc/83/56/31/542835631.db2.gz IWWQBXCWMATZGI-LJQANCHMSA-N 1 1 351.450 2.167 50 0 FEAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(SC)cc2)C1 ZINC000092004593 542836684 /nfs/dbraw/zinc/83/66/84/542836684.db2.gz GVYAAZCTUBPXBN-CVEARBPZSA-N 1 1 366.527 2.057 50 0 FEAAMO COCCn1cncc1C[N@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092045757 542841464 /nfs/dbraw/zinc/84/14/64/542841464.db2.gz QQZFXJPSWCFICA-HXUWFJFHSA-N 1 1 360.502 2.144 50 0 FEAAMO Cn1ncc2c1ncnc2N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000058180088 136130747 /nfs/dbraw/zinc/13/07/47/136130747.db2.gz JCJPXZVYXRQSRR-UHFFFAOYSA-N 1 1 356.861 2.381 50 0 FEAAMO Cc1ccc([C@@H](CNC(=O)c2cnc(-c3cccnc3)nc2)[NH+](C)C)o1 ZINC000095371160 542962512 /nfs/dbraw/zinc/96/25/12/542962512.db2.gz OUXXVPKSLFRUKO-MRXNPFEDSA-N 1 1 351.410 2.473 50 0 FEAAMO Cc1ccc2nc(C(=O)N3CCCC[C@H]3CC[NH+]3CCOCC3)c(F)n2c1 ZINC000095374548 542963749 /nfs/dbraw/zinc/96/37/49/542963749.db2.gz SXSCHFFUWDYNEP-INIZCTEOSA-N 1 1 374.460 2.499 50 0 FEAAMO c1coc(-c2nc3c(c(N4CCOCC4)n2)CC[N@@H+](CC2CC2)CC3)c1 ZINC000072428247 136146661 /nfs/dbraw/zinc/14/66/61/136146661.db2.gz PHCOYMKKGQTRQF-UHFFFAOYSA-N 1 1 354.454 2.384 50 0 FEAAMO Nc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)nc[nH+]1 ZINC000072428984 136146821 /nfs/dbraw/zinc/14/68/21/136146821.db2.gz BDDQKIRAGUATCX-DZGCQCFKSA-N 1 1 357.483 2.180 50 0 FEAAMO CCCc1n[nH]cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095352108 542957797 /nfs/dbraw/zinc/95/77/97/542957797.db2.gz DYPFLOCOICBUFE-DLBZAZTESA-N 1 1 353.470 2.494 50 0 FEAAMO O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095356610 542958158 /nfs/dbraw/zinc/95/81/58/542958158.db2.gz WIDSVCDWMHWOKK-DOTOQJQBSA-N 1 1 362.437 2.090 50 0 FEAAMO O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095356610 542958160 /nfs/dbraw/zinc/95/81/60/542958160.db2.gz WIDSVCDWMHWOKK-DOTOQJQBSA-N 1 1 362.437 2.090 50 0 FEAAMO CN(C)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095355165 542958190 /nfs/dbraw/zinc/95/81/90/542958190.db2.gz KZJFNXFJIALQCG-FUHWJXTLSA-N 1 1 357.498 2.468 50 0 FEAAMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)ccc1F ZINC000095360058 542958992 /nfs/dbraw/zinc/95/89/92/542958992.db2.gz VXZDUJGAHFTIQU-HZPDHXFCSA-N 1 1 370.428 2.361 50 0 FEAAMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)ccc1F ZINC000095360058 542958993 /nfs/dbraw/zinc/95/89/93/542958993.db2.gz VXZDUJGAHFTIQU-HZPDHXFCSA-N 1 1 370.428 2.361 50 0 FEAAMO CC(C)n1cncc1C[N@H+]1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000095357897 542959511 /nfs/dbraw/zinc/95/95/11/542959511.db2.gz LGSTYDNBDUMEFM-WIYYLYMNSA-N 1 1 374.529 2.440 50 0 FEAAMO Cc1ccccc1CSc1nc(N2CCC[C@@](O)(CO)CC2)cc(N)[nH+]1 ZINC000095361872 542960275 /nfs/dbraw/zinc/96/02/75/542960275.db2.gz ZKERBEKSBYOOAL-IBGZPJMESA-N 1 1 374.510 2.373 50 0 FEAAMO Cc1ccccc1CSc1nc(N)cc(N2CCC[C@@](O)(CO)CC2)[nH+]1 ZINC000095361872 542960276 /nfs/dbraw/zinc/96/02/76/542960276.db2.gz ZKERBEKSBYOOAL-IBGZPJMESA-N 1 1 374.510 2.373 50 0 FEAAMO C[N@H+]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@]12CCNC(=O)CC2 ZINC000095363838 542960532 /nfs/dbraw/zinc/96/05/32/542960532.db2.gz UQDOJAFQYXLHKM-KRWDZBQOSA-N 1 1 371.815 2.045 50 0 FEAAMO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095365280 542960924 /nfs/dbraw/zinc/96/09/24/542960924.db2.gz NPWCFSFCFIPSCY-GOEBONIOSA-N 1 1 358.392 2.491 50 0 FEAAMO O=C(NCCCn1nnc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095382443 542965307 /nfs/dbraw/zinc/96/53/07/542965307.db2.gz VFKKSITWSMAESN-MRXNPFEDSA-N 1 1 367.453 2.443 50 0 FEAAMO O[C@H]1CN(Cc2noc(C3CCCC3)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000095503087 542975169 /nfs/dbraw/zinc/97/51/69/542975169.db2.gz GOQAWGWMKKJNFD-GOSISDBHSA-N 1 1 356.470 2.406 50 0 FEAAMO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 ZINC000095502514 542975328 /nfs/dbraw/zinc/97/53/28/542975328.db2.gz UTBHOSVVLDHNKE-CQSZACIVSA-N 1 1 368.466 2.271 50 0 FEAAMO CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000095941434 542984089 /nfs/dbraw/zinc/98/40/89/542984089.db2.gz YZKUQQNPDLRWPO-HNAYVOBHSA-N 1 1 358.486 2.119 50 0 FEAAMO Cc1cccc(OCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c1C ZINC000095519173 542978935 /nfs/dbraw/zinc/97/89/35/542978935.db2.gz DZTOHPXUPNDEGF-HXUWFJFHSA-N 1 1 368.477 2.388 50 0 FEAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cccc4nonc43)C2)N1Cc1cscn1 ZINC000095530138 542982040 /nfs/dbraw/zinc/98/20/40/542982040.db2.gz PYLHERAJAWJAFO-DZGCQCFKSA-N 1 1 369.450 2.302 50 0 FEAAMO CSCCc1nc(C2CC[NH+](CC(N)=O)CC2)n(C2CCCCC2)n1 ZINC000096131907 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CCOC(=O)CCCNC(=O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000006552277 204253707 /nfs/dbraw/zinc/25/37/07/204253707.db2.gz WXUNYPBPGMBDMN-UHFFFAOYSA-N 1 1 373.453 2.467 50 0 FEAAMO Cc1ccc(CN2C[C@H](C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2=O)cc1 ZINC000009605008 204375454 /nfs/dbraw/zinc/37/54/54/204375454.db2.gz DSRNCOZYGBUFHK-QZTJIDSGSA-N 1 1 369.465 2.356 50 0 FEAAMO C[N@@H+](CCOc1ccccc1F)CCC(=O)Nc1sccc1C(N)=O ZINC000008728782 204341231 /nfs/dbraw/zinc/34/12/31/204341231.db2.gz JOKQTKWJZCLSLP-UHFFFAOYSA-N 1 1 365.430 2.326 50 0 FEAAMO O[C@@H](COc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036030982 205001331 /nfs/dbraw/zinc/00/13/31/205001331.db2.gz AZYIUKKGPLVRFK-OAQYLSRUSA-N 1 1 370.493 2.261 50 0 FEAAMO COCC[N@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036095050 205003247 /nfs/dbraw/zinc/00/32/47/205003247.db2.gz HHHKCJZWPAKWLI-MRXNPFEDSA-N 1 1 355.475 2.328 50 0 FEAAMO COc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1OC(F)F ZINC000041869922 205093389 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CC[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1 ZINC000059883867 205283170 /nfs/dbraw/zinc/28/31/70/205283170.db2.gz QTKBQITVJCNUCW-UHFFFAOYSA-N 1 1 362.433 2.163 50 0 FEAAMO CN1CCCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761048 205304643 /nfs/dbraw/zinc/30/46/43/205304643.db2.gz MPDVDXWIVAWTOS-UHFFFAOYSA-N 1 1 369.513 2.300 50 0 FEAAMO C[N@H+]1CCC[C@@H](c2cc(NCCc3nc(-c4cccnc4)no3)ncn2)C1 ZINC000063870106 205296657 /nfs/dbraw/zinc/29/66/57/205296657.db2.gz QYSFMDHUEIQCTQ-OAHLLOKOSA-N 1 1 365.441 2.385 50 0 FEAAMO Cc1ccc(-c2nnc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000065229494 205326861 /nfs/dbraw/zinc/32/68/61/205326861.db2.gz HQIAACWHDUQHPH-UHFFFAOYSA-N 1 1 369.469 2.035 50 0 FEAAMO Cc1ccc(-n2nc(C3CC3)nc2C2CC[NH+](CC(N)=O)CC2)cc1C ZINC000065468275 205353813 /nfs/dbraw/zinc/35/38/13/205353813.db2.gz PJRJGTGJQINVFM-UHFFFAOYSA-N 1 1 353.470 2.426 50 0 FEAAMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 ZINC000065499565 205355932 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C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000075094406 542151345 /nfs/dbraw/zinc/15/13/45/542151345.db2.gz ABCGSJREGJHEKE-LSDHHAIUSA-N 1 1 356.532 2.065 50 0 FEAAMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000075104894 542153045 /nfs/dbraw/zinc/15/30/45/542153045.db2.gz LSNKPDRFGRGEBL-INIZCTEOSA-N 1 1 369.469 2.431 50 0 FEAAMO COc1ccc(-c2nc3ccccn3c2C[N@H+]2CCOC[C@H](CO)C2)cc1 ZINC000077341851 542369646 /nfs/dbraw/zinc/36/96/46/542369646.db2.gz TUFGDYSIYZLUFX-INIZCTEOSA-N 1 1 367.449 2.451 50 0 FEAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077439249 542381625 /nfs/dbraw/zinc/38/16/25/542381625.db2.gz RKVJSMCZBMHQDB-FQEVSTJZSA-N 1 1 368.485 2.221 50 0 FEAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077469959 542386179 /nfs/dbraw/zinc/38/61/79/542386179.db2.gz OJMWQCIUJOYYAI-HXUWFJFHSA-N 1 1 358.486 2.087 50 0 FEAAMO COc1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)ccn1 ZINC000082134292 542685307 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Cn1ncc(N2CC[NH+](Cc3ccc(OC4CCCC4)cc3)CC2)cc1=O ZINC000215771503 132270736 /nfs/dbraw/zinc/27/07/36/132270736.db2.gz AOUSEQJJUBQLMU-UHFFFAOYSA-N 1 1 368.481 2.424 50 0 FEAAMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000225401080 132284729 /nfs/dbraw/zinc/28/47/29/132284729.db2.gz YGEOPJBOVNSLMF-HOTGVXAUSA-N 1 1 359.470 2.133 50 0 FEAAMO CCc1nn2c(nc(C)cc2N2CC[NH+](CCO)CC2)c1-c1ccccc1 ZINC000020547942 132897513 /nfs/dbraw/zinc/89/75/13/132897513.db2.gz YZNNHPRNVMIAFV-UHFFFAOYSA-N 1 1 365.481 2.381 50 0 FEAAMO Cc1nc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000091381359 542805262 /nfs/dbraw/zinc/80/52/62/542805262.db2.gz KQZFMYNEGKTQSE-IBGZPJMESA-N 1 1 362.543 2.360 50 0 FEAAMO COc1ccc([C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2NC(C)=O)cc1 ZINC000091441688 542807937 /nfs/dbraw/zinc/80/79/37/542807937.db2.gz GXSGSTYATUKHQY-DLBZAZTESA-N 1 1 351.410 2.075 50 0 FEAAMO COc1ccc(C)cc1NC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091493037 542810766 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FEAAMO C[N@H+]1CCC[C@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)C1 ZINC000091736277 542822114 /nfs/dbraw/zinc/82/21/14/542822114.db2.gz NCEZICZRYHMPPV-IBGZPJMESA-N 1 1 367.497 2.374 50 0 FEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000091656208 542818265 /nfs/dbraw/zinc/81/82/65/542818265.db2.gz NRRCMJNMNKPEFW-UHFFFAOYSA-N 1 1 357.458 2.496 50 0 FEAAMO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1OCCO)C2 ZINC000092003370 542835790 /nfs/dbraw/zinc/83/57/90/542835790.db2.gz DACQNILJSXCQGR-RBUKOAKNSA-N 1 1 358.482 2.447 50 0 FEAAMO Cc1[nH]c2c(cccc2C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1C ZINC000092061538 542842023 /nfs/dbraw/zinc/84/20/23/542842023.db2.gz TVUYNWFTCKELDV-RTBURBONSA-N 1 1 357.498 2.157 50 0 FEAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCCC(=O)c1ccc(F)cc1)C2 ZINC000095368154 542961533 /nfs/dbraw/zinc/96/15/33/542961533.db2.gz OJSFKGKAUPASCQ-RHSMWYFYSA-N 1 1 368.474 2.144 50 0 FEAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095370114 542962327 /nfs/dbraw/zinc/96/23/27/542962327.db2.gz GRIWESJYIGXIFQ-QZTJIDSGSA-N 1 1 353.470 2.169 50 0 FEAAMO Cc1ccc(N2CCC([N@@H+]3CCO[C@@H](C(=O)N(C)C)C3)CC2)cc1Cl ZINC000072411319 136145540 /nfs/dbraw/zinc/14/55/40/136145540.db2.gz CIKYILZEOFDNLK-GOSISDBHSA-N 1 1 365.905 2.406 50 0 FEAAMO CCc1cc(N2CC[NH+](C3CCN(C)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072454170 136148548 /nfs/dbraw/zinc/14/85/48/136148548.db2.gz BCJRVTDLFTYKNH-UHFFFAOYSA-N 1 1 356.518 2.125 50 0 FEAAMO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000095358244 542959158 /nfs/dbraw/zinc/95/91/58/542959158.db2.gz ZXSUYTVGNBYHSF-OAHLLOKOSA-N 1 1 366.469 2.341 50 0 FEAAMO Cc1cccc([C@H](C(=O)NCCc2nc3ccccc3c(=O)[nH]2)[NH+](C)C)c1 ZINC000095360245 542959978 /nfs/dbraw/zinc/95/99/78/542959978.db2.gz QBSCWKMUQDPVPS-LJQANCHMSA-N 1 1 364.449 2.193 50 0 FEAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(C(=O)c2ccco2)CC1 ZINC000095366253 542960654 /nfs/dbraw/zinc/96/06/54/542960654.db2.gz YHPFEOJDGNVSFV-GOSISDBHSA-N 1 1 367.449 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542964530 /nfs/dbraw/zinc/96/45/30/542964530.db2.gz RTHJCTOOWJMENK-MRXNPFEDSA-N 1 1 356.470 2.034 50 0 FEAAMO Cc1noc(C)c1C[N@@H+](C)CCC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000095456770 542971270 /nfs/dbraw/zinc/97/12/70/542971270.db2.gz NXNSFXLMBFXZKJ-UHFFFAOYSA-N 1 1 358.398 2.083 50 0 FEAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3S1)CC2 ZINC000095502594 542975014 /nfs/dbraw/zinc/97/50/14/542975014.db2.gz IIYOFTLTNONVQD-KRWDZBQOSA-N 1 1 368.506 2.432 50 0 FEAAMO NC(=O)Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000095503182 542975504 /nfs/dbraw/zinc/97/55/04/542975504.db2.gz ORTWOTIGPPESGX-ZDUSSCGKSA-N 1 1 355.467 2.358 50 0 FEAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1ccc(C)n1)CC2 ZINC000095502887 542975614 /nfs/dbraw/zinc/97/56/14/542975614.db2.gz AAWHNJNOIXQJPV-UHFFFAOYSA-N 1 1 370.501 2.091 50 0 FEAAMO O=C(Cc1ccc(F)cc1F)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095513277 542977656 /nfs/dbraw/zinc/97/76/56/542977656.db2.gz FVGJEILTGKHYJW-SFHVURJKSA-N 1 1 360.404 2.213 50 0 FEAAMO CCOc1cc(C[N@@H+]2CCOCC[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000095986135 542985155 /nfs/dbraw/zinc/98/51/55/542985155.db2.gz MQUKHSHZVCVLLV-SNVBAGLBSA-N 1 1 359.352 2.153 50 0 FEAAMO CCOc1cc(C[N@H+]2CCOCC[C@H]2C)nc2nc(C(F)(F)F)nn21 ZINC000095986135 542985159 /nfs/dbraw/zinc/98/51/59/542985159.db2.gz MQUKHSHZVCVLLV-SNVBAGLBSA-N 1 1 359.352 2.153 50 0 FEAAMO Cc1ccccc1[C@@H](C(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1)[NH+](C)C ZINC000095529492 542981893 /nfs/dbraw/zinc/98/18/93/542981893.db2.gz ZOQNHQRZCCZWNL-FQEVSTJZSA-N 1 1 368.481 2.396 50 0 FEAAMO COc1ccc(C[N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)c(OC)c1 ZINC000096126365 542992856 /nfs/dbraw/zinc/99/28/56/542992856.db2.gz XDEBWHRHPZQHQT-UHFFFAOYSA-N 1 1 360.439 2.109 50 0 FEAAMO COc1ccc(C[N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)c(OC)c1 ZINC000096126365 542992859 /nfs/dbraw/zinc/99/28/59/542992859.db2.gz XDEBWHRHPZQHQT-UHFFFAOYSA-N 1 1 360.439 2.109 50 0 FEAAMO NC(=O)Cc1nc(C[NH+]2CCCCCCC2)n(CCc2ccccc2)n1 ZINC000096136874 542993046 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Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000657294791 677992861 /nfs/dbraw/zinc/99/28/61/677992861.db2.gz FFSWSIIJJFBYGN-UHFFFAOYSA-N 1 1 362.377 2.100 50 0 FEAAMO Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000952971720 681793948 /nfs/dbraw/zinc/79/39/48/681793948.db2.gz OUPDPLXBSXXJMO-INIZCTEOSA-N 1 1 355.467 2.273 50 0 FEAAMO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)OCO4)CC1 ZINC000004082291 539376653 /nfs/dbraw/zinc/37/66/53/539376653.db2.gz FIPOCCMKBUCHFA-UHFFFAOYSA-N 1 1 359.378 2.297 50 0 biogenic FEAAMO COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012580710 539566128 /nfs/dbraw/zinc/56/61/28/539566128.db2.gz OXJNNKVSKKVVDN-KRWDZBQOSA-N 1 1 368.543 2.324 50 0 FEAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000012589710 539567173 /nfs/dbraw/zinc/56/71/73/539567173.db2.gz ZIRWDLMZFWTTMP-KRWDZBQOSA-N 1 1 372.469 2.202 50 0 FEAAMO Cc1sc2nc(-c3cccs3)nc(N3CC[NH2+][C@H](C(N)=O)C3)c2c1C ZINC000012795817 539575272 /nfs/dbraw/zinc/57/52/72/539575272.db2.gz UCTJWHPHXVBPIH-NSHDSACASA-N 1 1 373.507 2.300 50 0 FEAAMO COC(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000012995246 539581473 /nfs/dbraw/zinc/58/14/73/539581473.db2.gz KLOVLUPFRHZLMQ-UHFFFAOYSA-N 1 1 368.433 2.235 50 0 FEAAMO CCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012865941 539578079 /nfs/dbraw/zinc/57/80/79/539578079.db2.gz FSYCDUDLQWBPPE-CQSZACIVSA-N 1 1 360.454 2.267 50 0 FEAAMO COc1ccc(C[N@H+](CC(=O)N(C)CC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000016355004 539630984 /nfs/dbraw/zinc/63/09/84/539630984.db2.gz QVCMQUMKNXVGNN-UHFFFAOYSA-N 1 1 361.486 2.033 50 0 FEAAMO COc1ccc(C[N@@H+](CC(=O)N(C)CC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000016355004 539630987 /nfs/dbraw/zinc/63/09/87/539630987.db2.gz QVCMQUMKNXVGNN-UHFFFAOYSA-N 1 1 361.486 2.033 50 0 FEAAMO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCC[NH+](C)C)o2)c1 ZINC000019582941 539661806 /nfs/dbraw/zinc/66/18/06/539661806.db2.gz YIZVQBOSUJLLNE-UHFFFAOYSA-N 1 1 360.410 2.171 50 0 FEAAMO CCOc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000019771018 539669335 /nfs/dbraw/zinc/66/93/35/539669335.db2.gz MFDRTLXNXXGSSA-INIZCTEOSA-N 1 1 368.389 2.236 50 0 FEAAMO CCN1C[C@H](C[N@H+](C)Cc2cc(=O)n3ccsc3n2)Oc2ccccc21 ZINC000021672428 539686595 /nfs/dbraw/zinc/68/65/95/539686595.db2.gz USPKHYDSXBOOHW-HNNXBMFYSA-N 1 1 370.478 2.475 50 0 FEAAMO CCN1C[C@H](C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)Oc2ccccc21 ZINC000021672428 539686600 /nfs/dbraw/zinc/68/66/00/539686600.db2.gz USPKHYDSXBOOHW-HNNXBMFYSA-N 1 1 370.478 2.475 50 0 FEAAMO CC(C)(C)C[N@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000020908781 539678224 /nfs/dbraw/zinc/67/82/24/539678224.db2.gz RSFHXDGQDKHKRF-KRWDZBQOSA-N 1 1 357.502 2.182 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 ZINC000022693929 539697214 /nfs/dbraw/zinc/69/72/14/539697214.db2.gz AKWGCNBYTOBCGP-AWEZNQCLSA-N 1 1 365.499 2.183 50 0 FEAAMO COc1ccccc1/C=C/CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712296 /nfs/dbraw/zinc/71/22/96/539712296.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 1 1 373.541 2.171 50 0 FEAAMO COc1ccccc1/C=C/CN1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712298 /nfs/dbraw/zinc/71/22/98/539712298.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 1 1 373.541 2.171 50 0 FEAAMO C[C@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl ZINC000024985838 539745401 /nfs/dbraw/zinc/74/54/01/539745401.db2.gz SUFKYODULPCZDC-SJCJKPOMSA-N 1 1 373.840 2.270 50 0 FEAAMO CCCCNC(=O)C1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000029927181 539868865 /nfs/dbraw/zinc/86/88/65/539868865.db2.gz IMBOQKWYCMIZTI-UHFFFAOYSA-N 1 1 362.499 2.193 50 0 FEAAMO O=C([C@@H]1COCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032641366 539946240 /nfs/dbraw/zinc/94/62/40/539946240.db2.gz HLDMNJJXKXXCSJ-FQEVSTJZSA-N 1 1 366.461 2.336 50 0 FEAAMO CCCNC(=O)c1coc(CN2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000034678155 539977225 /nfs/dbraw/zinc/97/72/25/539977225.db2.gz XXRYJRUGSSRJNR-UHFFFAOYSA-N 1 1 356.470 2.441 50 0 FEAAMO Cc1ccc(NCCCNC(=O)Nc2ccc3c(c2)OCC(=O)N3C)[nH+]c1 ZINC000534578933 540383817 /nfs/dbraw/zinc/38/38/17/540383817.db2.gz GBISEKMNECSOPH-UHFFFAOYSA-N 1 1 369.425 2.369 50 0 FEAAMO Fc1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1N1CCOCC1 ZINC000065508299 541241627 /nfs/dbraw/zinc/24/16/27/541241627.db2.gz ZGTSLVWWMMOHSB-MRXNPFEDSA-N 1 1 357.433 2.139 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)n[nH]1 ZINC000067955130 541532862 /nfs/dbraw/zinc/53/28/62/541532862.db2.gz QMLARXLAZMCWRJ-CVEARBPZSA-N 1 1 370.453 2.306 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)[nH]n1 ZINC000067955130 541532865 /nfs/dbraw/zinc/53/28/65/541532865.db2.gz QMLARXLAZMCWRJ-CVEARBPZSA-N 1 1 370.453 2.306 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)[nH]n1 ZINC000067955130 541532867 /nfs/dbraw/zinc/53/28/67/541532867.db2.gz QMLARXLAZMCWRJ-CVEARBPZSA-N 1 1 370.453 2.306 50 0 FEAAMO O=C(COC[C@@H]1CCCO1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000069267075 541672953 /nfs/dbraw/zinc/67/29/53/541672953.db2.gz XWEVNIGTYIXWOR-INIZCTEOSA-N 1 1 368.424 2.241 50 0 FEAAMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCC[C@H]1c1cccs1 ZINC000070017265 541730550 /nfs/dbraw/zinc/73/05/50/541730550.db2.gz YTDIRDXLGUNACY-IRXDYDNUSA-N 1 1 363.527 2.208 50 0 FEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CCCF)CC2)C1 ZINC000071730317 541769427 /nfs/dbraw/zinc/76/94/27/541769427.db2.gz PICAIPIWUVUNRE-SFHVURJKSA-N 1 1 362.493 2.234 50 0 FEAAMO CCc1cc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH]n1 ZINC000071759742 541770918 /nfs/dbraw/zinc/77/09/18/541770918.db2.gz CXLTYLRWVLNTKS-KRWDZBQOSA-N 1 1 373.545 2.271 50 0 FEAAMO CCc1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000071759742 541770922 /nfs/dbraw/zinc/77/09/22/541770922.db2.gz CXLTYLRWVLNTKS-KRWDZBQOSA-N 1 1 373.545 2.271 50 0 FEAAMO CCc1cc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000071759742 541770925 /nfs/dbraw/zinc/77/09/25/541770925.db2.gz CXLTYLRWVLNTKS-KRWDZBQOSA-N 1 1 373.545 2.271 50 0 FEAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134311 541785930 /nfs/dbraw/zinc/78/59/30/541785930.db2.gz FQDYACAKFDBNDR-AWEZNQCLSA-N 1 1 351.882 2.415 50 0 FEAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134311 541785933 /nfs/dbraw/zinc/78/59/33/541785933.db2.gz FQDYACAKFDBNDR-AWEZNQCLSA-N 1 1 351.882 2.415 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2ccc(Cl)cc2)ncn1 ZINC000072139990 541785804 /nfs/dbraw/zinc/78/58/04/541785804.db2.gz FQWSMXGIHKUXEA-UHFFFAOYSA-N 1 1 370.844 2.395 50 0 FEAAMO COc1ncccc1NC(=O)[C@@H]1CN(C/C=C/c2ccccc2)CC[NH2+]1 ZINC000072143697 541787218 /nfs/dbraw/zinc/78/72/18/541787218.db2.gz FQLXWEPLILXJMH-YOCVDRLZSA-N 1 1 352.438 2.016 50 0 FEAAMO COc1ncccc1NC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCN1 ZINC000072143697 541787222 /nfs/dbraw/zinc/78/72/22/541787222.db2.gz FQLXWEPLILXJMH-YOCVDRLZSA-N 1 1 352.438 2.016 50 0 FEAAMO COc1ncccc1NC(=O)[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCN1 ZINC000072143697 541787225 /nfs/dbraw/zinc/78/72/25/541787225.db2.gz FQLXWEPLILXJMH-YOCVDRLZSA-N 1 1 352.438 2.016 50 0 FEAAMO Cc1ccn2c(nnc2C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072147489 541789033 /nfs/dbraw/zinc/78/90/33/541789033.db2.gz BWMLCWKGDWJIEG-INIZCTEOSA-N 1 1 356.474 2.207 50 0 FEAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000072154649 541791050 /nfs/dbraw/zinc/79/10/50/541791050.db2.gz FGIPCWSAMITENK-OAHLLOKOSA-N 1 1 372.296 2.456 50 0 FEAAMO CC[N@@H+](C)CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072164057 541793561 /nfs/dbraw/zinc/79/35/61/541793561.db2.gz LGMONLPBBIHGEK-GOSISDBHSA-N 1 1 363.477 2.363 50 0 FEAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNS(=O)(=O)NCc2ccccc2)C1 ZINC000072164905 541793006 /nfs/dbraw/zinc/79/30/06/541793006.db2.gz RCLPJNDINMBYLA-IBGZPJMESA-N 1 1 373.522 2.441 50 0 FEAAMO O=C(Cc1ccc(F)c(Cl)c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072165991 541794426 /nfs/dbraw/zinc/79/44/26/541794426.db2.gz ROEXNCCWINVGPI-OAHLLOKOSA-N 1 1 354.853 2.469 50 0 FEAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cn2cc(Br)cn2)cn1 ZINC000072406398 541805572 /nfs/dbraw/zinc/80/55/72/541805572.db2.gz MNHHXXHMOVKUKU-UHFFFAOYSA-N 1 1 361.203 2.173 50 0 FEAAMO CCCNc1nc(C2CC2)nc2c1CC[N@H+](Cc1ncnn1CC)CC2 ZINC000072424950 541810251 /nfs/dbraw/zinc/81/02/51/541810251.db2.gz QCURMXOBLHIUDQ-UHFFFAOYSA-N 1 1 355.490 2.388 50 0 FEAAMO CCCNc1nc(C2CC2)nc2c1CC[N@@H+](Cc1ncnn1CC)CC2 ZINC000072424950 541810253 /nfs/dbraw/zinc/81/02/53/541810253.db2.gz QCURMXOBLHIUDQ-UHFFFAOYSA-N 1 1 355.490 2.388 50 0 FEAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072473864 541818351 /nfs/dbraw/zinc/81/83/51/541818351.db2.gz BBIHLWONLSOORY-UHFFFAOYSA-N 1 1 373.541 2.242 50 0 FEAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)CC2)C1 ZINC000072473864 541818353 /nfs/dbraw/zinc/81/83/53/541818353.db2.gz BBIHLWONLSOORY-UHFFFAOYSA-N 1 1 373.541 2.242 50 0 FEAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)CC2)C1 ZINC000072473864 541818355 /nfs/dbraw/zinc/81/83/55/541818355.db2.gz BBIHLWONLSOORY-UHFFFAOYSA-N 1 1 373.541 2.242 50 0 FEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)Cn3cc4ccccc4n3)cc2C1 ZINC000299796400 203776579 /nfs/dbraw/zinc/77/65/79/203776579.db2.gz NYNVRCKIEBXPSR-UHFFFAOYSA-N 1 1 366.469 2.165 50 0 FEAAMO COCCCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc4nonc43)CC[C@H]21 ZINC000072454474 541816477 /nfs/dbraw/zinc/81/64/77/541816477.db2.gz ARZIXTCBNQOPQI-WMLDXEAASA-N 1 1 358.442 2.072 50 0 FEAAMO Nc1ncccc1C[N@@H+]1CCC[C@]2(C(=O)[O-])C[NH+](CC3CCC3)CC[C@@H]12 ZINC000072477809 541820470 /nfs/dbraw/zinc/82/04/70/541820470.db2.gz RHLFQXMZWVJZPR-XLIONFOSSA-N 1 1 358.486 2.205 50 0 FEAAMO Nc1ncccc1C[N@H+]1CCC[C@]2(C(=O)[O-])C[NH+](CC3CCC3)CC[C@@H]12 ZINC000072477809 541820473 /nfs/dbraw/zinc/82/04/73/541820473.db2.gz RHLFQXMZWVJZPR-XLIONFOSSA-N 1 1 358.486 2.205 50 0 FEAAMO Nc1ncccc1C[NH+]1CCC[C@]2(C(=O)[O-])C[N@H+](CC3CCC3)CC[C@@H]12 ZINC000072477809 541820475 /nfs/dbraw/zinc/82/04/75/541820475.db2.gz RHLFQXMZWVJZPR-XLIONFOSSA-N 1 1 358.486 2.205 50 0 FEAAMO Nc1ncccc1C[NH+]1CCC[C@]2(C(=O)[O-])C[N@@H+](CC3CCC3)CC[C@@H]12 ZINC000072477809 541820477 /nfs/dbraw/zinc/82/04/77/541820477.db2.gz RHLFQXMZWVJZPR-XLIONFOSSA-N 1 1 358.486 2.205 50 0 FEAAMO CCCCCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148127 204194854 /nfs/dbraw/zinc/19/48/54/204194854.db2.gz NLAAHDJOYOPKQL-UHFFFAOYSA-N 1 1 374.489 2.236 50 0 FEAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCCCC1 ZINC000007377586 204296328 /nfs/dbraw/zinc/29/63/28/204296328.db2.gz IBPHIHCGSUEOKT-OAHLLOKOSA-N 1 1 365.499 2.284 50 0 FEAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000008570028 204334591 /nfs/dbraw/zinc/33/45/91/204334591.db2.gz GWTWKJGMTNILML-IHRRRGAJSA-N 1 1 371.359 2.313 50 0 FEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000008755493 204343616 /nfs/dbraw/zinc/34/36/16/204343616.db2.gz AXLQJBUXJAMOFZ-LLVKDONJSA-N 1 1 350.488 2.332 50 0 FEAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCC ZINC000036159147 205008042 /nfs/dbraw/zinc/00/80/42/205008042.db2.gz NURBXETZKPXKFR-LBPRGKRZSA-N 1 1 365.499 2.083 50 0 FEAAMO CCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COCC ZINC000036159147 205008045 /nfs/dbraw/zinc/00/80/45/205008045.db2.gz NURBXETZKPXKFR-LBPRGKRZSA-N 1 1 365.499 2.083 50 0 FEAAMO CCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036250975 205008819 /nfs/dbraw/zinc/00/88/19/205008819.db2.gz QFTDTEDCPYFNIH-IBGZPJMESA-N 1 1 357.498 2.482 50 0 FEAAMO O=C(NCc1n[nH]c(-c2ccncc2)n1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000039499972 205046181 /nfs/dbraw/zinc/04/61/81/205046181.db2.gz JRAXHGBPTDIYGL-LBPRGKRZSA-N 1 1 354.439 2.283 50 0 FEAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1sccc1-n1cnnn1 ZINC000040093073 205054845 /nfs/dbraw/zinc/05/48/45/205054845.db2.gz XHBYRWDNTTWSEA-CQSZACIVSA-N 1 1 372.454 2.274 50 0 FEAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)NCc1ccccc1 ZINC000044900670 205113742 /nfs/dbraw/zinc/11/37/42/205113742.db2.gz DUXMYHFJRWHSDV-UHFFFAOYSA-N 1 1 356.422 2.321 50 0 FEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 ZINC000048310215 205157665 /nfs/dbraw/zinc/15/76/65/205157665.db2.gz JBYLDMNSRCAUQJ-IYBDPMFKSA-N 1 1 368.481 2.188 50 0 FEAAMO CC[NH+]1CCN(Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)CC1 ZINC000048343350 205159693 /nfs/dbraw/zinc/15/96/93/205159693.db2.gz DMPYAZMVUCQDGQ-UHFFFAOYSA-N 1 1 368.384 2.484 50 0 FEAAMO COc1ccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)cc1 ZINC000053274403 205191298 /nfs/dbraw/zinc/19/12/98/205191298.db2.gz SZIMKFBLKRCINJ-UHFFFAOYSA-N 1 1 361.467 2.271 50 0 FEAAMO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057281463 205236597 /nfs/dbraw/zinc/23/65/97/205236597.db2.gz KIWZOMWVEJZUMN-VQTJNVASSA-N 1 1 374.481 2.181 50 0 FEAAMO Cc1sc2ncn(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)c(=O)c2c1C ZINC000058160938 205253210 /nfs/dbraw/zinc/25/32/10/205253210.db2.gz HRXSEVSFHJKIDZ-KRWDZBQOSA-N 1 1 369.490 2.494 50 0 FEAAMO O=C(NCC[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1F ZINC000058201602 205258440 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CCc1[nH+]ccn1CCC(=O)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000216289120 206358679 /nfs/dbraw/zinc/35/86/79/206358679.db2.gz IHANVGAVEIDRJM-UHFFFAOYSA-N 1 1 350.426 2.206 50 0 FEAAMO CCc1[nH+]ccn1CCC(=O)N1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000216289120 206358682 /nfs/dbraw/zinc/35/86/82/206358682.db2.gz IHANVGAVEIDRJM-UHFFFAOYSA-N 1 1 350.426 2.206 50 0 FEAAMO CC[C@@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403620 542177428 /nfs/dbraw/zinc/17/74/28/542177428.db2.gz HYBXVKQYHCJYKO-IEBWSBKVSA-N 1 1 357.498 2.368 50 0 FEAAMO CC[C@@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403620 542177431 /nfs/dbraw/zinc/17/74/31/542177431.db2.gz HYBXVKQYHCJYKO-IEBWSBKVSA-N 1 1 357.498 2.368 50 0 FEAAMO CCCOCC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077341379 542369611 /nfs/dbraw/zinc/36/96/11/542369611.db2.gz NXINYTLUADDSCI-FQEVSTJZSA-N 1 1 360.502 2.416 50 0 FEAAMO Cc1ccccc1[C@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC000077355177 542371113 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O=C(CNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020639181 526855187 /nfs/dbraw/zinc/85/51/87/526855187.db2.gz AICPAFCXACNOJF-UHFFFAOYSA-N 1 1 371.868 2.414 50 0 FEAAMO O=C1C[C@]2(CC[N@@H+](Cc3cnc(SCc4ccccc4)nc3)C2)C(=O)N1 ZINC000082139259 527034898 /nfs/dbraw/zinc/03/48/98/527034898.db2.gz LURSJAPYQSIAMH-IBGZPJMESA-N 1 1 368.462 2.008 50 0 FEAAMO Cc1nccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091548624 527392552 /nfs/dbraw/zinc/39/25/52/527392552.db2.gz UCEKONAXGMCLDN-VQTJNVASSA-N 1 1 367.497 2.490 50 0 FEAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C ZINC000091551352 527450766 /nfs/dbraw/zinc/45/07/66/527450766.db2.gz OQWYUUOTYGUMHG-UHFFFAOYSA-N 1 1 356.474 2.265 50 0 FEAAMO CCc1cc(N2CCC([NH+]3CCN(C4CCOCC4)CC3)CC2)nc(C)n1 ZINC000096133097 536145092 /nfs/dbraw/zinc/14/50/92/536145092.db2.gz PMAXQCWIRNVYPU-UHFFFAOYSA-N 1 1 373.545 2.113 50 0 FEAAMO C[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3ncnc4ccccc43)C2)CC1 ZINC000095529853 536404177 /nfs/dbraw/zinc/40/41/77/536404177.db2.gz IKPPJMLTSWYJAP-QGZVFWFLSA-N 1 1 367.497 2.400 50 0 FEAAMO COc1cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc(N)n1 ZINC000092062319 536825940 /nfs/dbraw/zinc/82/59/40/536825940.db2.gz SJFVIEHWDAVAGY-UHFFFAOYSA-N 1 1 365.441 2.091 50 0 FEAAMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2nnc(Cc3ccccc3)o2)cn1 ZINC000170591254 546162668 /nfs/dbraw/zinc/16/26/68/546162668.db2.gz PSKRQDQYCLMTKT-QZTJIDSGSA-N 1 1 367.453 2.482 50 0 FEAAMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2nnc(Cc3ccccc3)o2)cn1 ZINC000170591254 546162674 /nfs/dbraw/zinc/16/26/74/546162674.db2.gz PSKRQDQYCLMTKT-QZTJIDSGSA-N 1 1 367.453 2.482 50 0 FEAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000178983700 546883246 /nfs/dbraw/zinc/88/32/46/546883246.db2.gz FAUBSRFNQAGBFP-UHFFFAOYSA-N 1 1 374.460 2.442 50 0 FEAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2ncccc2c1 ZINC000194567400 548499227 /nfs/dbraw/zinc/49/92/27/548499227.db2.gz HFXYESUMRSIPMF-HNNXBMFYSA-N 1 1 356.470 2.221 50 0 FEAAMO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+]4CCC[C@H]4C3)nc2)on1 ZINC000210428402 548666345 /nfs/dbraw/zinc/66/63/45/548666345.db2.gz HEHCNLYDLLVFQU-KRWDZBQOSA-N 1 1 369.469 2.237 50 0 FEAAMO Cc1ccc(C[N@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)s1 ZINC000220503304 548700797 /nfs/dbraw/zinc/70/07/97/548700797.db2.gz CKLOWBRHQIOWFB-GOSISDBHSA-N 1 1 357.483 2.474 50 0 FEAAMO Cc1ccc(C[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)s1 ZINC000220503304 548700801 /nfs/dbraw/zinc/70/08/01/548700801.db2.gz CKLOWBRHQIOWFB-GOSISDBHSA-N 1 1 357.483 2.474 50 0 FEAAMO C[N@H+]1C[C@@H]2CC[C@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 ZINC000221423878 548704888 /nfs/dbraw/zinc/70/48/88/548704888.db2.gz SNTVECNSJXMTNI-GJZGRUSLSA-N 1 1 362.495 2.493 50 0 FEAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000243956946 548889958 /nfs/dbraw/zinc/88/99/58/548889958.db2.gz CERBHOGEINRSBP-CYBMUJFWSA-N 1 1 364.877 2.396 50 0 FEAAMO Cn1c2ccccc2nc1C1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000244787801 548894529 /nfs/dbraw/zinc/89/45/29/548894529.db2.gz QDXNTXBEZBVGRS-MRXNPFEDSA-N 1 1 356.470 2.048 50 0 FEAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244899715 548899314 /nfs/dbraw/zinc/89/93/14/548899314.db2.gz ZOPUHJGQQYUSRC-JOCQHMNTSA-N 1 1 357.506 2.470 50 0 FEAAMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246274097 549093770 /nfs/dbraw/zinc/09/37/70/549093770.db2.gz ZFBBRBQUBYFJNO-VQIMIIECSA-N 1 1 367.497 2.451 50 0 FEAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000247345647 549322729 /nfs/dbraw/zinc/32/27/29/549322729.db2.gz UIYXCWVOMXRBSF-OAHLLOKOSA-N 1 1 358.891 2.215 50 0 FEAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000247345647 549322730 /nfs/dbraw/zinc/32/27/30/549322730.db2.gz UIYXCWVOMXRBSF-OAHLLOKOSA-N 1 1 358.891 2.215 50 0 FEAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)nc2ccccc21 ZINC000248153339 549412367 /nfs/dbraw/zinc/41/23/67/549412367.db2.gz UXVSQGBQTKKEPA-QGZVFWFLSA-N 1 1 369.513 2.042 50 0 FEAAMO CCCN1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1=O ZINC000252501890 549669760 /nfs/dbraw/zinc/66/97/60/549669760.db2.gz UKMACZNVJFEBJE-LJQANCHMSA-N 1 1 372.513 2.305 50 0 FEAAMO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000253536691 549691564 /nfs/dbraw/zinc/69/15/64/549691564.db2.gz KXQZGZXIWPIEIV-AWEZNQCLSA-N 1 1 373.428 2.453 50 0 FEAAMO CC(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257183830 549713567 /nfs/dbraw/zinc/71/35/67/549713567.db2.gz SJEVVNZHEHZBHQ-IBGZPJMESA-N 1 1 374.529 2.352 50 0 FEAAMO CC1(C)C[C@H](C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)CCO1 ZINC000299788198 553614649 /nfs/dbraw/zinc/61/46/49/553614649.db2.gz XQHLTOBZSBNYGX-OAHLLOKOSA-N 1 1 356.474 2.306 50 0 FEAAMO CC(C)c1[nH+]ccn1CCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000299786057 553614682 /nfs/dbraw/zinc/61/46/82/553614682.db2.gz SPIBXQXAAZBENB-UHFFFAOYSA-N 1 1 363.483 2.159 50 0 FEAAMO Cc1nc(Cl)ccc1NC(=O)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000299792920 553614995 /nfs/dbraw/zinc/61/49/95/553614995.db2.gz GFIHPHHPADUNPV-CQSZACIVSA-N 1 1 352.866 2.354 50 0 FEAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)cc1F ZINC000299802718 553616390 /nfs/dbraw/zinc/61/63/90/553616390.db2.gz WBOXCANKODEHEP-NSHDSACASA-N 1 1 356.829 2.106 50 0 FEAAMO Cc1nc([C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)CCO2)no1 ZINC000329568815 553968807 /nfs/dbraw/zinc/96/88/07/553968807.db2.gz UEBHKWSEXKQXJU-MSOLQXFVSA-N 1 1 370.453 2.333 50 0 FEAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(-c3cncc(N(C)C)n3)cc2)c1C ZINC000534586359 562537581 /nfs/dbraw/zinc/53/75/81/562537581.db2.gz NPSFBYUYZQQTMC-UHFFFAOYSA-N 1 1 364.453 2.453 50 0 FEAAMO Cc1nnsc1CNC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000584903291 570509974 /nfs/dbraw/zinc/50/99/74/570509974.db2.gz WKCVBQZAKWXTSI-UHFFFAOYSA-N 1 1 371.510 2.231 50 0 FEAAMO CN1CC[NH+](CC(C)(C)NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000426434487 570605087 /nfs/dbraw/zinc/60/50/87/570605087.db2.gz PRBJPDOHGIOSPD-QGZVFWFLSA-N 1 1 362.493 2.351 50 0 FEAAMO O=C(CCc1ccccc1OC(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000084502458 571087434 /nfs/dbraw/zinc/08/74/34/571087434.db2.gz QLWMCJWFXUGCIO-OAHLLOKOSA-N 1 1 372.387 2.451 50 0 FEAAMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nncn1C ZINC000084714590 571097522 /nfs/dbraw/zinc/09/75/22/571097522.db2.gz MBFDFDVKADJVMK-BQFCYCMXSA-N 1 1 370.501 2.428 50 0 FEAAMO Cc1ccccc1[C@H]1CN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000685941314 571100905 /nfs/dbraw/zinc/10/09/05/571100905.db2.gz CJOFJJMIDHPOSR-GOSISDBHSA-N 1 1 354.454 2.399 50 0 FEAAMO CCOc1ccccc1N1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426380149 571135782 /nfs/dbraw/zinc/13/57/82/571135782.db2.gz RVMLJPANFGABKH-OAHLLOKOSA-N 1 1 369.469 2.288 50 0 FEAAMO CCc1nc(C)sc1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000584892421 571314756 /nfs/dbraw/zinc/31/47/56/571314756.db2.gz PDEGZNBWQJFCHQ-HNNXBMFYSA-N 1 1 366.531 2.410 50 0 FEAAMO Nc1nc2c(c(C(=O)N[C@@H]3CCC[N@@H+](Cc4cccs4)C3)n1)CCCC2 ZINC000670440551 571348842 /nfs/dbraw/zinc/34/88/42/571348842.db2.gz MUPOWCUHZKSXNR-CYBMUJFWSA-N 1 1 371.510 2.394 50 0 FEAAMO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000670457641 571355160 /nfs/dbraw/zinc/35/51/60/571355160.db2.gz VNGMCCMEZDUGKN-LJQANCHMSA-N 1 1 374.506 2.479 50 0 FEAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000670457641 571355161 /nfs/dbraw/zinc/35/51/61/571355161.db2.gz VNGMCCMEZDUGKN-LJQANCHMSA-N 1 1 374.506 2.479 50 0 FEAAMO Cc1cc(C)n2c(nnc2C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000670465645 571358534 /nfs/dbraw/zinc/35/85/34/571358534.db2.gz PFJAUAAJGOMJNM-CQSZACIVSA-N 1 1 370.482 2.197 50 0 FEAAMO CNC(=O)CCC(C)(C)NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000670465871 571358598 /nfs/dbraw/zinc/35/85/98/571358598.db2.gz RCLFMPHEEBOISA-UHFFFAOYSA-N 1 1 360.502 2.127 50 0 FEAAMO CCc1nc(S(=O)(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)c[nH]1 ZINC000670468138 571359072 /nfs/dbraw/zinc/35/90/72/571359072.db2.gz WBPXIPMXLXVASZ-OAHLLOKOSA-N 1 1 362.499 2.048 50 0 FEAAMO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(S(C)(=O)=O)C3)C2)c1 ZINC000072164477 670495604 /nfs/dbraw/zinc/49/56/04/670495604.db2.gz VISJRWKOZJMBNT-QGZVFWFLSA-N 1 1 356.463 2.082 50 0 FEAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(S(C)(=O)=O)C3)C2)c1 ZINC000072164477 670495606 /nfs/dbraw/zinc/49/56/06/670495606.db2.gz VISJRWKOZJMBNT-QGZVFWFLSA-N 1 1 356.463 2.082 50 0 FEAAMO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(Cc1ccc(F)cc1F)CC2 ZINC000169789527 672322499 /nfs/dbraw/zinc/32/24/99/672322499.db2.gz CQIDJGMDQZWCMZ-INIZCTEOSA-N 1 1 354.441 2.118 50 0 FEAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(Cc1ccc(F)cc1F)CC2 ZINC000169789527 672322502 /nfs/dbraw/zinc/32/25/02/672322502.db2.gz CQIDJGMDQZWCMZ-INIZCTEOSA-N 1 1 354.441 2.118 50 0 FEAAMO C[NH+]1CCN(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000003217358 539361009 /nfs/dbraw/zinc/36/10/09/539361009.db2.gz VCPPGUCOOMUKNY-UHFFFAOYSA-N 1 1 367.478 2.493 50 0 FEAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn2ccc3ccccc32)C1 ZINC000003999814 539374197 /nfs/dbraw/zinc/37/41/97/539374197.db2.gz IFMBCKPKASNHBO-QXAKKESOSA-N 1 1 363.461 2.283 50 0 biogenic FEAAMO CCCCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(CCCCC)c(=O)n1C ZINC000005148165 539403639 /nfs/dbraw/zinc/40/36/39/539403639.db2.gz VRYQVWBJLIRCAA-UHFFFAOYSA-N 1 1 374.489 2.473 50 0 FEAAMO Cc1ccc2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)cc(=O)n2c1 ZINC000006586853 539430810 /nfs/dbraw/zinc/43/08/10/539430810.db2.gz RXQWJEGNOBSPMF-MRXNPFEDSA-N 1 1 351.406 2.275 50 0 FEAAMO Cc1ccc2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)cc(=O)n2c1 ZINC000006586853 539430815 /nfs/dbraw/zinc/43/08/15/539430815.db2.gz RXQWJEGNOBSPMF-MRXNPFEDSA-N 1 1 351.406 2.275 50 0 FEAAMO CC[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1nnc(C(C)C)s1 ZINC000008814433 539493011 /nfs/dbraw/zinc/49/30/11/539493011.db2.gz MOWRAUNBXNSQDG-SSDOTTSWSA-N 1 1 353.477 2.125 50 0 FEAAMO COC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000011204342 539525962 /nfs/dbraw/zinc/52/59/62/539525962.db2.gz JGLTXWHHLVICTA-IBGZPJMESA-N 1 1 368.433 2.394 50 0 FEAAMO COC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000011204342 539525965 /nfs/dbraw/zinc/52/59/65/539525965.db2.gz JGLTXWHHLVICTA-IBGZPJMESA-N 1 1 368.433 2.394 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000012180132 539547773 /nfs/dbraw/zinc/54/77/73/539547773.db2.gz QMGKANATMRUCEC-WMZOPIPTSA-N 1 1 358.486 2.192 50 0 FEAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000012812356 539575518 /nfs/dbraw/zinc/57/55/18/539575518.db2.gz QCPIDGVMTSPZEE-IBGZPJMESA-N 1 1 373.497 2.336 50 0 FEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000014139571 539596823 /nfs/dbraw/zinc/59/68/23/539596823.db2.gz FNSPGXQKUGFCKQ-INIZCTEOSA-N 1 1 366.421 2.473 50 0 FEAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cncn3)C2)cc1 ZINC000015070330 539610281 /nfs/dbraw/zinc/61/02/81/539610281.db2.gz HRVVFQVXEUFBPL-LJQANCHMSA-N 1 1 355.486 2.257 50 0 FEAAMO COc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000015069423 539610920 /nfs/dbraw/zinc/61/09/20/539610920.db2.gz VTIMFNMBWHJDTK-KRWDZBQOSA-N 1 1 369.469 2.360 50 0 FEAAMO Cn1cc(C[N@@H+]2CCc3n[nH]c([C@@H]4COc5ccccc5O4)c3C2)cn1 ZINC000019939391 539671846 /nfs/dbraw/zinc/67/18/46/539671846.db2.gz UPPKOMCQRGXZDT-SFHVURJKSA-N 1 1 351.410 2.214 50 0 FEAAMO Cn1cc(C[N@H+]2CCc3n[nH]c([C@@H]4COc5ccccc5O4)c3C2)cn1 ZINC000019939391 539671849 /nfs/dbraw/zinc/67/18/49/539671849.db2.gz UPPKOMCQRGXZDT-SFHVURJKSA-N 1 1 351.410 2.214 50 0 FEAAMO CC(C)N1C[C@H](c2nc3ccccc3n2CC[NH+]2CCOCC2)CC1=O ZINC000021171952 539681351 /nfs/dbraw/zinc/68/13/51/539681351.db2.gz SLVSCGNHGHKACR-MRXNPFEDSA-N 1 1 356.470 2.093 50 0 FEAAMO Cn1c(=O)cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)n(C)c1=O ZINC000022385925 539694132 /nfs/dbraw/zinc/69/41/32/539694132.db2.gz MOKQSXFPGVAMIL-QGZVFWFLSA-N 1 1 373.503 2.355 50 0 FEAAMO Cn1c(=O)cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)n(C)c1=O ZINC000022385925 539694135 /nfs/dbraw/zinc/69/41/35/539694135.db2.gz MOKQSXFPGVAMIL-QGZVFWFLSA-N 1 1 373.503 2.355 50 0 FEAAMO CCN1CC[NH+](CCCNC(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000022937397 539703828 /nfs/dbraw/zinc/70/38/28/539703828.db2.gz WJASUWVKGXZDMD-UHFFFAOYSA-N 1 1 374.510 2.259 50 0 FEAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000023263402 539711547 /nfs/dbraw/zinc/71/15/47/539711547.db2.gz CUGFOCYFTTVRBA-HNNXBMFYSA-N 1 1 361.515 2.243 50 0 FEAAMO CCn1nnc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc21 ZINC000023718346 539719078 /nfs/dbraw/zinc/71/90/78/539719078.db2.gz NOJOLFMXIFKZOH-UHFFFAOYSA-N 1 1 371.485 2.216 50 0 FEAAMO Cc1cc(C)n2nc(C(=O)N3CCC[N@H+](Cc4cccs4)CC3)nc2n1 ZINC000028035509 539823478 /nfs/dbraw/zinc/82/34/78/539823478.db2.gz IOXUGUARQGTTSK-UHFFFAOYSA-N 1 1 370.482 2.151 50 0 FEAAMO Cc1cc(C)n2nc(C(=O)N3CCC[N@@H+](Cc4cccs4)CC3)nc2n1 ZINC000028035509 539823482 /nfs/dbraw/zinc/82/34/82/539823482.db2.gz IOXUGUARQGTTSK-UHFFFAOYSA-N 1 1 370.482 2.151 50 0 FEAAMO Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000032124392 539930051 /nfs/dbraw/zinc/93/00/51/539930051.db2.gz SDXBHNNQUZOQOX-WMLDXEAASA-N 1 1 353.470 2.225 50 0 FEAAMO O=C(CC[N@H+]1CCc2sccc2C1)N1CCN(c2ccccn2)CC1 ZINC000032776787 539952928 /nfs/dbraw/zinc/95/29/28/539952928.db2.gz XZGXOPRHEQCCLH-UHFFFAOYSA-N 1 1 356.495 2.240 50 0 FEAAMO O=C(NC1CCCCC1)NC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000055027765 540622782 /nfs/dbraw/zinc/62/27/82/540622782.db2.gz KNGOSHSGGNRBHY-UHFFFAOYSA-N 1 1 350.507 2.095 50 0 FEAAMO O=C(CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000057171029 540775064 /nfs/dbraw/zinc/77/50/64/540775064.db2.gz ZDOXVNQORNAFAF-KRWDZBQOSA-N 1 1 352.438 2.191 50 0 FEAAMO C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000058167317 540830229 /nfs/dbraw/zinc/83/02/29/540830229.db2.gz ZYYRLJVLYLTTRE-MRXNPFEDSA-N 1 1 354.454 2.474 50 0 FEAAMO O=C(NC1CC[NH+](CN2C[C@H](c3cccc(F)c3)CC2=O)CC1)C1CC1 ZINC000058173020 540831303 /nfs/dbraw/zinc/83/13/03/540831303.db2.gz ARWUVXLWKZZCKP-MRXNPFEDSA-N 1 1 359.445 2.090 50 0 FEAAMO O[C@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000058381415 540840965 /nfs/dbraw/zinc/84/09/65/540840965.db2.gz USSSGWUGYSCAJT-GOSISDBHSA-N 1 1 358.413 2.406 50 0 FEAAMO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058431463 540842993 /nfs/dbraw/zinc/84/29/93/540842993.db2.gz KRWBNFADOZVYAH-SFHVURJKSA-N 1 1 360.502 2.066 50 0 FEAAMO COc1ccc(F)cc1S(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065365719 541235457 /nfs/dbraw/zinc/23/54/57/541235457.db2.gz GNIBKGLONVFQEI-OKILXGFUSA-N 1 1 358.479 2.481 50 0 FEAAMO Cc1cc(NC(=O)CN2CC[N@@H+](CC3CC3)[C@H](CCO)C2)ccc1Cl ZINC000065406977 541236469 /nfs/dbraw/zinc/23/64/69/541236469.db2.gz YXGRQPDYBYRWPU-QGZVFWFLSA-N 1 1 365.905 2.366 50 0 FEAAMO Clc1cnc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)nc1 ZINC000065491226 541241143 /nfs/dbraw/zinc/24/11/43/541241143.db2.gz WPCGHPFLFJQQRD-UHFFFAOYSA-N 1 1 355.833 2.033 50 0 FEAAMO O=C([C@@H]1CCC[N@@H+](C2CCCCC2)C1)N1CCN(C2CCOCC2)CC1 ZINC000065526024 541243455 /nfs/dbraw/zinc/24/34/55/541243455.db2.gz XUFIXVQSEZFBNC-GOSISDBHSA-N 1 1 363.546 2.354 50 0 FEAAMO O=C([C@@H]1CCC[N@H+](C2CCCCC2)C1)N1CCN(C2CCOCC2)CC1 ZINC000065526024 541243458 /nfs/dbraw/zinc/24/34/58/541243458.db2.gz XUFIXVQSEZFBNC-GOSISDBHSA-N 1 1 363.546 2.354 50 0 FEAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2ccc(F)cc2F)[nH+]1 ZINC000067612626 541490285 /nfs/dbraw/zinc/49/02/85/541490285.db2.gz KQBRCKRWNQSZAJ-UHFFFAOYSA-N 1 1 358.352 2.091 50 0 FEAAMO C[N@H+]1CCCC2(CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)CC1 ZINC000067726170 541506077 /nfs/dbraw/zinc/50/60/77/541506077.db2.gz QVNKLAMXRVSZLY-UHFFFAOYSA-N 1 1 354.454 2.261 50 0 FEAAMO CC(C)(C[N@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)C1)N1CCOCC1 ZINC000067678120 541497522 /nfs/dbraw/zinc/49/75/22/541497522.db2.gz JYCUEVCJBAKWHJ-KRWDZBQOSA-N 1 1 371.485 2.422 50 0 FEAAMO O[C@@H]1C[N@H+](C2CSCCSC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067774253 541511831 /nfs/dbraw/zinc/51/18/31/541511831.db2.gz PEJVWXQGMFVERQ-LSDHHAIUSA-N 1 1 353.509 2.414 50 0 FEAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)CC3(CO)CC3)C2=O)cc1 ZINC000067757510 541508451 /nfs/dbraw/zinc/50/84/51/541508451.db2.gz CHMJINHGXFRZLO-JOCHJYFZSA-N 1 1 374.525 2.368 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)no1 ZINC000067756308 541508748 /nfs/dbraw/zinc/50/87/48/541508748.db2.gz RIIACMYNXGPQTM-AWEZNQCLSA-N 1 1 359.426 2.428 50 0 FEAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2coc3ccc(C)cc3c2=O)C1 ZINC000067895411 541526665 /nfs/dbraw/zinc/52/66/65/541526665.db2.gz OTIURKCXALHTIS-CQSZACIVSA-N 1 1 368.437 2.386 50 0 FEAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2coc3ccc(C)cc3c2=O)C1 ZINC000067895411 541526668 /nfs/dbraw/zinc/52/66/68/541526668.db2.gz OTIURKCXALHTIS-CQSZACIVSA-N 1 1 368.437 2.386 50 0 FEAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)NCc3[nH]nc4c3CCCCC4)cc2C1 ZINC000067982105 541535420 /nfs/dbraw/zinc/53/54/20/541535420.db2.gz PVMHGDAPXXMOPI-UHFFFAOYSA-N 1 1 370.501 2.419 50 0 FEAAMO CC(C)[N@H+]1CCCn2nc(C(=O)NCc3[nH]nc4c3CCCCC4)cc2C1 ZINC000067982105 541535424 /nfs/dbraw/zinc/53/54/24/541535424.db2.gz PVMHGDAPXXMOPI-UHFFFAOYSA-N 1 1 370.501 2.419 50 0 FEAAMO CC[C@H](CNc1ncnc2c1Cc1ccccc1OC2)[NH+]1CCN(C)CC1 ZINC000097655409 209191966 /nfs/dbraw/zinc/19/19/66/209191966.db2.gz PNLCNHCXCCCFRF-QGZVFWFLSA-N 1 1 367.497 2.398 50 0 FEAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000097657136 209191197 /nfs/dbraw/zinc/19/11/97/209191197.db2.gz WXQCWUSEZCGQGG-CQSZACIVSA-N 1 1 370.432 2.012 50 0 FEAAMO CCNC(=O)NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831372 541633326 /nfs/dbraw/zinc/63/33/26/541633326.db2.gz YHYSAXARCRELBN-UHFFFAOYSA-N 1 1 362.257 2.024 50 0 FEAAMO CCNC(=O)NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831372 541633329 /nfs/dbraw/zinc/63/33/29/541633329.db2.gz YHYSAXARCRELBN-UHFFFAOYSA-N 1 1 362.257 2.024 50 0 FEAAMO CC(C)[C@H]1C[N@@H+](CCC(=O)N(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071707816 541768149 /nfs/dbraw/zinc/76/81/49/541768149.db2.gz GJHSMOSOIXSOBC-GOSISDBHSA-N 1 1 363.477 2.363 50 0 FEAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681764 541768697 /nfs/dbraw/zinc/76/86/97/541768697.db2.gz OGBWEOUBCYTDMN-SFHVURJKSA-N 1 1 356.514 2.380 50 0 FEAAMO O=C(c1nc2sccn2c1C[NH+]1CCC(CO)CC1)N1CCCCC1 ZINC000071748737 541769356 /nfs/dbraw/zinc/76/93/56/541769356.db2.gz UBVKYSKBZKRPSC-UHFFFAOYSA-N 1 1 362.499 2.226 50 0 FEAAMO CC(=O)Nn1c(C)cc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1C ZINC000071735654 541769912 /nfs/dbraw/zinc/76/99/12/541769912.db2.gz YNHLRRMGUVSNIS-UHFFFAOYSA-N 1 1 355.486 2.298 50 0 FEAAMO CC(=O)Nn1c(C)cc(CN2CCC[N@H+](Cc3ccncc3)CC2)c1C ZINC000071735654 541769916 /nfs/dbraw/zinc/76/99/16/541769916.db2.gz YNHLRRMGUVSNIS-UHFFFAOYSA-N 1 1 355.486 2.298 50 0 FEAAMO CC(=O)Nn1c(C)cc(CN2CCC[N@@H+](Cc3ccncc3)CC2)c1C ZINC000071735654 541769919 /nfs/dbraw/zinc/76/99/19/541769919.db2.gz YNHLRRMGUVSNIS-UHFFFAOYSA-N 1 1 355.486 2.298 50 0 FEAAMO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071754584 541770183 /nfs/dbraw/zinc/77/01/83/541770183.db2.gz IUULYRRSLQIXKM-GOSISDBHSA-N 1 1 372.444 2.282 50 0 FEAAMO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071754583 541770731 /nfs/dbraw/zinc/77/07/31/541770731.db2.gz IUULYRRSLQIXKM-SFHVURJKSA-N 1 1 372.444 2.282 50 0 FEAAMO CCc1[nH+]ccn1CC(=O)N1CCC(=O)N(Cc2ccccc2)[C@@H](CC)C1 ZINC000071762660 541771508 /nfs/dbraw/zinc/77/15/08/541771508.db2.gz AWRFCYBJAXBBRF-SFHVURJKSA-N 1 1 368.481 2.485 50 0 FEAAMO COC(=O)C1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCCCC1 ZINC000071850274 541774278 /nfs/dbraw/zinc/77/42/78/541774278.db2.gz UWCULXHHRVTHQN-QGZVFWFLSA-N 1 1 359.470 2.286 50 0 FEAAMO CCN(CC)S(=O)(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072141817 541787072 /nfs/dbraw/zinc/78/70/72/541787072.db2.gz ZVNFJGSFGLFEDA-SFHVURJKSA-N 1 1 353.532 2.260 50 0 FEAAMO CC(C)C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072150411 541789554 /nfs/dbraw/zinc/78/95/54/541789554.db2.gz XKNDZYOUZILPQZ-SFHVURJKSA-N 1 1 373.497 2.180 50 0 FEAAMO COc1ccc([C@@H]2C[N@H+](Cc3nccn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072156367 541791559 /nfs/dbraw/zinc/79/15/59/541791559.db2.gz RCYYBUZISVHWQV-CEWLAPEOSA-N 1 1 352.482 2.491 50 0 FEAAMO COc1ccc([C@@H]2C[N@@H+](Cc3nccn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072156367 541791562 /nfs/dbraw/zinc/79/15/62/541791562.db2.gz RCYYBUZISVHWQV-CEWLAPEOSA-N 1 1 352.482 2.491 50 0 FEAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3cnc(SCc4ccccc4)nc3)C[C@H]2C[C@@H]1O ZINC000072161150 541792487 /nfs/dbraw/zinc/79/24/87/541792487.db2.gz HVCQTAVTWXBAHQ-SEXKYXSUSA-N 1 1 371.506 2.333 50 0 FEAAMO O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000072310037 541799018 /nfs/dbraw/zinc/79/90/18/541799018.db2.gz ZWAXQRIBHKMJIP-UXHICEINSA-N 1 1 357.498 2.009 50 0 FEAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cn1 ZINC000072405023 541805831 /nfs/dbraw/zinc/80/58/31/541805831.db2.gz YZEDYSDCHMTLCU-UHFFFAOYSA-N 1 1 352.350 2.322 50 0 FEAAMO O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072428602 541811620 /nfs/dbraw/zinc/81/16/20/541811620.db2.gz FMBKNOUUGPXRRC-QGZVFWFLSA-N 1 1 353.451 2.079 50 0 FEAAMO O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000072458598 541816803 /nfs/dbraw/zinc/81/68/03/541816803.db2.gz ZXHKVLWOAZWZCU-UHFFFAOYSA-N 1 1 370.428 2.135 50 0 FEAAMO O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000072458598 541816807 /nfs/dbraw/zinc/81/68/07/541816807.db2.gz ZXHKVLWOAZWZCU-UHFFFAOYSA-N 1 1 370.428 2.135 50 0 FEAAMO COCC[N@@H+]1CCC[C@]2(CCN(c3[nH+]c4c(cc3C(=O)[O-])CCC4)C2)C1 ZINC000072463747 541817612 /nfs/dbraw/zinc/81/76/12/541817612.db2.gz TZHJRVBULPSYOF-FQEVSTJZSA-N 1 1 359.470 2.207 50 0 FEAAMO COCC[N@H+]1CCC[C@]2(CCN(c3[nH+]c4c(cc3C(=O)[O-])CCC4)C2)C1 ZINC000072463747 541817615 /nfs/dbraw/zinc/81/76/15/541817615.db2.gz TZHJRVBULPSYOF-FQEVSTJZSA-N 1 1 359.470 2.207 50 0 FEAAMO c1coc(C[N@H+]2CCc3ncnc(NCCCn4ccnc4)c3CC2)c1 ZINC000072467964 541817861 /nfs/dbraw/zinc/81/78/61/541817861.db2.gz NMZHONCDXIWKID-UHFFFAOYSA-N 1 1 352.442 2.369 50 0 FEAAMO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000097017160 209167091 /nfs/dbraw/zinc/16/70/91/209167091.db2.gz JDAJPYZKUWLVFS-GHMZBOCLSA-N 1 1 353.268 2.313 50 0 FEAAMO CCc1[nH+]ccn1CCNC(=O)Nc1cccc(NC(=O)COC)c1C ZINC000096149441 209123705 /nfs/dbraw/zinc/12/37/05/209123705.db2.gz CYJSRWBOSIEYAH-UHFFFAOYSA-N 1 1 359.430 2.161 50 0 FEAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)c2ccon2)CC1 ZINC000096140860 209120118 /nfs/dbraw/zinc/12/01/18/209120118.db2.gz NFDGMPCFCQSVME-UHFFFAOYSA-N 1 1 372.473 2.199 50 0 FEAAMO C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000075094407 542151288 /nfs/dbraw/zinc/15/12/88/542151288.db2.gz ABCGSJREGJHEKE-HUUCEWRRSA-N 1 1 356.532 2.065 50 0 FEAAMO CCN1CC[NH+](CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000075346788 542171689 /nfs/dbraw/zinc/17/16/89/542171689.db2.gz QGILOUCUGBYHST-UHFFFAOYSA-N 1 1 365.481 2.474 50 0 FEAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(NC(N)=O)CCCCC2)cc1F ZINC000076017757 542224831 /nfs/dbraw/zinc/22/48/31/542224831.db2.gz PGBFPJPGNOYSRJ-UHFFFAOYSA-N 1 1 373.432 2.307 50 0 FEAAMO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000010331187 206886493 /nfs/dbraw/zinc/88/64/93/206886493.db2.gz SRPLQEXKOPQLGV-CYBMUJFWSA-N 1 1 365.817 2.299 50 0 FEAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000007351585 207194527 /nfs/dbraw/zinc/19/45/27/207194527.db2.gz PBDQIXMXBSXJFN-UHFFFAOYSA-N 1 1 358.486 2.203 50 0 FEAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641240 207200678 /nfs/dbraw/zinc/20/06/78/207200678.db2.gz DCLIXUDKHKGQPW-CYBMUJFWSA-N 1 1 361.442 2.394 50 0 FEAAMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641240 207200682 /nfs/dbraw/zinc/20/06/82/207200682.db2.gz DCLIXUDKHKGQPW-CYBMUJFWSA-N 1 1 361.442 2.394 50 0 FEAAMO C[N@@H+](CCCNC(=O)CNC(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000009983969 207291006 /nfs/dbraw/zinc/29/10/06/207291006.db2.gz HMMDYPQIIWGSLL-UHFFFAOYSA-N 1 1 357.429 2.194 50 0 FEAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000012303396 207355009 /nfs/dbraw/zinc/35/50/09/207355009.db2.gz IAKLPEHAFYGEAS-AWEZNQCLSA-N 1 1 361.511 2.343 50 0 FEAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)n[nH]2)c1 ZINC000012317275 207358394 /nfs/dbraw/zinc/35/83/94/207358394.db2.gz FIAYORSPMZXISN-KRWDZBQOSA-N 1 1 368.437 2.112 50 0 FEAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)[nH]n2)c1 ZINC000012317275 207358400 /nfs/dbraw/zinc/35/84/00/207358400.db2.gz FIAYORSPMZXISN-KRWDZBQOSA-N 1 1 368.437 2.112 50 0 FEAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)[nH]n2)c1 ZINC000012317275 207358404 /nfs/dbraw/zinc/35/84/04/207358404.db2.gz FIAYORSPMZXISN-KRWDZBQOSA-N 1 1 368.437 2.112 50 0 FEAAMO CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000012387090 207368512 /nfs/dbraw/zinc/36/85/12/207368512.db2.gz UNNDOSMLXXIFJC-SFHVURJKSA-N 1 1 366.425 2.421 50 0 FEAAMO CCc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000012387090 207368519 /nfs/dbraw/zinc/36/85/19/207368519.db2.gz UNNDOSMLXXIFJC-SFHVURJKSA-N 1 1 366.425 2.421 50 0 FEAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000012459536 207380904 /nfs/dbraw/zinc/38/09/04/207380904.db2.gz GZWNNNNMKKENJN-OAHLLOKOSA-N 1 1 371.403 2.263 50 0 FEAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000012459536 207380906 /nfs/dbraw/zinc/38/09/06/207380906.db2.gz GZWNNNNMKKENJN-OAHLLOKOSA-N 1 1 371.403 2.263 50 0 FEAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3OC)C2)C1=O ZINC000012581833 207398184 /nfs/dbraw/zinc/39/81/84/207398184.db2.gz QFJVOCSMCXPGAG-IBGZPJMESA-N 1 1 350.434 2.295 50 0 FEAAMO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077287916 542362492 /nfs/dbraw/zinc/36/24/92/542362492.db2.gz NHOOGLSFBZJONR-LJQANCHMSA-N 1 1 368.424 2.170 50 0 FEAAMO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077287916 542362496 /nfs/dbraw/zinc/36/24/96/542362496.db2.gz NHOOGLSFBZJONR-LJQANCHMSA-N 1 1 368.424 2.170 50 0 FEAAMO CC[C@H](CNS(=O)(=O)N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000032825771 208047907 /nfs/dbraw/zinc/04/79/07/208047907.db2.gz UXACIDJFPHEHTR-LJQANCHMSA-N 1 1 365.543 2.390 50 0 FEAAMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000031766779 208015228 /nfs/dbraw/zinc/01/52/28/208015228.db2.gz YRTXTXFJTOADNV-UHFFFAOYSA-N 1 1 369.465 2.442 50 0 FEAAMO Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000069779232 208121566 /nfs/dbraw/zinc/12/15/66/208121566.db2.gz SQUSQGKLIVWXRS-UHFFFAOYSA-N 1 1 361.449 2.494 50 0 FEAAMO COCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCC(C)C ZINC000036097122 208146822 /nfs/dbraw/zinc/14/68/22/208146822.db2.gz AQTINUZIFHWHSV-QGZVFWFLSA-N 1 1 355.475 2.186 50 0 FEAAMO CN1C(=O)CC[C@@H](C(=O)Nc2cc(C[NH+](C)C)[nH]n2)[C@H]1c1cccc(F)c1 ZINC000072258557 208186840 /nfs/dbraw/zinc/18/68/40/208186840.db2.gz ZJIQHTVSZYBYAJ-CRAIPNDOSA-N 1 1 373.432 2.159 50 0 FEAAMO CN1C(=O)CC[C@@H](C(=O)Nc2cc(C[NH+](C)C)[nH]n2)[C@@H]1c1cccc(F)c1 ZINC000072258558 208186847 /nfs/dbraw/zinc/18/68/47/208186847.db2.gz ZJIQHTVSZYBYAJ-QAPCUYQASA-N 1 1 373.432 2.159 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040073578 208224012 /nfs/dbraw/zinc/22/40/12/208224012.db2.gz LPYOSABQADEEAL-MOPGFXCFSA-N 1 1 357.498 2.068 50 0 FEAAMO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(CCNC(=O)c2ccco2)CC1 ZINC000040105818 208227717 /nfs/dbraw/zinc/22/77/17/208227717.db2.gz IJAPUVDWEHFAHB-ROUUACIJSA-N 1 1 363.502 2.222 50 0 FEAAMO CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077319477 542366461 /nfs/dbraw/zinc/36/64/61/542366461.db2.gz UYKONTVGZIYICP-NRFANRHFSA-N 1 1 357.498 2.022 50 0 FEAAMO CC(C)CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CC1=O ZINC000041363373 208283675 /nfs/dbraw/zinc/28/36/75/208283675.db2.gz TUHJJHGUXVOBDZ-INIZCTEOSA-N 1 1 363.527 2.287 50 0 FEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000048301890 208397638 /nfs/dbraw/zinc/39/76/38/208397638.db2.gz HKHHNAVAPVXWCO-IYBDPMFKSA-N 1 1 370.497 2.389 50 0 FEAAMO CC(=O)NCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077456484 542384329 /nfs/dbraw/zinc/38/43/29/542384329.db2.gz JNDYDDFUSAPQNC-OAQYLSRUSA-N 1 1 357.498 2.070 50 0 FEAAMO O=C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCC2(CNC(=O)C2)CC1 ZINC000077472215 542386097 /nfs/dbraw/zinc/38/60/97/542386097.db2.gz KPQFOIJPWBUNKM-LJQANCHMSA-N 1 1 373.472 2.481 50 0 FEAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccc3OC(F)F)C2)CN1CCO ZINC000077505487 542390041 /nfs/dbraw/zinc/39/00/41/542390041.db2.gz ZBHGMBKHFMLUGF-LJQANCHMSA-N 1 1 368.424 2.485 50 0 FEAAMO CN1CC[C@]2(CN(Cc3c[nH]nc3-c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091848867 209000058 /nfs/dbraw/zinc/00/00/58/209000058.db2.gz ZCAJKSFVIDWLNU-NRFANRHFSA-N 1 1 367.497 2.205 50 0 FEAAMO CC[C@@H]1CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000091895297 209003735 /nfs/dbraw/zinc/00/37/35/209003735.db2.gz ZKFJHKWAAMHBFH-CYBMUJFWSA-N 1 1 373.409 2.149 50 0 FEAAMO CC[C@@H]1CN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000091895297 209003738 /nfs/dbraw/zinc/00/37/38/209003738.db2.gz ZKFJHKWAAMHBFH-CYBMUJFWSA-N 1 1 373.409 2.149 50 0 FEAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c(F)cccc1Cl)C2 ZINC000091907651 209003777 /nfs/dbraw/zinc/00/37/77/209003777.db2.gz PODCWVXXEDEAHN-UONOGXRCSA-N 1 1 353.869 2.464 50 0 FEAAMO COCCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(C(C)=O)cn3C)C2)C1=O ZINC000091985835 209009055 /nfs/dbraw/zinc/00/90/55/209009055.db2.gz GCASALXOHAMAGK-FQEVSTJZSA-N 1 1 361.486 2.079 50 0 FEAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091974243 209009626 /nfs/dbraw/zinc/00/96/26/209009626.db2.gz OKLYKZPJHOXZDF-CYBMUJFWSA-N 1 1 353.426 2.178 50 0 FEAAMO Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c[nH]1 ZINC000092004596 209010386 /nfs/dbraw/zinc/01/03/86/209010386.db2.gz OAYLIKDPSZYNEL-ZWKOTPCHSA-N 1 1 351.450 2.420 50 0 FEAAMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1CN(C(C)=O)C3)OCCCO2 ZINC000092046452 209014246 /nfs/dbraw/zinc/01/42/46/209014246.db2.gz JXHMZRXZPUZNHW-DOTOQJQBSA-N 1 1 360.454 2.299 50 0 FEAAMO COc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1CN(C(C)=O)C3)OCCCO2 ZINC000092046452 209014250 /nfs/dbraw/zinc/01/42/50/209014250.db2.gz JXHMZRXZPUZNHW-DOTOQJQBSA-N 1 1 360.454 2.299 50 0 FEAAMO [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)c1 ZINC000092020043 209011129 /nfs/dbraw/zinc/01/11/29/209011129.db2.gz ZBRSTKCOISNQPV-PZJWPPBQSA-N 1 1 364.493 2.206 50 0 FEAAMO NC(=O)c1csc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000092037090 209012535 /nfs/dbraw/zinc/01/25/35/209012535.db2.gz SOVVUEXFRFMRPF-CQSZACIVSA-N 1 1 368.466 2.266 50 0 FEAAMO NC(=O)c1csc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000092037092 209013315 /nfs/dbraw/zinc/01/33/15/209013315.db2.gz SOVVUEXFRFMRPF-AWEZNQCLSA-N 1 1 368.466 2.266 50 0 FEAAMO C[N@H+]1CCN(C(=O)CCc2ccccc2Cl)C[C@]12CCNC(=O)CC2 ZINC000095355960 209026847 /nfs/dbraw/zinc/02/68/47/209026847.db2.gz NJXSTIPTLOCRPE-IBGZPJMESA-N 1 1 363.889 2.086 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3c1CCC3)C2 ZINC000095359396 209027998 /nfs/dbraw/zinc/02/79/98/209027998.db2.gz FTLSFCPICGFSGV-LSDHHAIUSA-N 1 1 369.469 2.240 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3c1CCC3)C2 ZINC000095359396 209028000 /nfs/dbraw/zinc/02/80/00/209028000.db2.gz FTLSFCPICGFSGV-LSDHHAIUSA-N 1 1 369.469 2.240 50 0 FEAAMO Cc1nc(CCNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)nc2c1CCC2 ZINC000095359718 209028199 /nfs/dbraw/zinc/02/81/99/209028199.db2.gz ZWGRCOQEKATFAU-FQEVSTJZSA-N 1 1 365.481 2.165 50 0 FEAAMO CN(C)[C@@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(F)c1 ZINC000095390211 209045323 /nfs/dbraw/zinc/04/53/23/209045323.db2.gz NHIBCBZWTHCNFG-GOSISDBHSA-N 1 1 363.477 2.190 50 0 FEAAMO Cc1ccc(CSc2nc(N3CC(N4CCOCC4)C3)cc(N)[nH+]2)cc1 ZINC000095368112 209033283 /nfs/dbraw/zinc/03/32/83/209033283.db2.gz FMWYHTFIZBRMPA-UHFFFAOYSA-N 1 1 371.510 2.180 50 0 FEAAMO Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095384489 209042172 /nfs/dbraw/zinc/04/21/72/209042172.db2.gz BRVSHJBYNMZKNL-FXAWDEMLSA-N 1 1 364.493 2.282 50 0 FEAAMO CCS(=O)(=O)N(C)C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000095454787 209051848 /nfs/dbraw/zinc/05/18/48/209051848.db2.gz ILSRIVFYNSCKGH-UHFFFAOYSA-N 1 1 356.463 2.144 50 0 FEAAMO CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)O2 ZINC000095464540 209055477 /nfs/dbraw/zinc/05/54/77/209055477.db2.gz QDXGPVNIMLXARP-WFUSOUOQSA-N 1 1 366.502 2.068 50 0 FEAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000095497644 209059221 /nfs/dbraw/zinc/05/92/21/209059221.db2.gz PKKRSHXGGHJJCK-UHFFFAOYSA-N 1 1 366.469 2.341 50 0 FEAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000095498047 209059676 /nfs/dbraw/zinc/05/96/76/209059676.db2.gz UVYBTJVPWBKLNJ-CYBMUJFWSA-N 1 1 367.446 2.297 50 0 FEAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095501831 209062722 /nfs/dbraw/zinc/06/27/22/209062722.db2.gz MHLXODOEHCZTEJ-MRXNPFEDSA-N 1 1 362.470 2.081 50 0 FEAAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4c(c3)OCO4)C2)N1Cc1cscn1 ZINC000095508536 209066367 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Cc1nc2ccccn2c1C(=O)NCc1cc2n(n1)CC[N@H+](CC(C)C)C2 ZINC000082136814 542685221 /nfs/dbraw/zinc/68/52/21/542685221.db2.gz FSTOLCPCDHCPIT-UHFFFAOYSA-N 1 1 366.469 2.241 50 0 FEAAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167139 542686228 /nfs/dbraw/zinc/68/62/28/542686228.db2.gz RIVZGSRHWSXWMH-ZDUSSCGKSA-N 1 1 357.845 2.461 50 0 FEAAMO Cc1cccnc1C[NH+]1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000095506042 132212481 /nfs/dbraw/zinc/21/24/81/132212481.db2.gz KFNLFOKPWDWDSJ-UHFFFAOYSA-N 1 1 352.486 2.493 50 0 FEAAMO OCC[C@@H]1CN(c2ncnc3c2CCC3)CC[N@H+]1CCCc1ccccc1 ZINC000106988191 132240855 /nfs/dbraw/zinc/24/08/55/132240855.db2.gz WEUFOWSEPHNSNN-LJQANCHMSA-N 1 1 366.509 2.471 50 0 FEAAMO COc1ccccc1C[NH+]1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 ZINC000299774168 132299020 /nfs/dbraw/zinc/29/90/20/132299020.db2.gz BQNGOCNXDOKWTE-KRWDZBQOSA-N 1 1 354.454 2.311 50 0 FEAAMO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cn1 ZINC000091474828 542808984 /nfs/dbraw/zinc/80/89/84/542808984.db2.gz RQFLZGFYZQOHOS-DOTOQJQBSA-N 1 1 371.510 2.227 50 0 FEAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@H]1CO ZINC000091519111 542811357 /nfs/dbraw/zinc/81/13/57/542811357.db2.gz XYUMXVNBBMSKLY-QZTJIDSGSA-N 1 1 373.497 2.043 50 0 FEAAMO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](C1CSCCSC1)C2 ZINC000091526251 542811746 /nfs/dbraw/zinc/81/17/46/542811746.db2.gz VIVSEQNBAAAPPA-GOSISDBHSA-N 1 1 370.584 2.329 50 0 FEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(CC)c1)CC2 ZINC000091636550 542817432 /nfs/dbraw/zinc/81/74/32/542817432.db2.gz GMBHBWQFVNUFMC-UHFFFAOYSA-N 1 1 370.501 2.416 50 0 FEAAMO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)[nH]n1 ZINC000091690558 542820739 /nfs/dbraw/zinc/82/07/39/542820739.db2.gz AHVHHYWDMZCCJD-UHFFFAOYSA-N 1 1 370.501 2.341 50 0 FEAAMO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)n[nH]1 ZINC000091690558 542820740 /nfs/dbraw/zinc/82/07/40/542820740.db2.gz AHVHHYWDMZCCJD-UHFFFAOYSA-N 1 1 370.501 2.341 50 0 FEAAMO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)n[nH]1 ZINC000091690558 542820742 /nfs/dbraw/zinc/82/07/42/542820742.db2.gz AHVHHYWDMZCCJD-UHFFFAOYSA-N 1 1 370.501 2.341 50 0 FEAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000091708218 542821194 /nfs/dbraw/zinc/82/11/94/542821194.db2.gz LVDOXIAKKMPHPV-UHFFFAOYSA-N 1 1 374.872 2.448 50 0 FEAAMO CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)cn1 ZINC000091656113 542818105 /nfs/dbraw/zinc/81/81/05/542818105.db2.gz SRHUSVQPBMNAJI-DLBZAZTESA-N 1 1 357.458 2.131 50 0 FEAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(CC[NH3+])c2)C[C@H]1C(=O)[O-] ZINC000091818195 542826941 /nfs/dbraw/zinc/82/69/41/542826941.db2.gz DDPKYFYAIQIDCO-RBUKOAKNSA-N 1 1 354.450 2.497 50 0 FEAAMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cc1Cl ZINC000092097639 542844681 /nfs/dbraw/zinc/84/46/81/542844681.db2.gz VLSQHBWJKAXXLY-DLBZAZTESA-N 1 1 373.888 2.363 50 0 FEAAMO Cn1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018063 542903245 /nfs/dbraw/zinc/90/32/45/542903245.db2.gz UESMOOOMVFUQAZ-KRWDZBQOSA-N 1 1 355.486 2.026 50 0 FEAAMO O[C@H]1CCCN(c2cc[nH+]c(N3CCC(O)(Cc4ccccc4)CC3)n2)C1 ZINC000065410528 136136435 /nfs/dbraw/zinc/13/64/35/136136435.db2.gz LLZXRGCOTCXXIH-SFHVURJKSA-N 1 1 368.481 2.012 50 0 FEAAMO Cc1cnc(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071614115 136139450 /nfs/dbraw/zinc/13/94/50/136139450.db2.gz XDYXYEYFPLTQSK-MRXNPFEDSA-N 1 1 357.502 2.053 50 0 FEAAMO Cc1cnc(C)c(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071747099 136139982 /nfs/dbraw/zinc/13/99/82/136139982.db2.gz JMUTWGBEUBVXJG-MRXNPFEDSA-N 1 1 357.502 2.053 50 0 FEAAMO COCCCN1C[C@@]2(CCCN(c3[nH+]cnc4[nH]ccc43)C2)CCC1=O ZINC000072412175 136145712 /nfs/dbraw/zinc/14/57/12/136145712.db2.gz CUXYFCZVXVILEC-LJQANCHMSA-N 1 1 357.458 2.203 50 0 FEAAMO CNc1cc(C)nc(N2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)n1 ZINC000072422098 136146128 /nfs/dbraw/zinc/14/61/28/136146128.db2.gz UQYFEKZKBCKQFA-SFHVURJKSA-N 1 1 355.486 2.208 50 0 FEAAMO C/C(=C\C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000096402562 542999664 /nfs/dbraw/zinc/99/96/64/542999664.db2.gz TYTQUXXKAVCLLE-ZRDIBKRKSA-N 1 1 369.387 2.175 50 0 FEAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)n1 ZINC000104406787 543131175 /nfs/dbraw/zinc/13/11/75/543131175.db2.gz ISCQZBHOBMLANI-LJQANCHMSA-N 1 1 369.465 2.188 50 0 FEAAMO Cc1cccc(C[N@H+]2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)n1 ZINC000104406787 543131179 /nfs/dbraw/zinc/13/11/79/543131179.db2.gz ISCQZBHOBMLANI-LJQANCHMSA-N 1 1 369.465 2.188 50 0 FEAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127748529 544011245 /nfs/dbraw/zinc/01/12/45/544011245.db2.gz DJMVATGNNSLTJY-OALUTQOASA-N 1 1 353.470 2.181 50 0 FEAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)Cc3ccc(F)cc3F)cc2C1 ZINC000082108535 519731930 /nfs/dbraw/zinc/73/19/30/519731930.db2.gz WTDJIEGZTFJIEA-UHFFFAOYSA-N 1 1 362.424 2.492 50 0 FEAAMO CCC[N@@H+]1CCCn2nc(CNC(=O)C(=O)CCc3ccccc3)cc2C1 ZINC000082115477 519854886 /nfs/dbraw/zinc/85/48/86/519854886.db2.gz PFIWVSLOJFKSPC-UHFFFAOYSA-N 1 1 368.481 2.317 50 0 FEAAMO CCC[N@H+]1CCCn2nc(CNC(=O)C(=O)CCc3ccccc3)cc2C1 ZINC000082115477 519854887 /nfs/dbraw/zinc/85/48/87/519854887.db2.gz PFIWVSLOJFKSPC-UHFFFAOYSA-N 1 1 368.481 2.317 50 0 FEAAMO CC[N@H+]1CC[C@@]2(CCN(Cc3nc(-c4ccc(C(=O)OC)cc4)no3)C2)C1 ZINC000020455447 521716507 /nfs/dbraw/zinc/71/65/07/521716507.db2.gz ARMFWBLYOIEKOI-HXUWFJFHSA-N 1 1 370.453 2.441 50 0 FEAAMO COCCCNC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927387 523337766 /nfs/dbraw/zinc/33/77/66/523337766.db2.gz OHQSKIZMXVUUQZ-UHFFFAOYSA-N 1 1 362.499 2.362 50 0 FEAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(-c3cc[nH]n3)s1)C2 ZINC000091548524 523807858 /nfs/dbraw/zinc/80/78/58/523807858.db2.gz YEOQYPRJIIPNLX-UONOGXRCSA-N 1 1 360.483 2.207 50 0 FEAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000078638773 523887184 /nfs/dbraw/zinc/88/71/84/523887184.db2.gz RYITZSNIDPOIBD-MGPQQGTHSA-N 1 1 356.297 2.459 50 0 FEAAMO Cc1cccc(-n2ncc3c2ncnc3NCCC[NH+]2CCOCC2)c1 ZINC000019928400 524148782 /nfs/dbraw/zinc/14/87/82/524148782.db2.gz XTGKKMWEBMVSDK-UHFFFAOYSA-N 1 1 352.442 2.258 50 0 FEAAMO COc1cccc(-c2nc(C)c(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)[nH]2)c1 ZINC000089547893 525721841 /nfs/dbraw/zinc/72/18/41/525721841.db2.gz FGTUBJSMUGZMOX-CQSZACIVSA-N 1 1 372.469 2.092 50 0 FEAAMO O=C(c1cc(C2CC2)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091690204 526603791 /nfs/dbraw/zinc/60/37/91/526603791.db2.gz DNIGKKBRXSORPW-DOTOQJQBSA-N 1 1 351.454 2.419 50 0 FEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(s1)c1ccccc1oc2=O ZINC000020116779 527671980 /nfs/dbraw/zinc/67/19/80/527671980.db2.gz FZTUBOXFOVJGEU-UHFFFAOYSA-N 1 1 372.446 2.460 50 0 FEAAMO C[NH+]1CCN(c2ccc(NC(=O)CCNc3ncccn3)cc2Cl)CC1 ZINC000058227350 536422793 /nfs/dbraw/zinc/42/27/93/536422793.db2.gz UKQMXDDXKXXKGM-UHFFFAOYSA-N 1 1 374.876 2.323 50 0 FEAAMO Cn1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cn1 ZINC000170614594 546165357 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Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000219935169 209698115 /nfs/dbraw/zinc/69/81/15/209698115.db2.gz FPYRNZAWTPMBLU-CQSZACIVSA-N 1 1 355.486 2.265 50 0 FEAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCO[C@@H]2CCC[C@H]21 ZINC000054449116 540590793 /nfs/dbraw/zinc/59/07/93/540590793.db2.gz AMBXBQOKAPEZOE-RTBURBONSA-N 1 1 359.470 2.347 50 0 FEAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1COc2ccccc2O1 ZINC000056039499 540695888 /nfs/dbraw/zinc/69/58/88/540695888.db2.gz FJCNZOFAHYNTKO-HXUWFJFHSA-N 1 1 368.433 2.340 50 0 FEAAMO COc1ccc(C[N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)cc1OC ZINC000057752856 540813210 /nfs/dbraw/zinc/81/32/10/540813210.db2.gz LGHCGCAEHCXAAC-UHFFFAOYSA-N 1 1 360.439 2.109 50 0 FEAAMO COc1ccc(C[N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)cc1OC ZINC000057752856 540813213 /nfs/dbraw/zinc/81/32/13/540813213.db2.gz LGHCGCAEHCXAAC-UHFFFAOYSA-N 1 1 360.439 2.109 50 0 FEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccnc(NC2CC2)c1 ZINC000058018952 540827478 /nfs/dbraw/zinc/82/74/78/540827478.db2.gz 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O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)NCC(=O)N1CCCC1 ZINC000058175164 540831491 /nfs/dbraw/zinc/83/14/91/540831491.db2.gz RZFVDIKUSFWJGE-MRXNPFEDSA-N 1 1 363.889 2.086 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)NCC(=O)N1CCCC1 ZINC000058175164 540831494 /nfs/dbraw/zinc/83/14/94/540831494.db2.gz RZFVDIKUSFWJGE-MRXNPFEDSA-N 1 1 363.889 2.086 50 0 FEAAMO CCC(=O)Nc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000058268427 540837099 /nfs/dbraw/zinc/83/70/99/540837099.db2.gz CUTWWOHBBSLTAM-CQSZACIVSA-N 1 1 353.488 2.045 50 0 FEAAMO COc1ccc(C(=O)CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000062371913 541148253 /nfs/dbraw/zinc/14/82/53/541148253.db2.gz JUTQPDXYLBSOEQ-UHFFFAOYSA-N 1 1 374.481 2.229 50 0 FEAAMO Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)sc2nc(C)nc(C)c12 ZINC000062580125 541151669 /nfs/dbraw/zinc/15/16/69/541151669.db2.gz HKSNZDREMIOSBZ-KGLIPLIRSA-N 1 1 360.483 2.210 50 0 FEAAMO CC(C)[N@@H+]1CCC(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000064748047 541216039 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COc1ccc2ccccc2c1CN1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097694653 209192886 /nfs/dbraw/zinc/19/28/86/209192886.db2.gz LCGYGPZQZYTLMB-PMACEKPBSA-N 1 1 356.466 2.116 50 0 FEAAMO COc1ccc2ccccc2c1CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097694653 209192888 /nfs/dbraw/zinc/19/28/88/209192888.db2.gz LCGYGPZQZYTLMB-PMACEKPBSA-N 1 1 356.466 2.116 50 0 FEAAMO Cc1c(-c2cc(C(=O)N3CC[NH2+][C@@H](c4ccccc4)C3)no2)cnn1C ZINC000097674145 209191903 /nfs/dbraw/zinc/19/19/03/209191903.db2.gz LGJYFQBKAOCINX-QGZVFWFLSA-N 1 1 351.410 2.170 50 0 FEAAMO Cc1ccc([C@H](C(=O)N2CCc3c(ncnc3N(C)C)C2)[NH+](C)C)cc1 ZINC000071746761 541769497 /nfs/dbraw/zinc/76/94/97/541769497.db2.gz UATBFBTWUUPRCP-GOSISDBHSA-N 1 1 353.470 2.039 50 0 FEAAMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@H](Cc2cccc(OC)c2)C1 ZINC000071754103 541770154 /nfs/dbraw/zinc/77/01/54/541770154.db2.gz DEYZOTWLAIKBPM-GOSISDBHSA-N 1 1 357.454 2.314 50 0 FEAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759656 541771030 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JUWPNQJFBFSFQW-CDHQVMDDSA-N 1 1 368.437 2.169 50 0 FEAAMO Cc1nnc(C[N@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072149575 541789039 /nfs/dbraw/zinc/78/90/39/541789039.db2.gz JUWPNQJFBFSFQW-CDHQVMDDSA-N 1 1 368.437 2.169 50 0 FEAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000072149365 541788839 /nfs/dbraw/zinc/78/88/39/541788839.db2.gz HPKBLLIIEVSFNA-IBGZPJMESA-N 1 1 373.541 2.456 50 0 FEAAMO CN1c2ccccc2[C@]2(CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC000072152443 541789725 /nfs/dbraw/zinc/78/97/25/541789725.db2.gz VJJZBJCONNDPTL-OAQYLSRUSA-N 1 1 357.498 2.107 50 0 FEAAMO CN(C(=O)C(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072161078 541792457 /nfs/dbraw/zinc/79/24/57/541792457.db2.gz BFTZDORHQNHAHW-SFHVURJKSA-N 1 1 359.514 2.457 50 0 FEAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCCCc1ccccc1 ZINC000072162843 541792611 /nfs/dbraw/zinc/79/26/11/541792611.db2.gz HWESQEKMORWRMG-IBGZPJMESA-N 1 1 357.498 2.259 50 0 FEAAMO O=S(=O)(N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1cccnc1 ZINC000072166196 541794347 /nfs/dbraw/zinc/79/43/47/541794347.db2.gz JMCVJJWEKNTRKQ-GOSISDBHSA-N 1 1 359.495 2.457 50 0 FEAAMO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000072420368 541808992 /nfs/dbraw/zinc/80/89/92/541808992.db2.gz IQFMWNYDOIHLBR-IBGZPJMESA-N 1 1 369.513 2.335 50 0 FEAAMO CC(C)n1cnnc1CN(C)[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC000072427225 541810842 /nfs/dbraw/zinc/81/08/42/541810842.db2.gz FHMCFDBUCXRTPF-ROUUACIJSA-N 1 1 369.469 2.282 50 0 FEAAMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1 ZINC000072428366 541811580 /nfs/dbraw/zinc/81/15/80/541811580.db2.gz UHGRPXHEYPUUCO-QGZVFWFLSA-N 1 1 359.518 2.337 50 0 FEAAMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1 ZINC000072428366 541811575 /nfs/dbraw/zinc/81/15/75/541811575.db2.gz UHGRPXHEYPUUCO-QGZVFWFLSA-N 1 1 359.518 2.337 50 0 FEAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072458715 541816738 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Cc1ccccc1CSc1nc(N)cc(N2CCC(=O)N(C)CC2)[nH+]1 ZINC000095384690 209042593 /nfs/dbraw/zinc/04/25/93/209042593.db2.gz YUGOMFFZKNKHMT-UHFFFAOYSA-N 1 1 357.483 2.328 50 0 FEAAMO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000095501455 209062869 /nfs/dbraw/zinc/06/28/69/209062869.db2.gz YDIPMWOKHINCBK-INIZCTEOSA-N 1 1 370.501 2.455 50 0 FEAAMO Cc1c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)sc2ncn(C)c(=O)c12 ZINC000079094170 542499338 /nfs/dbraw/zinc/49/93/38/542499338.db2.gz RVMWXVDOKXHIJW-CYBMUJFWSA-N 1 1 362.499 2.011 50 0 FEAAMO C[C@H]([NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1)c1ccc(F)cc1F ZINC000079100035 542500111 /nfs/dbraw/zinc/50/01/11/542500111.db2.gz YGKUCKYTRQJEJQ-FZMZJTMJSA-N 1 1 355.410 2.372 50 0 FEAAMO O=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000095506823 209065268 /nfs/dbraw/zinc/06/52/68/209065268.db2.gz PVSKWECEQVPBLN-HNNXBMFYSA-N 1 1 358.446 2.067 50 0 FEAAMO O[C@@H](COc1ccccc1C[NH+]1CCC(F)CC1)CN1CCSCC1 ZINC000095512615 209068429 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CC[N@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(N)=O)C1 ZINC000004087228 539376187 /nfs/dbraw/zinc/37/61/87/539376187.db2.gz ZQVNUOBFTKYLIF-UHFFFAOYSA-N 1 1 359.451 2.243 50 0 FEAAMO COc1cc(CNCCC[NH2+]CCO)ccc1OCc1ccc(F)cc1 ZINC000013732833 539591687 /nfs/dbraw/zinc/59/16/87/539591687.db2.gz QYPGHCASWRMGHM-UHFFFAOYSA-N 1 1 362.445 2.475 50 0 FEAAMO O=C1N[C@@H](CC2CCCCC2)C(=O)N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000014732967 539604775 /nfs/dbraw/zinc/60/47/75/539604775.db2.gz YDJNDLLGBOSZIR-VQTJNVASSA-N 1 1 369.509 2.211 50 0 FEAAMO O=C1N[C@@H](CC2CCCCC2)C(=O)N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000014732967 539604779 /nfs/dbraw/zinc/60/47/79/539604779.db2.gz YDJNDLLGBOSZIR-VQTJNVASSA-N 1 1 369.509 2.211 50 0 FEAAMO Cc1csc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)n1 ZINC000014952066 539607806 /nfs/dbraw/zinc/60/78/06/539607806.db2.gz YCHZQBMFTAEOJF-SFHVURJKSA-N 1 1 351.516 2.475 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000015013975 539609272 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Cn1c(=O)cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)n(C)c1=O ZINC000022385928 539693998 /nfs/dbraw/zinc/69/39/98/539693998.db2.gz MOKQSXFPGVAMIL-KRWDZBQOSA-N 1 1 373.503 2.355 50 0 FEAAMO Cn1c(=O)cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)n(C)c1=O ZINC000022385928 539694003 /nfs/dbraw/zinc/69/40/03/539694003.db2.gz MOKQSXFPGVAMIL-KRWDZBQOSA-N 1 1 373.503 2.355 50 0 FEAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000022818797 539700667 /nfs/dbraw/zinc/70/06/67/539700667.db2.gz ZCEVHZBNEXTWIS-UHFFFAOYSA-N 1 1 367.449 2.480 50 0 FEAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccc(Cl)cn1 ZINC000023249330 539709996 /nfs/dbraw/zinc/70/99/96/539709996.db2.gz CILKADYCMYODAR-UHFFFAOYSA-N 1 1 374.872 2.370 50 0 FEAAMO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1Cl ZINC000024985834 539745307 /nfs/dbraw/zinc/74/53/07/539745307.db2.gz SUFKYODULPCZDC-PXAZEXFGSA-N 1 1 373.840 2.270 50 0 FEAAMO COC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000026455883 539787664 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Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013056204 539583512 /nfs/dbraw/zinc/58/35/12/539583512.db2.gz IOMDUXRNTWQOQX-OKILXGFUSA-N 1 1 367.515 2.162 50 0 FEAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000020535554 539675876 /nfs/dbraw/zinc/67/58/76/539675876.db2.gz DFMZRDATZQOKLR-HXUWFJFHSA-N 1 1 372.469 2.449 50 0 FEAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cccc(F)c1 ZINC000020327331 539674409 /nfs/dbraw/zinc/67/44/09/539674409.db2.gz XOIBBLDFUSVZDW-LJQANCHMSA-N 1 1 367.424 2.275 50 0 FEAAMO C[C@@H]1C[N@H+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@H](C)O1 ZINC000020411636 539674579 /nfs/dbraw/zinc/67/45/79/539674579.db2.gz AGRFRTKLCPEWTJ-XHJFGODYSA-N 1 1 363.498 2.381 50 0 FEAAMO Cc1nc2ncccn2c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000020907948 539678514 /nfs/dbraw/zinc/67/85/14/539678514.db2.gz KYHFYESNIQNDJZ-HXUWFJFHSA-N 1 1 353.470 2.376 50 0 FEAAMO NC(=O)CCN1CC[NH+](Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000022926551 539702616 /nfs/dbraw/zinc/70/26/16/539702616.db2.gz NCJBDMOLNTXGGN-UHFFFAOYSA-N 1 1 363.465 2.223 50 0 FEAAMO CCN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022466293 539695994 /nfs/dbraw/zinc/69/59/94/539695994.db2.gz VKZRATRVJOEJLV-IBGZPJMESA-N 1 1 364.530 2.378 50 0 FEAAMO O=C([C@H]1CC=CCC1)N1CCC(Cn2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000023506413 539715847 /nfs/dbraw/zinc/71/58/47/539715847.db2.gz LKTQRVHZGZVDIT-SFHVURJKSA-N 1 1 357.502 2.469 50 0 FEAAMO O=c1c2ccccc2cnn1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000028891343 539838938 /nfs/dbraw/zinc/83/89/38/539838938.db2.gz VWQVOOHQQOYERS-UHFFFAOYSA-N 1 1 364.449 2.051 50 0 FEAAMO COc1cc(Br)c(C[NH2+][C@H]2CCCCNC2=O)cc1OC ZINC000037282625 539996304 /nfs/dbraw/zinc/99/63/04/539996304.db2.gz PXXJKUZHONISEY-LBPRGKRZSA-N 1 1 357.248 2.225 50 0 FEAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)COc1cccc(F)c1 ZINC000058305312 540838192 /nfs/dbraw/zinc/83/81/92/540838192.db2.gz QQIUODHUAQTLGU-SFHVURJKSA-N 1 1 371.412 2.293 50 0 FEAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1NC(=O)COc1cccc(F)c1 ZINC000058305312 540838197 /nfs/dbraw/zinc/83/81/97/540838197.db2.gz QQIUODHUAQTLGU-SFHVURJKSA-N 1 1 371.412 2.293 50 0 FEAAMO C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058331586 540839287 /nfs/dbraw/zinc/83/92/87/540839287.db2.gz DQNFVKMDWZLMIP-NVXWUHKLSA-N 1 1 361.461 2.022 50 0 FEAAMO C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058331586 540839291 /nfs/dbraw/zinc/83/92/91/540839291.db2.gz DQNFVKMDWZLMIP-NVXWUHKLSA-N 1 1 361.461 2.022 50 0 FEAAMO CCOC(=O)NC1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000058159996 540830826 /nfs/dbraw/zinc/83/08/26/540830826.db2.gz NTSBVUVMFYXFCZ-CYBMUJFWSA-N 1 1 351.422 2.041 50 0 FEAAMO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000058201678 540833177 /nfs/dbraw/zinc/83/31/77/540833177.db2.gz JJAAGXYNCGIRLS-UHFFFAOYSA-N 1 1 368.485 2.462 50 0 FEAAMO CCn1c(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)cc2ccccc21 ZINC000058216259 540833962 /nfs/dbraw/zinc/83/39/62/540833962.db2.gz LKHOPBSEFJSQIC-UHFFFAOYSA-N 1 1 368.481 2.134 50 0 FEAAMO Cc1cc(C)n(CCCNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000058226831 540835054 /nfs/dbraw/zinc/83/50/54/540835054.db2.gz QLLWVIVNZSAJDI-KSZLIROESA-N 1 1 350.507 2.140 50 0 FEAAMO Cc1cc(C)n(CCCNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000058226831 540835057 /nfs/dbraw/zinc/83/50/57/540835057.db2.gz QLLWVIVNZSAJDI-KSZLIROESA-N 1 1 350.507 2.140 50 0 FEAAMO CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1nc([C@H](C)[NH3+])n[nH]1 ZINC000063882107 541190526 /nfs/dbraw/zinc/19/05/26/541190526.db2.gz OJNPHGNWYSHYBR-LBPRGKRZSA-N 1 1 373.457 2.313 50 0 FEAAMO CC(C)C[C@H]1COCC[N@@H+]1Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065381118 541234931 /nfs/dbraw/zinc/23/49/31/541234931.db2.gz FOAVCKPBNMXBPF-KRWDZBQOSA-N 1 1 357.458 2.314 50 0 FEAAMO CC(C)C[C@H]1COCC[N@H+]1Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065381118 541234934 /nfs/dbraw/zinc/23/49/34/541234934.db2.gz FOAVCKPBNMXBPF-KRWDZBQOSA-N 1 1 357.458 2.314 50 0 FEAAMO CNC(=O)Cn1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000065536424 541244096 /nfs/dbraw/zinc/24/40/96/541244096.db2.gz REIFSFFPJVGAEO-OAHLLOKOSA-N 1 1 369.469 2.113 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(C(=O)CC3=CSC4=NCCN34)CC2)c1 ZINC000101921774 209230762 /nfs/dbraw/zinc/23/07/62/209230762.db2.gz DPRCCTYUHHABRH-UHFFFAOYSA-N 1 1 356.495 2.289 50 0 FEAAMO O[C@H]1CCCN(c2cc[nH+]c(NCc3c[nH]nc3-c3ccccc3)n2)C1 ZINC000067473135 541469441 /nfs/dbraw/zinc/46/94/41/541469441.db2.gz VRWFNWFWXFTKQL-INIZCTEOSA-N 1 1 350.426 2.440 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1 ZINC000067621056 541491596 /nfs/dbraw/zinc/49/15/96/541491596.db2.gz ZUHYOVLOPSATMR-UHFFFAOYSA-N 1 1 366.400 2.072 50 0 FEAAMO C[N@H+]1CC[C@H](CNC(=O)c2coc(COc3cccc4cccnc43)n2)C1 ZINC000067676340 541497910 /nfs/dbraw/zinc/49/79/10/541497910.db2.gz XENJKUMVPZBEAD-CQSZACIVSA-N 1 1 366.421 2.483 50 0 FEAAMO Cc1ccc(C(=O)NCc2cccnc2N2CCC[N@H+](C)CC2)c(O)c1 ZINC000067773062 541511325 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FEAAMO CC(C)[N@H+]1CCCn2nc(C(=O)NCCc3[nH]nc4c3CCCC4)cc2C1 ZINC000067894832 541526776 /nfs/dbraw/zinc/52/67/76/541526776.db2.gz QLYMARWIMJDJFU-UHFFFAOYSA-N 1 1 370.501 2.072 50 0 FEAAMO COc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3c(C)noc3C)C2)cc1 ZINC000098211986 209207968 /nfs/dbraw/zinc/20/79/68/209207968.db2.gz CZYYEEVDSUWQIV-HNNXBMFYSA-N 1 1 359.426 2.070 50 0 FEAAMO COc1ccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3c(C)noc3C)C2)cc1 ZINC000098211986 209207970 /nfs/dbraw/zinc/20/79/70/209207970.db2.gz CZYYEEVDSUWQIV-HNNXBMFYSA-N 1 1 359.426 2.070 50 0 FEAAMO CCN(Cc1nc(C)no1)C(=O)Nc1ccc(C)c(NC(=O)C[NH+](C)C)c1 ZINC000097766285 209196946 /nfs/dbraw/zinc/19/69/46/209196946.db2.gz UXNVJNJIGQIHNM-UHFFFAOYSA-N 1 1 374.445 2.241 50 0 FEAAMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCO[C@@H](CN2CCOCC2)C1 ZINC000097717395 209192277 /nfs/dbraw/zinc/19/22/77/209192277.db2.gz FCHMCNBMQYLKKZ-NRFANRHFSA-N 1 1 370.497 2.104 50 0 FEAAMO Cc1nc2cc(C(=O)NCC3(N4CC[NH+](C)CC4)CCCC3)ccc2[nH]1 ZINC000097636478 209190451 /nfs/dbraw/zinc/19/04/51/209190451.db2.gz WKSSZVNZEKUBGS-UHFFFAOYSA-N 1 1 355.486 2.161 50 0 FEAAMO O=C(COC[C@@H]1CCCO1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000069255120 541670994 /nfs/dbraw/zinc/67/09/94/541670994.db2.gz SRAILAHZKBEOEK-SFHVURJKSA-N 1 1 350.434 2.056 50 0 FEAAMO O=C(COC[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000069255120 541670997 /nfs/dbraw/zinc/67/09/97/541670997.db2.gz SRAILAHZKBEOEK-SFHVURJKSA-N 1 1 350.434 2.056 50 0 FEAAMO CCN(Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768669 /nfs/dbraw/zinc/76/86/69/541768669.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 1 1 361.515 2.158 50 0 FEAAMO CCN(Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12)C1CC1 ZINC000071708153 541768672 /nfs/dbraw/zinc/76/86/72/541768672.db2.gz PCJSYNKWWGLQQG-UHFFFAOYSA-N 1 1 361.515 2.158 50 0 FEAAMO COc1ccnc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707912 541768779 /nfs/dbraw/zinc/76/87/79/541768779.db2.gz PHRDYARHYXYIHZ-INIZCTEOSA-N 1 1 372.513 2.045 50 0 FEAAMO 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Cc1ccc(NCCCNC(=O)[C@H](c2ccc3c(c2)OCO3)N(C)C)[nH+]c1 ZINC000218987149 548691988 /nfs/dbraw/zinc/69/19/88/548691988.db2.gz NQTCPKZOWAAGBL-IBGZPJMESA-N 1 1 370.453 2.340 50 0 FEAAMO CN(C)c1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000219518034 548694932 /nfs/dbraw/zinc/69/49/32/548694932.db2.gz AESAINABAWZRDW-IBGZPJMESA-N 1 1 352.482 2.471 50 0 FEAAMO CN(C)c1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000219518034 548694936 /nfs/dbraw/zinc/69/49/36/548694936.db2.gz AESAINABAWZRDW-IBGZPJMESA-N 1 1 352.482 2.471 50 0 FEAAMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCOC[C@@H]1Oc1ccc(C)nc1 ZINC000220544503 548701594 /nfs/dbraw/zinc/70/15/94/548701594.db2.gz OJNBKQXTDFXINY-MSOLQXFVSA-N 1 1 358.442 2.028 50 0 FEAAMO Cc1nc2ncnc(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2nc1C ZINC000222286538 548706971 /nfs/dbraw/zinc/70/69/71/548706971.db2.gz XRUCNPHQWDMCQX-KRWDZBQOSA-N 1 1 364.453 2.350 50 0 FEAAMO Cc1nc2ncnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2nc1C ZINC000222286538 548706976 /nfs/dbraw/zinc/70/69/76/548706976.db2.gz XRUCNPHQWDMCQX-KRWDZBQOSA-N 1 1 364.453 2.350 50 0 FEAAMO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2)n1 ZINC000225680980 548740762 /nfs/dbraw/zinc/74/07/62/548740762.db2.gz DYHLXPFFIHQRJG-SJORKVTESA-N 1 1 371.485 2.408 50 0 FEAAMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nncn1C ZINC000229890723 548756673 /nfs/dbraw/zinc/75/66/73/548756673.db2.gz MBFDFDVKADJVMK-XYJFISCASA-N 1 1 370.501 2.428 50 0 FEAAMO COc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(OC(C)C)c1 ZINC000241775956 548885993 /nfs/dbraw/zinc/88/59/93/548885993.db2.gz RQQBUSQNHZOTFT-HNNXBMFYSA-N 1 1 350.459 2.181 50 0 FEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O)c1coc2ccccc12 ZINC000244678502 548892922 /nfs/dbraw/zinc/89/29/22/548892922.db2.gz IETFNJLQLUGTKM-QZTJIDSGSA-N 1 1 351.406 2.193 50 0 FEAAMO O=C(N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O)c1coc2ccccc12 ZINC000244678502 548892923 /nfs/dbraw/zinc/89/29/23/548892923.db2.gz IETFNJLQLUGTKM-QZTJIDSGSA-N 1 1 351.406 2.193 50 0 FEAAMO CC(=O)N(C)c1ccc(NC(=O)CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000244723838 548894197 /nfs/dbraw/zinc/89/41/97/548894197.db2.gz MIHQCTIKBNAAJT-HNNXBMFYSA-N 1 1 358.486 2.166 50 0 FEAAMO Cc1cc(C)cc(NC(=O)CC[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000244899514 548898091 /nfs/dbraw/zinc/89/80/91/548898091.db2.gz ZKZHVDUVNDTUCD-UHFFFAOYSA-N 1 1 354.454 2.418 50 0 FEAAMO O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000244899958 548899150 /nfs/dbraw/zinc/89/91/50/548899150.db2.gz ZTOQSPZYMREJSK-SFHVURJKSA-N 1 1 363.465 2.460 50 0 FEAAMO O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246997514 549259560 /nfs/dbraw/zinc/25/95/60/549259560.db2.gz IGZDLDWJAAKIHV-NVXWUHKLSA-N 1 1 370.428 2.488 50 0 FEAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)N[C@H]1CCCCNC1=O ZINC000247805284 549381568 /nfs/dbraw/zinc/38/15/68/549381568.db2.gz YUUAPWJPGKXISM-RDJZCZTQSA-N 1 1 363.889 2.132 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)N[C@H]1CCCCNC1=O ZINC000247805284 549381570 /nfs/dbraw/zinc/38/15/70/549381570.db2.gz YUUAPWJPGKXISM-RDJZCZTQSA-N 1 1 363.889 2.132 50 0 FEAAMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1COc2ccccc21 ZINC000249104129 549551752 /nfs/dbraw/zinc/55/17/52/549551752.db2.gz KWFYERSFSOOWOD-YQQAZPJKSA-N 1 1 361.486 2.038 50 0 FEAAMO Cn1cnnc1C1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497541 549670082 /nfs/dbraw/zinc/67/00/82/549670082.db2.gz QKBXASIJJHDDKJ-FQEVSTJZSA-N 1 1 369.513 2.286 50 0 FEAAMO Cn1cnnc1C1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000252497541 549670084 /nfs/dbraw/zinc/67/00/84/549670084.db2.gz QKBXASIJJHDDKJ-FQEVSTJZSA-N 1 1 369.513 2.286 50 0 FEAAMO Cc1ccsc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000252505393 549671289 /nfs/dbraw/zinc/67/12/89/549671289.db2.gz VQRCSGBANLJLOL-BSLVTKGXSA-N 1 1 367.518 2.354 50 0 FEAAMO COc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]2CCCO2)cc1OC ZINC000253376258 549684475 /nfs/dbraw/zinc/68/44/75/549684475.db2.gz SNPSRDWCJOSWNY-QZTJIDSGSA-N 1 1 367.486 2.471 50 0 FEAAMO CC[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC[C@H]1[NH3+] ZINC000253370458 549685011 /nfs/dbraw/zinc/68/50/11/549685011.db2.gz RDLFOMPUFCHVNJ-VQIMIIECSA-N 1 1 365.543 2.207 50 0 FEAAMO CC(C)(C)OC(=O)N1[C@@H](C[N@@H+]2CCCC3(C2)OCCO3)COC1(C)C ZINC000253426863 549688498 /nfs/dbraw/zinc/68/84/98/549688498.db2.gz BGVURRGNCIRTNM-AWEZNQCLSA-N 1 1 356.463 2.197 50 0 FEAAMO CC(C)(C)OC(=O)N1[C@@H](C[N@H+]2CCCC3(C2)OCCO3)COC1(C)C ZINC000253426863 549688502 /nfs/dbraw/zinc/68/85/02/549688502.db2.gz BGVURRGNCIRTNM-AWEZNQCLSA-N 1 1 356.463 2.197 50 0 FEAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H]2CCc3n[nH]c(=O)n3CC2)cc1C ZINC000257191033 549714835 /nfs/dbraw/zinc/71/48/35/549714835.db2.gz OSKUOJDOOACEHM-QGZVFWFLSA-N 1 1 366.469 2.415 50 0 FEAAMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cs1)C1CC1 ZINC000285563845 551775329 /nfs/dbraw/zinc/77/53/29/551775329.db2.gz SUCGMZFTJFBGJU-GDBMZVCRSA-N 1 1 364.515 2.441 50 0 FEAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cccc(-c2ccc[nH]c2=O)c1 ZINC000299760139 553610912 /nfs/dbraw/zinc/61/09/12/553610912.db2.gz HLRBIULCPRNSOK-KRWDZBQOSA-N 1 1 355.438 2.031 50 0 FEAAMO Cc1nccn1CC[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000299765489 553612529 /nfs/dbraw/zinc/61/25/29/553612529.db2.gz BIRYZQACGSZIBP-HXUWFJFHSA-N 1 1 369.513 2.077 50 0 FEAAMO C[NH+]1CCN(CC2(CNC(=O)[C@H](O)c3ccc4ccccc4c3)CC2)CC1 ZINC000299765841 553612637 /nfs/dbraw/zinc/61/26/37/553612637.db2.gz YLBKRZUOOTYTQJ-HXUWFJFHSA-N 1 1 367.493 2.017 50 0 FEAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CCN(CCCCO)CC1 ZINC000299779181 553613581 /nfs/dbraw/zinc/61/35/81/553613581.db2.gz SMWXQWVDFPLQJR-HBMCJLEFSA-N 1 1 371.525 2.129 50 0 FEAAMO C[N@H+]1CCN2CCN(C(=O)c3ccc(COc4ccccc4)cc3)C[C@H]2C1 ZINC000299779364 553613747 /nfs/dbraw/zinc/61/37/47/553613747.db2.gz VDWASWHYPLOQKG-HXUWFJFHSA-N 1 1 365.477 2.337 50 0 FEAAMO Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000299778809 553613879 /nfs/dbraw/zinc/61/38/79/553613879.db2.gz OJYPJMYXSNBNOS-CVEARBPZSA-N 1 1 362.474 2.166 50 0 FEAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)NCc1ccccn1)C2 ZINC000299777287 553614049 /nfs/dbraw/zinc/61/40/49/553614049.db2.gz MSOSQVWUOFBNMH-HNNXBMFYSA-N 1 1 355.438 2.380 50 0 FEAAMO COc1cc(CCC(=O)NCC2(CN3CC[NH+](C)CC3)CC2)ccc1C ZINC000299776559 553614095 /nfs/dbraw/zinc/61/40/95/553614095.db2.gz MCEMTGGHLBDRFF-UHFFFAOYSA-N 1 1 359.514 2.080 50 0 FEAAMO O=C(CN1CCOC1=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000299791731 553615007 /nfs/dbraw/zinc/61/50/07/553615007.db2.gz HSCLPIPMFRNPTQ-INIZCTEOSA-N 1 1 365.861 2.435 50 0 FEAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCCc2cccc(C(F)(F)F)c2)C1 ZINC000299797051 553615778 /nfs/dbraw/zinc/61/57/78/553615778.db2.gz PGAXBIOLQQARHF-MRXNPFEDSA-N 1 1 357.420 2.390 50 0 FEAAMO CN(CCC(=O)NCCc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000299797051 553615782 /nfs/dbraw/zinc/61/57/82/553615782.db2.gz PGAXBIOLQQARHF-MRXNPFEDSA-N 1 1 357.420 2.390 50 0 FEAAMO CN(CCC(=O)NCCc1cccc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000299797051 553615786 /nfs/dbraw/zinc/61/57/86/553615786.db2.gz PGAXBIOLQQARHF-MRXNPFEDSA-N 1 1 357.420 2.390 50 0 FEAAMO CN(C)S(=O)(=O)CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000331653957 554302654 /nfs/dbraw/zinc/30/26/54/554302654.db2.gz WKLMXDWIPPWXHS-UHFFFAOYSA-N 1 1 357.545 2.093 50 0 FEAAMO CC(=O)N1CCN(C(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)CC1 ZINC000426489596 559735671 /nfs/dbraw/zinc/73/56/71/559735671.db2.gz IRSMVMOZFCZTRZ-LJQANCHMSA-N 1 1 369.469 2.197 50 0 FEAAMO COc1cccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)c1OC ZINC000426491357 559735694 /nfs/dbraw/zinc/73/56/94/559735694.db2.gz DSNIPMQNEZMHBB-XKGZKEIXSA-N 1 1 365.470 2.225 50 0 FEAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCc1nc(C(F)(F)F)n[nH]1 ZINC000426489884 559735785 /nfs/dbraw/zinc/73/57/85/559735785.db2.gz IBWWMCIWOLPWJV-NWDGAFQWSA-N 1 1 359.396 2.484 50 0 FEAAMO Cc1cnccc1-c1ccc(C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000426517997 559736574 /nfs/dbraw/zinc/73/65/74/559736574.db2.gz WFYAERBXVKWQDJ-QGZVFWFLSA-N 1 1 353.466 2.491 50 0 FEAAMO Cc1cccc2nc(CNC(=O)[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)cn21 ZINC000426534509 559737182 /nfs/dbraw/zinc/73/71/82/559737182.db2.gz SXGDAJHWGOTAMJ-IBGZPJMESA-N 1 1 366.421 2.291 50 0 FEAAMO CC(C)Cc1noc(CN(C)C(=O)[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)n1 ZINC000426552427 559737711 /nfs/dbraw/zinc/73/77/11/559737711.db2.gz ZSMPTZMSEQDSCW-SFHVURJKSA-N 1 1 374.441 2.258 50 0 FEAAMO CCNc1ccnc(-c2cccc(C(=O)NCCn3c[nH+]c(C)c3C)c2)n1 ZINC000426575185 559738055 /nfs/dbraw/zinc/73/80/55/559738055.db2.gz YBGBPXQGFZSLBD-UHFFFAOYSA-N 1 1 364.453 2.819 50 0 FEAAMO COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581326 559738253 /nfs/dbraw/zinc/73/82/53/559738253.db2.gz SPJQIWJUZZTPKU-QGZVFWFLSA-N 1 1 369.465 2.037 50 0 FEAAMO Cc1cccc(=O)n1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000426649816 559739617 /nfs/dbraw/zinc/73/96/17/559739617.db2.gz YHWQSBDMVDGKIK-NRFANRHFSA-N 1 1 357.498 2.271 50 0 FEAAMO COc1ccc([C@H](C)N(C)C(=O)NCCC[NH+]2CCOCC2)c(OC)c1 ZINC000426701497 559740588 /nfs/dbraw/zinc/74/05/88/559740588.db2.gz WBWPFGFNOWKJRW-HNNXBMFYSA-N 1 1 365.474 2.129 50 0 FEAAMO COCc1noc(C[NH2+][C@@H](C)CCc2c(C)[nH]c3ccccc3c2=O)n1 ZINC000534581067 562537315 /nfs/dbraw/zinc/53/73/15/562537315.db2.gz HYNICGXRTJGKFF-LBPRGKRZSA-N 1 1 356.426 2.477 50 0 FEAAMO CC[N@H+]1C[C@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)[C@@H](OC)C1 ZINC000584901925 570510723 /nfs/dbraw/zinc/51/07/23/570510723.db2.gz ZFDIRRFWEZOHDM-OALUTQOASA-N 1 1 357.498 2.395 50 0 FEAAMO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)C2 ZINC000075877425 570619696 /nfs/dbraw/zinc/61/96/96/570619696.db2.gz VTPWAFLSENGPBX-IRXDYDNUSA-N 1 1 373.545 2.418 50 0 FEAAMO O=C(Nc1ccccn1)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 ZINC000048289118 570941207 /nfs/dbraw/zinc/94/12/07/570941207.db2.gz RESGPGKGQLQCNH-UHFFFAOYSA-N 1 1 352.394 2.298 50 0 FEAAMO CNc1nc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000083884237 571056065 /nfs/dbraw/zinc/05/60/65/571056065.db2.gz NDTAYIWBMOORSP-UHFFFAOYSA-N 1 1 373.526 2.123 50 0 FEAAMO CCNc1ncc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 ZINC000426389240 571132079 /nfs/dbraw/zinc/13/20/79/571132079.db2.gz IWTLWQPSJPKQBT-WSTZPKSXSA-N 1 1 360.502 2.847 50 0 FEAAMO C[C@H](NC(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1nc(-c2cccnc2)no1 ZINC000426358170 571214695 /nfs/dbraw/zinc/21/46/95/571214695.db2.gz DDTHEYFQJLMMFX-AWEZNQCLSA-N 1 1 370.457 2.320 50 0 FEAAMO CN1CC[NH+]([C@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000426387140 571218300 /nfs/dbraw/zinc/21/83/00/571218300.db2.gz TUWPPYNPQQCJFK-NRFANRHFSA-N 1 1 366.509 2.414 50 0 FEAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426431736 571224779 /nfs/dbraw/zinc/22/47/79/571224779.db2.gz FJHBSOIENQFUCE-SFHVURJKSA-N 1 1 368.485 2.289 50 0 FEAAMO COc1ccc(-c2ccc(C(=O)N3CC[NH+](CCSC)CC3)cc2)nn1 ZINC000426441731 571225440 /nfs/dbraw/zinc/22/54/40/571225440.db2.gz HBHAKLAJAOEDTD-UHFFFAOYSA-N 1 1 372.494 2.273 50 0 FEAAMO Cc1ccc(S(=O)(=O)N2CC(NC[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC000584887885 571314118 /nfs/dbraw/zinc/31/41/18/571314118.db2.gz IRPBCGUMOLNDGW-QGZVFWFLSA-N 1 1 365.543 2.078 50 0 FEAAMO CCCOc1ccc(CCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OC ZINC000584899570 571316021 /nfs/dbraw/zinc/31/60/21/571316021.db2.gz NTLZZYLUYDUSCS-CALCHBBNSA-N 1 1 361.486 2.230 50 0 FEAAMO O=S(=O)(C[C@H]1CCOC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000106448072 670812259 /nfs/dbraw/zinc/81/22/59/670812259.db2.gz YQSUDDTVYWTAAL-HNNXBMFYSA-N 1 1 372.918 2.260 50 0 FEAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Cl ZINC000010331097 539516202 /nfs/dbraw/zinc/51/62/02/539516202.db2.gz MQDWCCFUDXUSGJ-ZDUSSCGKSA-N 1 1 365.817 2.299 50 0 FEAAMO Cn1cc[nH+]c1N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000011027478 539523786 /nfs/dbraw/zinc/52/37/86/539523786.db2.gz RULJSSZVHQUTPR-UHFFFAOYSA-N 1 1 367.375 2.200 50 0 FEAAMO C[N@@H+](CCCNC(=O)c1n[nH]c(=O)c2ccccc21)Cc1ccccc1 ZINC000012601724 539566880 /nfs/dbraw/zinc/56/68/80/539566880.db2.gz DNLBPLUUNDSYGG-UHFFFAOYSA-N 1 1 350.422 2.175 50 0 FEAAMO O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]1c1nnc2ccccn21 ZINC000012781150 539573773 /nfs/dbraw/zinc/57/37/73/539573773.db2.gz KXLZSTJSBZPIRO-QZTJIDSGSA-N 1 1 352.438 2.444 50 0 FEAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]1c1nnc2ccccn21 ZINC000012781150 539573777 /nfs/dbraw/zinc/57/37/77/539573777.db2.gz KXLZSTJSBZPIRO-QZTJIDSGSA-N 1 1 352.438 2.444 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(C)Cc2c(Cl)nc3sccn23)CC1 ZINC000012790517 539574109 /nfs/dbraw/zinc/57/41/09/539574109.db2.gz ZDNRFTCWIAGZRS-GFCCVEGCSA-N 1 1 369.922 2.034 50 0 FEAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)sc2C1 ZINC000012933993 539579836 /nfs/dbraw/zinc/57/98/36/539579836.db2.gz HUVBUWIDHWJRBP-AWEZNQCLSA-N 1 1 357.435 2.241 50 0 FEAAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)sc2C1 ZINC000012933993 539579840 /nfs/dbraw/zinc/57/98/40/539579840.db2.gz HUVBUWIDHWJRBP-AWEZNQCLSA-N 1 1 357.435 2.241 50 0 FEAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c2ccccc2O1 ZINC000012987841 539581758 /nfs/dbraw/zinc/58/17/58/539581758.db2.gz BMFAZEDIKAQUFV-KXBFYZLASA-N 1 1 367.449 2.220 50 0 FEAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c2ccccc2O1 ZINC000012987841 539581762 /nfs/dbraw/zinc/58/17/62/539581762.db2.gz BMFAZEDIKAQUFV-KXBFYZLASA-N 1 1 367.449 2.220 50 0 FEAAMO Cc1c(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)cnn1C ZINC000014981372 539607836 /nfs/dbraw/zinc/60/78/36/539607836.db2.gz ZQWVQFOXQOGADM-SFHVURJKSA-N 1 1 370.501 2.340 50 0 FEAAMO CSc1ncc(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)cn1 ZINC000019223426 539653944 /nfs/dbraw/zinc/65/39/44/539653944.db2.gz DGXCLQACCLKNIU-INIZCTEOSA-N 1 1 364.540 2.329 50 0 FEAAMO CSc1ncc(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)cn1 ZINC000019223426 539653947 /nfs/dbraw/zinc/65/39/47/539653947.db2.gz DGXCLQACCLKNIU-INIZCTEOSA-N 1 1 364.540 2.329 50 0 FEAAMO Cc1ccccc1[C@H](C(=O)NCc1nc2ccccc2c(=O)[nH]1)[NH+](C)C ZINC000020778210 539677644 /nfs/dbraw/zinc/67/76/44/539677644.db2.gz KATBLGXCRDJTBT-GOSISDBHSA-N 1 1 350.422 2.151 50 0 FEAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000021005122 539680099 /nfs/dbraw/zinc/68/00/99/539680099.db2.gz JUMVNJUYNKWUCQ-UHFFFAOYSA-N 1 1 355.438 2.376 50 0 FEAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000020914645 539678249 /nfs/dbraw/zinc/67/82/49/539678249.db2.gz KUJNLLGBWMQTDG-IBGZPJMESA-N 1 1 350.478 2.427 50 0 FEAAMO CC(C)(CN1CCO[C@@H](Cc2cccc(F)c2)C1)C[NH+]1CCOCC1 ZINC000020914645 539678258 /nfs/dbraw/zinc/67/82/58/539678258.db2.gz KUJNLLGBWMQTDG-IBGZPJMESA-N 1 1 350.478 2.427 50 0 FEAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022147231 539691932 /nfs/dbraw/zinc/69/19/32/539691932.db2.gz MWCAOVXNVQIMFT-QGZVFWFLSA-N 1 1 374.412 2.116 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000022693878 539696981 /nfs/dbraw/zinc/69/69/81/539696981.db2.gz XMFLYOZNHOHIFA-HNNXBMFYSA-N 1 1 360.458 2.433 50 0 FEAAMO O=c1oc(-c2cccs2)nn1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022804788 539700014 /nfs/dbraw/zinc/70/00/14/539700014.db2.gz IBBUEFYVCHSSQS-UHFFFAOYSA-N 1 1 362.480 2.402 50 0 FEAAMO COc1ccc(C[NH+]2CCN(Cc3nc4ccsc4c(=O)[nH]3)CC2)cc1 ZINC000023248887 539710600 /nfs/dbraw/zinc/71/06/00/539710600.db2.gz CZDCTWHUJWYFPP-UHFFFAOYSA-N 1 1 370.478 2.311 50 0 FEAAMO CN(C)c1ncc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)s1 ZINC000023360341 539712518 /nfs/dbraw/zinc/71/25/18/539712518.db2.gz IDLZBQUKKQAYKU-KRWDZBQOSA-N 1 1 360.527 2.278 50 0 FEAAMO CN(C)c1ncc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)s1 ZINC000023360341 539712523 /nfs/dbraw/zinc/71/25/23/539712523.db2.gz IDLZBQUKKQAYKU-KRWDZBQOSA-N 1 1 360.527 2.278 50 0 FEAAMO Cc1cccc(CN2CC[N@H+](C3CSCCSC3)C[C@@H]2CCO)n1 ZINC000023374799 539712888 /nfs/dbraw/zinc/71/28/88/539712888.db2.gz UHSRYXJWFLOYSR-KRWDZBQOSA-N 1 1 367.584 2.107 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)c1ccccn1 ZINC000023399504 539714273 /nfs/dbraw/zinc/71/42/73/539714273.db2.gz UWYOAJQKEZNSMT-VIFPVBQESA-N 1 1 360.365 2.376 50 0 FEAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000028278894 539830158 /nfs/dbraw/zinc/83/01/58/539830158.db2.gz JUKWDFFUCBWRPL-QGZVFWFLSA-N 1 1 360.479 2.420 50 0 FEAAMO COc1cccc(C[N@@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000037170643 539996182 /nfs/dbraw/zinc/99/61/82/539996182.db2.gz FKQHAZXOJGHHMR-UHFFFAOYSA-N 1 1 368.481 2.261 50 0 FEAAMO Cc1cccc2[nH]c(C[N@@H+](C)C[C@]3(O)CCCN(CC4CCC4)C3=O)nc21 ZINC000053537572 540541323 /nfs/dbraw/zinc/54/13/23/540541323.db2.gz YYLQAXQTOQLNHW-OAQYLSRUSA-N 1 1 370.497 2.457 50 0 FEAAMO Cc1cccc2[nH]c(C[N@H+](C)C[C@]3(O)CCCN(CC4CCC4)C3=O)nc21 ZINC000053537572 540541326 /nfs/dbraw/zinc/54/13/26/540541326.db2.gz YYLQAXQTOQLNHW-OAQYLSRUSA-N 1 1 370.497 2.457 50 0 FEAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000054224042 540576556 /nfs/dbraw/zinc/57/65/56/540576556.db2.gz GBWJUBACLCACNA-ZFWWWQNUSA-N 1 1 372.498 2.052 50 0 FEAAMO CCCCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055029208 540622408 /nfs/dbraw/zinc/62/24/08/540622408.db2.gz WEEUHHVRJLXKRC-OAHLLOKOSA-N 1 1 352.523 2.388 50 0 FEAAMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000057996615 540826555 /nfs/dbraw/zinc/82/65/55/540826555.db2.gz NLYYGCPFNHZKKS-UHFFFAOYSA-N 1 1 356.474 2.020 50 0 FEAAMO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058342934 540840009 /nfs/dbraw/zinc/84/00/09/540840009.db2.gz FMDVSDJGNAICOW-AWEZNQCLSA-N 1 1 353.426 2.154 50 0 FEAAMO O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000058172324 540831192 /nfs/dbraw/zinc/83/11/92/540831192.db2.gz WFMXPEZWGRPBSY-GOSISDBHSA-N 1 1 371.481 2.050 50 0 FEAAMO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000058203084 540833242 /nfs/dbraw/zinc/83/32/42/540833242.db2.gz FTHYDKQDWBRGNO-CYBMUJFWSA-N 1 1 352.504 2.127 50 0 FEAAMO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058216299 540833881 /nfs/dbraw/zinc/83/38/81/540833881.db2.gz ARGYFVLMHPKKFG-HNNXBMFYSA-N 1 1 366.531 2.128 50 0 FEAAMO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000058381418 540840993 /nfs/dbraw/zinc/84/09/93/540840993.db2.gz USSSGWUGYSCAJT-SFHVURJKSA-N 1 1 358.413 2.406 50 0 FEAAMO CCC1CCC([N@@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000048354347 209330462 /nfs/dbraw/zinc/33/04/62/209330462.db2.gz SYSADQKCEBQOBN-UHFFFAOYSA-N 1 1 364.490 2.173 50 0 FEAAMO O=C(c1n[nH]c2ccccc21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000060063201 540867232 /nfs/dbraw/zinc/86/72/32/540867232.db2.gz CRIBAVNDJQBBGP-UHFFFAOYSA-N 1 1 370.375 2.290 50 0 FEAAMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000106942960 209273854 /nfs/dbraw/zinc/27/38/54/209273854.db2.gz ACAAEUGJZFLRHS-MRXNPFEDSA-N 1 1 354.520 2.158 50 0 FEAAMO O=C(CC[NH+]1CCCCCCC1)N1CCC(CN2CCOCC2)CC1 ZINC000063848411 541188048 /nfs/dbraw/zinc/18/80/48/541188048.db2.gz ITDMJGCRQPBBBT-UHFFFAOYSA-N 1 1 351.535 2.213 50 0 FEAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000065399034 541235763 /nfs/dbraw/zinc/23/57/63/541235763.db2.gz LCZJMPQEUBGKAH-QGZVFWFLSA-N 1 1 354.454 2.301 50 0 FEAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-n2ccnc2-c2cccnc2)cc1 ZINC000065406927 541235906 /nfs/dbraw/zinc/23/59/06/541235906.db2.gz JJINFQZCFFKEBQ-LJQANCHMSA-N 1 1 350.422 2.300 50 0 FEAAMO CCc1[nH+]ccn1C[C@H](C)N1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065422803 541237160 /nfs/dbraw/zinc/23/71/60/541237160.db2.gz MGDLVSLNCBWADX-INIZCTEOSA-N 1 1 370.501 2.172 50 0 FEAAMO OC1CCN(c2cc[nH+]c(NCc3ccccc3Cn3cccn3)n2)CC1 ZINC000065436111 541237731 /nfs/dbraw/zinc/23/77/31/541237731.db2.gz VOHBJXKYKZKPGM-UHFFFAOYSA-N 1 1 364.453 2.295 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000065509337 541242203 /nfs/dbraw/zinc/24/22/03/541242203.db2.gz SEMQMGYDGMILJN-PXNSSMCTSA-N 1 1 355.438 2.310 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000065509337 541242205 /nfs/dbraw/zinc/24/22/05/541242205.db2.gz SEMQMGYDGMILJN-PXNSSMCTSA-N 1 1 355.438 2.310 50 0 FEAAMO Cc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000065509337 541242207 /nfs/dbraw/zinc/24/22/07/541242207.db2.gz SEMQMGYDGMILJN-PXNSSMCTSA-N 1 1 355.438 2.310 50 0 FEAAMO Cc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000065509337 541242209 /nfs/dbraw/zinc/24/22/09/541242209.db2.gz SEMQMGYDGMILJN-PXNSSMCTSA-N 1 1 355.438 2.310 50 0 FEAAMO CCOc1ccccc1CN(CC)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065534292 541243692 /nfs/dbraw/zinc/24/36/92/541243692.db2.gz PBRNVRTXJSRYAR-KRWDZBQOSA-N 1 1 361.486 2.033 50 0 FEAAMO CCOc1ccccc1CN(CC)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065534292 541243696 /nfs/dbraw/zinc/24/36/96/541243696.db2.gz PBRNVRTXJSRYAR-KRWDZBQOSA-N 1 1 361.486 2.033 50 0 FEAAMO COc1ccc2[nH]c(CNC(=O)[C@H]3[C@@H]4C[N@@H+](C5CCCC5)C[C@@H]43)nc2c1 ZINC000102462284 209235823 /nfs/dbraw/zinc/23/58/23/209235823.db2.gz YHCXKEFSFMVLSV-QWHZDKJVSA-N 1 1 354.454 2.308 50 0 FEAAMO COc1ccc2nc(CNC(=O)[C@H]3[C@@H]4C[N@H+](C5CCCC5)C[C@@H]43)[nH]c2c1 ZINC000102462284 209235826 /nfs/dbraw/zinc/23/58/26/209235826.db2.gz YHCXKEFSFMVLSV-QWHZDKJVSA-N 1 1 354.454 2.308 50 0 FEAAMO COc1ccc2nc(CNC(=O)[C@H]3[C@@H]4C[N@@H+](C5CCCC5)C[C@@H]43)[nH]c2c1 ZINC000102462284 209235829 /nfs/dbraw/zinc/23/58/29/209235829.db2.gz YHCXKEFSFMVLSV-QWHZDKJVSA-N 1 1 354.454 2.308 50 0 FEAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2NCc2ccco2)[NH+](C)C)cc1 ZINC000101696285 209229039 /nfs/dbraw/zinc/22/90/39/209229039.db2.gz AQLZKPSQGKSODT-MRXNPFEDSA-N 1 1 369.421 2.211 50 0 FEAAMO CC(C)Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]c(=O)n1 ZINC000067588123 541484243 /nfs/dbraw/zinc/48/42/43/541484243.db2.gz NUEARRGULJPIFB-GOSISDBHSA-N 1 1 354.454 2.097 50 0 FEAAMO CC(C)Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]c(=O)n1 ZINC000067588123 541484247 /nfs/dbraw/zinc/48/42/47/541484247.db2.gz NUEARRGULJPIFB-GOSISDBHSA-N 1 1 354.454 2.097 50 0 FEAAMO COC(=O)Cc1cc(C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)n[nH]1 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CO[C@]12CC[N@@H+](Cc3coc4ccccc4c3=O)[C@H]1C[C@H](OCCO)CC2 ZINC000426431843 571224827 /nfs/dbraw/zinc/22/48/27/571224827.db2.gz LKGGNCCWFQARHA-LKUPVBHCSA-N 1 1 373.449 2.314 50 0 FEAAMO CCC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2nc(-c3ccncc3)no2)C1 ZINC000426474245 571227220 /nfs/dbraw/zinc/22/72/20/571227220.db2.gz KLFMQQBRVZXABU-HNNXBMFYSA-N 1 1 358.446 2.147 50 0 FEAAMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)sc1C ZINC000012714480 670003367 /nfs/dbraw/zinc/00/33/67/670003367.db2.gz JVBLGGXJPLRXHO-MRXNPFEDSA-N 1 1 364.559 2.225 50 0 FEAAMO Cc1ncsc1CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000014954525 670009592 /nfs/dbraw/zinc/00/95/92/670009592.db2.gz BPSCAUKOMJQICC-INIZCTEOSA-N 1 1 364.559 2.307 50 0 FEAAMO O=C(NCCN1CCNC1=O)c1ccc([C@H]2CCC[N@H+]2C2CCC2)s1 ZINC000023311497 670047627 /nfs/dbraw/zinc/04/76/27/670047627.db2.gz BPEGXMJAKJTAGQ-CQSZACIVSA-N 1 1 362.499 2.193 50 0 FEAAMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COCCO1 ZINC000066841830 670448333 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C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1N=C(c2ccccc2)CCC1=O ZINC000004688097 539390605 /nfs/dbraw/zinc/39/06/05/539390605.db2.gz FWIXGEDYWTULDY-CALCHBBNSA-N 1 1 370.497 2.392 50 0 FEAAMO Cc1cccc(OCC[N@H+](C)CCC(=O)Nc2sccc2C(N)=O)c1 ZINC000008753180 539491930 /nfs/dbraw/zinc/49/19/30/539491930.db2.gz QBSPSULOXXPSQD-UHFFFAOYSA-N 1 1 361.467 2.495 50 0 FEAAMO Cn1cccc1[C@H](CNS(=O)(=O)c1ccccc1F)[NH+]1CCCC1 ZINC000011846861 539537245 /nfs/dbraw/zinc/53/72/45/539537245.db2.gz PLZWCAWNGVFUDH-INIZCTEOSA-N 1 1 351.447 2.280 50 0 FEAAMO COc1ccc(-c2nc(CC(=O)N3CC[NH+](C)CC3)cs2)cc1OC ZINC000013693170 539590829 /nfs/dbraw/zinc/59/08/29/539590829.db2.gz RCKNYIXQOGFVDK-UHFFFAOYSA-N 1 1 361.467 2.144 50 0 FEAAMO CCN1CCC([NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000014948080 539607647 /nfs/dbraw/zinc/60/76/47/539607647.db2.gz MOZGOJIQAKMVRV-IBGZPJMESA-N 1 1 373.545 2.137 50 0 FEAAMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000015066369 539610884 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O=C(Nc1nc(CCc2ccccc2)n[nH]1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000020203083 539673352 /nfs/dbraw/zinc/67/33/52/539673352.db2.gz ANERULXXXASHLR-MRXNPFEDSA-N 1 1 354.458 2.292 50 0 FEAAMO O=C(Nc1n[nH]c(CCc2ccccc2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000020203083 539673354 /nfs/dbraw/zinc/67/33/54/539673354.db2.gz ANERULXXXASHLR-MRXNPFEDSA-N 1 1 354.458 2.292 50 0 FEAAMO O=C(Nc1n[nH]c(CCc2ccccc2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000020203083 539673355 /nfs/dbraw/zinc/67/33/55/539673355.db2.gz ANERULXXXASHLR-MRXNPFEDSA-N 1 1 354.458 2.292 50 0 FEAAMO COc1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1OC ZINC000020915961 539678160 /nfs/dbraw/zinc/67/81/60/539678160.db2.gz MAQZGPSCPFWGLZ-MRXNPFEDSA-N 1 1 358.442 2.205 50 0 FEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1OC ZINC000020915961 539678163 /nfs/dbraw/zinc/67/81/63/539678163.db2.gz MAQZGPSCPFWGLZ-MRXNPFEDSA-N 1 1 358.442 2.205 50 0 FEAAMO C[N@H+](Cc1ccsc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022242118 539692593 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CC(C)[C@@H]1CN(C(=O)Cn2cncn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071708036 541768557 /nfs/dbraw/zinc/76/85/57/541768557.db2.gz ZUNCNTRMMGXSSP-SFHVURJKSA-N 1 1 359.449 2.176 50 0 FEAAMO O=C(NCCF)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071748834 541769461 /nfs/dbraw/zinc/76/94/61/541769461.db2.gz UUALUXQVRWPCPW-LJQANCHMSA-N 1 1 361.505 2.491 50 0 FEAAMO CCc1[nH+]ccn1CC(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 ZINC000071762659 541771427 /nfs/dbraw/zinc/77/14/27/541771427.db2.gz AWRFCYBJAXBBRF-GOSISDBHSA-N 1 1 368.481 2.485 50 0 FEAAMO CC[C@@H]1C[N@H+](Cc2cc(=O)c(OC)c[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071767804 541772104 /nfs/dbraw/zinc/77/21/04/541772104.db2.gz VTTMCVXUSAGGHX-GOSISDBHSA-N 1 1 369.465 2.397 50 0 FEAAMO CC[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)c[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071767804 541772106 /nfs/dbraw/zinc/77/21/06/541772106.db2.gz VTTMCVXUSAGGHX-GOSISDBHSA-N 1 1 369.465 2.397 50 0 FEAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000072129115 541785409 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CC(C)CC1(NC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)CC1 ZINC000072144993 541787846 /nfs/dbraw/zinc/78/78/46/541787846.db2.gz CYAMKBHEQYGNCV-LJQANCHMSA-N 1 1 369.509 2.039 50 0 FEAAMO Cc1cc(=O)c(C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000072157797 541791706 /nfs/dbraw/zinc/79/17/06/541791706.db2.gz NDNHXSISCFLBPX-KRWDZBQOSA-N 1 1 351.450 2.045 50 0 FEAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1cccnc1)C2 ZINC000072161939 541792224 /nfs/dbraw/zinc/79/22/24/541792224.db2.gz UMYUYCISCXKIDR-NJYVYQBISA-N 1 1 359.514 2.421 50 0 FEAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1cccnc1)C2 ZINC000072161939 541792226 /nfs/dbraw/zinc/79/22/26/541792226.db2.gz UMYUYCISCXKIDR-NJYVYQBISA-N 1 1 359.514 2.421 50 0 FEAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 ZINC000072173848 541796167 /nfs/dbraw/zinc/79/61/67/541796167.db2.gz QBINABLRXXGRGF-CQSZACIVSA-N 1 1 363.469 2.488 50 0 FEAAMO C[NH+](C)Cc1cc2n(n1)CCCN(Cc1noc(-c3ccccc3)n1)C2 ZINC000072434564 541813819 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Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000096133543 209117717 /nfs/dbraw/zinc/11/77/17/209117717.db2.gz CEBOLSHVRYWUTN-UHFFFAOYSA-N 1 1 374.577 2.322 50 0 FEAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3oc(C)cc3c2)C[N@@H+]1C ZINC000096132912 209117583 /nfs/dbraw/zinc/11/75/83/209117583.db2.gz LANFWKYROGNZBP-SJORKVTESA-N 1 1 357.454 2.412 50 0 FEAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3oc(C)cc3c2)C[N@H+]1C ZINC000096132912 209117585 /nfs/dbraw/zinc/11/75/85/209117585.db2.gz LANFWKYROGNZBP-SJORKVTESA-N 1 1 357.454 2.412 50 0 FEAAMO CC(=O)N1CCc2[nH]c3ccc(C(=O)N4CC[NH+](C(C)C)CC4)cc3c2C1 ZINC000075483636 542182175 /nfs/dbraw/zinc/18/21/75/542182175.db2.gz NKFMKPLMNKSDPV-UHFFFAOYSA-N 1 1 368.481 2.239 50 0 FEAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)c1cccc(-c2cncnc2)c1 ZINC000299757204 206632446 /nfs/dbraw/zinc/63/24/46/206632446.db2.gz JAEBBGNMWQOASK-LJQANCHMSA-N 1 1 354.454 2.110 50 0 FEAAMO COc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c(OC)n1 ZINC000299766929 206639006 /nfs/dbraw/zinc/63/90/06/206639006.db2.gz DRKOZFSCROOFNJ-UHFFFAOYSA-N 1 1 370.453 2.491 50 0 FEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000004711037 207040150 /nfs/dbraw/zinc/04/01/50/207040150.db2.gz XIXZWXSUBKYBAY-AZUAARDMSA-N 1 1 371.525 2.316 50 0 FEAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2F)N1)OCCCO4 ZINC000009835480 207286374 /nfs/dbraw/zinc/28/63/74/207286374.db2.gz ZUXCJQURDFDGJN-MRXNPFEDSA-N 1 1 353.357 2.433 50 0 FEAAMO CN1CCC[C@](O)(C[N@H+](C)Cc2csc(-c3cccs3)n2)C1=O ZINC000011714895 207319684 /nfs/dbraw/zinc/31/96/84/207319684.db2.gz BWVDQAIKXJBGOF-INIZCTEOSA-N 1 1 351.497 2.287 50 0 FEAAMO CN1CCC[C@](O)(C[N@@H+](C)Cc2csc(-c3cccs3)n2)C1=O ZINC000011714895 207319690 /nfs/dbraw/zinc/31/96/90/207319690.db2.gz BWVDQAIKXJBGOF-INIZCTEOSA-N 1 1 351.497 2.287 50 0 FEAAMO O=C(CCN1CCCCC1=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011770927 207322284 /nfs/dbraw/zinc/32/22/84/207322284.db2.gz KKVLPGLRYCYANM-LJQANCHMSA-N 1 1 357.498 2.212 50 0 FEAAMO COc1ccc(CCN2C[C@H]([NH2+]Cc3nc(C)c(C)nc3C)CC2=O)cc1 ZINC000011771909 207322424 /nfs/dbraw/zinc/32/24/24/207322424.db2.gz OEXXICHRXLYCNO-GOSISDBHSA-N 1 1 368.481 2.344 50 0 FEAAMO Cc1n[nH]c(C)c1C[N@H+](C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000011952091 207332362 /nfs/dbraw/zinc/33/23/62/207332362.db2.gz RNLDSOCTIVGPOB-FQEVSTJZSA-N 1 1 362.518 2.392 50 0 FEAAMO CC(=O)NCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011841266 207324959 /nfs/dbraw/zinc/32/49/59/207324959.db2.gz ZJIINDKFLZCPCO-HXUWFJFHSA-N 1 1 359.514 2.492 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C)c[nH]2)CC1 ZINC000012306055 207357853 /nfs/dbraw/zinc/35/78/53/207357853.db2.gz FLNIVYIXCGGADA-SFHVURJKSA-N 1 1 361.534 2.311 50 0 FEAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000012307763 207359136 /nfs/dbraw/zinc/35/91/36/207359136.db2.gz UANGYNOAUUDFFL-SFHVURJKSA-N 1 1 359.495 2.409 50 0 FEAAMO Cc1ccn2cc(CNC(=O)[C@@H]3CCC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000012444643 207378353 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50 0 FEAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](Cc3ccccc3)N(C)C)CC2)C[C@H](C)O1 ZINC000077287990 542362297 /nfs/dbraw/zinc/36/22/97/542362297.db2.gz DWPOGNHTYATIGS-UEXGIBASSA-N 1 1 373.541 2.260 50 0 FEAAMO Cc1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000032936763 208059918 /nfs/dbraw/zinc/05/99/18/208059918.db2.gz YESNNDOBWUEFND-UHFFFAOYSA-N 1 1 362.474 2.063 50 0 FEAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 208117033 /nfs/dbraw/zinc/11/70/33/208117033.db2.gz YQJSNAJIQYBABK-PMACEKPBSA-N 1 1 359.514 2.078 50 0 FEAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000034925615 208117037 /nfs/dbraw/zinc/11/70/37/208117037.db2.gz YQJSNAJIQYBABK-PMACEKPBSA-N 1 1 359.514 2.078 50 0 FEAAMO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000036616166 208165223 /nfs/dbraw/zinc/16/52/23/208165223.db2.gz XBMRLBGQIULMKX-CQSZACIVSA-N 1 1 365.437 2.457 50 0 FEAAMO O=C(CCNC(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036110275 208147718 /nfs/dbraw/zinc/14/77/18/208147718.db2.gz FRWYMOGFMFEIKK-UHFFFAOYSA-N 1 1 369.440 2.290 50 0 FEAAMO CSc1ncc(CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)cn1 ZINC000039445665 208211685 /nfs/dbraw/zinc/21/16/85/208211685.db2.gz DGXCLQACCLKNIU-MRXNPFEDSA-N 1 1 364.540 2.329 50 0 FEAAMO CSc1ncc(CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)cn1 ZINC000039445665 208211690 /nfs/dbraw/zinc/21/16/90/208211690.db2.gz DGXCLQACCLKNIU-MRXNPFEDSA-N 1 1 364.540 2.329 50 0 FEAAMO Cc1c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C ZINC000040087730 208223778 /nfs/dbraw/zinc/22/37/78/208223778.db2.gz ZFFYGRZJMZFBPZ-GASCZTMLSA-N 1 1 356.470 2.268 50 0 FEAAMO C[NH+](C)[C@@H](C(=O)N1CCC(C(=O)N2CCCC2)CC1)c1cccc(F)c1 ZINC000077321418 542366713 /nfs/dbraw/zinc/36/67/13/542366713.db2.gz NTTDUYCMDRFGLC-GOSISDBHSA-N 1 1 361.461 2.289 50 0 FEAAMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C(=O)c1ccccc1 ZINC000044681008 208318544 /nfs/dbraw/zinc/31/85/44/208318544.db2.gz PZVZXLKDRPFYAD-IBGZPJMESA-N 1 1 351.450 2.274 50 0 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Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000092081539 209016794 /nfs/dbraw/zinc/01/67/94/209016794.db2.gz ZMDFIZPADNSFOM-PKOBYXMFSA-N 1 1 367.497 2.477 50 0 FEAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCCN(c2ncccn2)CC1 ZINC000095355593 209024419 /nfs/dbraw/zinc/02/44/19/209024419.db2.gz LEXSUCUGSFYIEU-KRWDZBQOSA-N 1 1 369.469 2.021 50 0 FEAAMO O=C(c1cccc2nccnc21)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095356959 209026818 /nfs/dbraw/zinc/02/68/18/209026818.db2.gz TWAREWWKPUATCA-DOTOQJQBSA-N 1 1 366.465 2.345 50 0 FEAAMO O=C(CCCc1cn[nH]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095363210 209028743 /nfs/dbraw/zinc/02/87/43/209028743.db2.gz YPFKZUVRKLHQGE-PKOBYXMFSA-N 1 1 353.470 2.250 50 0 FEAAMO CCn1ncc(Cl)c1C(=O)N[C@H]1C[N@@H+](CCCOC)C[C@@H]1C1CC1 ZINC000092062404 209015498 /nfs/dbraw/zinc/01/54/98/209015498.db2.gz MODDGNPJALZTEV-HIFRSBDPSA-N 1 1 354.882 2.033 50 0 FEAAMO CCN1CC[C@]2(CN(C(=O)N(C)c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000095387021 209044279 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Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000194442122 548482789 /nfs/dbraw/zinc/48/27/89/548482789.db2.gz IMZADKMODBUKTB-RBUKOAKNSA-N 1 1 367.497 2.441 50 0 FEAAMO CCn1ccc2c1cccc2CN1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000215805708 548675128 /nfs/dbraw/zinc/67/51/28/548675128.db2.gz QPGLIECROJZYST-UHFFFAOYSA-N 1 1 354.498 2.448 50 0 FEAAMO Cc1ccc(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)s1 ZINC000220503377 548700718 /nfs/dbraw/zinc/70/07/18/548700718.db2.gz CKLOWBRHQIOWFB-SFHVURJKSA-N 1 1 357.483 2.474 50 0 FEAAMO Cc1ccc(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)s1 ZINC000220503377 548700722 /nfs/dbraw/zinc/70/07/22/548700722.db2.gz CKLOWBRHQIOWFB-SFHVURJKSA-N 1 1 357.483 2.474 50 0 FEAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](C(=O)c4ccccn4)C3)nc12 ZINC000244574936 548890386 /nfs/dbraw/zinc/89/03/86/548890386.db2.gz CTXCUNHGIVOZCU-INIZCTEOSA-N 1 1 362.433 2.493 50 0 FEAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H](C(=O)c4ccccn4)C3)nc12 ZINC000244574936 548890393 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CC[C@H](O)Cn1nc(-c2ccc(F)cc2)nc1CCC[NH+]1CCOCC1 ZINC000584899729 571316054 /nfs/dbraw/zinc/31/60/54/571316054.db2.gz DXHWSEWTEOMIBY-KRWDZBQOSA-N 1 1 362.449 2.120 50 0 FEAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)c(OC)c3)C2)C1=O ZINC000012465442 670002446 /nfs/dbraw/zinc/00/24/46/670002446.db2.gz LQEPKTIEVGPGJK-IBGZPJMESA-N 1 1 350.434 2.295 50 0 FEAAMO Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000952975699 681793602 /nfs/dbraw/zinc/79/36/02/681793602.db2.gz LPABSWXQHVTMJC-SFHVURJKSA-N 1 1 362.499 2.143 50 0 FEAAMO Cc1ccc(S(=O)(=O)N2CC([N@H+](C)CC[C@@H]3CCCCO3)C2)cc1 ZINC000952980236 681794381 /nfs/dbraw/zinc/79/43/81/681794381.db2.gz GDWIWKBQLYFUTO-KRWDZBQOSA-N 1 1 352.500 2.259 50 0 FEAAMO Cc1ccc(S(=O)(=O)N2CC([N@@H+](C)CC[C@@H]3CCCCO3)C2)cc1 ZINC000952980236 681794382 /nfs/dbraw/zinc/79/43/82/681794382.db2.gz GDWIWKBQLYFUTO-KRWDZBQOSA-N 1 1 352.500 2.259 50 0 FEAAMO C[NH+](C)CCNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC000002970316 539357761 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COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000052782016 540488990 /nfs/dbraw/zinc/48/89/90/540488990.db2.gz XROZCPBDABCJPS-CQSZACIVSA-N 1 1 368.480 2.116 50 0 FEAAMO CCn1nc(C)c(CN(CCOC)C(=O)C[N@@H+](C)C2CCCC2)c1C ZINC000055099683 540628728 /nfs/dbraw/zinc/62/87/28/540628728.db2.gz IYDLYMBGKIBWPQ-UHFFFAOYSA-N 1 1 350.507 2.369 50 0 FEAAMO O=C(COc1ccccc1)N1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055211543 540635675 /nfs/dbraw/zinc/63/56/75/540635675.db2.gz PUHCTTPHLBGVRM-PZJWPPBQSA-N 1 1 371.525 2.474 50 0 FEAAMO COc1ccc(N[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000056167157 540709330 /nfs/dbraw/zinc/70/93/30/540709330.db2.gz IRKJRHQIWUVLPN-MRXNPFEDSA-N 1 1 354.454 2.235 50 0 FEAAMO O=S(=O)(c1cccc(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058209359 540833425 /nfs/dbraw/zinc/83/34/25/540833425.db2.gz RHELXFDRJCZCTP-HNNXBMFYSA-N 1 1 358.891 2.215 50 0 FEAAMO O=S(=O)(c1cccc(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058209359 540833428 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2.205 50 0 FEAAMO COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000072273951 541796848 /nfs/dbraw/zinc/79/68/48/541796848.db2.gz UOBXRACRMQOXBJ-ZDUSSCGKSA-N 1 1 354.834 2.252 50 0 FEAAMO Cc1ncc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cn1 ZINC000072420406 541808980 /nfs/dbraw/zinc/80/89/80/541808980.db2.gz ARYXTPJNPWXAIN-SFHVURJKSA-N 1 1 369.517 2.279 50 0 FEAAMO CN1C[C@@]2(CCCN(Cc3ccccc3OCCC[NH+](C)C)C2)OC1=O ZINC000072479598 541821505 /nfs/dbraw/zinc/82/15/05/541821505.db2.gz ALYRXZKRTFOVED-HXUWFJFHSA-N 1 1 361.486 2.434 50 0 FEAAMO CN1CCC([N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588747 220010827 /nfs/dbraw/zinc/01/08/27/220010827.db2.gz GXZLMJMMRBOIQL-LJQANCHMSA-N 1 1 353.470 2.369 50 0 FEAAMO CN1CCC([N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588747 220010829 /nfs/dbraw/zinc/01/08/29/220010829.db2.gz GXZLMJMMRBOIQL-LJQANCHMSA-N 1 1 353.470 2.369 50 0 FEAAMO CCC(=O)Nc1ccc(F)c(NC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000096141731 209122442 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FEAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C)nc3)cc2)CC1 ZINC000040115248 208230073 /nfs/dbraw/zinc/23/00/73/208230073.db2.gz AHAUTXRKNYEPMB-UHFFFAOYSA-N 1 1 352.482 2.458 50 0 FEAAMO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000042392734 208290267 /nfs/dbraw/zinc/29/02/67/208290267.db2.gz UJDOSTDOCAAGFC-YJBOKZPZSA-N 1 1 350.434 2.306 50 0 FEAAMO COc1cccc(COCC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046776768 208368361 /nfs/dbraw/zinc/36/83/61/208368361.db2.gz ANESXSGOMLZRGR-HZPDHXFCSA-N 1 1 364.486 2.216 50 0 FEAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)C1 ZINC000047617811 208382046 /nfs/dbraw/zinc/38/20/46/208382046.db2.gz WDPCAHZRSFPJLK-GOSISDBHSA-N 1 1 374.529 2.050 50 0 FEAAMO c1ccc(-c2ncc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)cn2)nc1 ZINC000077522581 542392025 /nfs/dbraw/zinc/39/20/25/542392025.db2.gz OVTXPXZNXZVDMH-SFHVURJKSA-N 1 1 353.470 2.225 50 0 FEAAMO O=c1cc(CN2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)[nH]c2c(F)cccc12 ZINC000077452724 542384029 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FEAAMO CCn1ccnc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2CC)CC1 ZINC000091964811 209007504 /nfs/dbraw/zinc/00/75/04/209007504.db2.gz VIGQLIDTBJOWSK-UHFFFAOYSA-N 1 1 368.489 2.139 50 0 FEAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)ccc1Cl ZINC000092077771 209016286 /nfs/dbraw/zinc/01/62/86/209016286.db2.gz FNIJHIAGADNFHU-GOEBONIOSA-N 1 1 363.889 2.273 50 0 FEAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)ccc1Cl ZINC000092077771 209016289 /nfs/dbraw/zinc/01/62/89/209016289.db2.gz FNIJHIAGADNFHU-GOEBONIOSA-N 1 1 363.889 2.273 50 0 FEAAMO Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cs1 ZINC000092078180 209016058 /nfs/dbraw/zinc/01/60/58/209016058.db2.gz ITCAIVSUGZRWOF-WMLDXEAASA-N 1 1 371.510 2.176 50 0 FEAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000095369811 209032304 /nfs/dbraw/zinc/03/23/04/209032304.db2.gz MYKARXIMRDNRLW-CQSZACIVSA-N 1 1 353.470 2.028 50 0 FEAAMO O=C(CCN1CCCC1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095371737 209034576 /nfs/dbraw/zinc/03/45/76/209034576.db2.gz CWQSRQJBKZDNMH-RBUKOAKNSA-N 1 1 355.482 2.122 50 0 FEAAMO CN1CC[N@@H+](CCCCOc2ccccc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000095379069 209039105 /nfs/dbraw/zinc/03/91/05/209039105.db2.gz ZKMKQVJPGGYOST-NRFANRHFSA-N 1 1 359.514 2.474 50 0 FEAAMO CN1CC[C@]2(CN(CCCCOc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000095379069 209039110 /nfs/dbraw/zinc/03/91/10/209039110.db2.gz ZKMKQVJPGGYOST-NRFANRHFSA-N 1 1 359.514 2.474 50 0 FEAAMO CN1CC[C@]2(CN(CCCCOc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000095379069 209039114 /nfs/dbraw/zinc/03/91/14/209039114.db2.gz ZKMKQVJPGGYOST-NRFANRHFSA-N 1 1 359.514 2.474 50 0 FEAAMO Cc1cccc2[nH]c(C3CCN(C(=O)C[N@H+]4CCC[C@H](O)C4)CC3)nc21 ZINC000095379478 209040634 /nfs/dbraw/zinc/04/06/34/209040634.db2.gz RTHJCTOOWJMENK-INIZCTEOSA-N 1 1 356.470 2.034 50 0 FEAAMO Cc1cccc2nc(C3CCN(C(=O)C[N@@H+]4CCC[C@H](O)C4)CC3)[nH]c21 ZINC000095379478 209040643 /nfs/dbraw/zinc/04/06/43/209040643.db2.gz RTHJCTOOWJMENK-INIZCTEOSA-N 1 1 356.470 2.034 50 0 FEAAMO Cc1cccc2nc(C3CCN(C(=O)C[N@H+]4CCC[C@H](O)C4)CC3)[nH]c21 ZINC000095379478 209040645 /nfs/dbraw/zinc/04/06/45/209040645.db2.gz RTHJCTOOWJMENK-INIZCTEOSA-N 1 1 356.470 2.034 50 0 FEAAMO CCN(C)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095381259 209041020 /nfs/dbraw/zinc/04/10/20/209041020.db2.gz WJQKTSNBEPUFJI-CEWLAPEOSA-N 1 1 357.498 2.036 50 0 FEAAMO Cn1ccnc1C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)CC1 ZINC000095496926 209060215 /nfs/dbraw/zinc/06/02/15/209060215.db2.gz YIZTZUVJXKHZGR-KRWDZBQOSA-N 1 1 360.502 2.017 50 0 FEAAMO CC(=O)c1c(C)nn(CCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1C ZINC000095500399 209061104 /nfs/dbraw/zinc/06/11/04/209061104.db2.gz KWMINHYVWGMYLO-RTBURBONSA-N 1 1 372.513 2.425 50 0 FEAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2cnc[nH]2)C1 ZINC000095498821 209062280 /nfs/dbraw/zinc/06/22/80/209062280.db2.gz ZNJYTBKOADTAMS-KRWDZBQOSA-N 1 1 370.497 2.374 50 0 FEAAMO CNS(=O)(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1C ZINC000095944198 209088030 /nfs/dbraw/zinc/08/80/30/209088030.db2.gz UJTFQXIRWMVASX-MJBXVCDLSA-N 1 1 353.488 2.103 50 0 FEAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc3c[nH]nc3c2)[NH+](C)C)c1 ZINC000079017773 542494685 /nfs/dbraw/zinc/49/46/85/542494685.db2.gz FUOWBOGDMREQLX-GOSISDBHSA-N 1 1 374.466 2.153 50 0 FEAAMO OC[C@H]1CCCC[N@H+]1CCNc1ncnc2c1Cc1ccccc1OC2 ZINC000095517150 209071226 /nfs/dbraw/zinc/07/12/26/209071226.db2.gz AWTQCGSXARNJIL-MRXNPFEDSA-N 1 1 354.454 2.219 50 0 FEAAMO Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)nc(N2CCCC2)n1 ZINC000095520595 209072229 /nfs/dbraw/zinc/07/22/29/209072229.db2.gz ICVZTKPOTRBYSK-IBGZPJMESA-N 1 1 367.497 2.068 50 0 FEAAMO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)nc(N2CCCC2)n1 ZINC000095520595 209072233 /nfs/dbraw/zinc/07/22/33/209072233.db2.gz ICVZTKPOTRBYSK-IBGZPJMESA-N 1 1 367.497 2.068 50 0 FEAAMO CSCCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082127645 542685734 /nfs/dbraw/zinc/68/57/34/542685734.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 1 1 350.532 2.410 50 0 FEAAMO CSCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082127645 542685739 /nfs/dbraw/zinc/68/57/39/542685739.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 1 1 350.532 2.410 50 0 FEAAMO CSCCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082127645 542685742 /nfs/dbraw/zinc/68/57/42/542685742.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 1 1 350.532 2.410 50 0 FEAAMO Cn1c2ccccc2cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1=O ZINC000085879933 542732990 /nfs/dbraw/zinc/73/29/90/542732990.db2.gz NBKGNXIGMLQADX-WBVHZDCISA-N 1 1 361.445 2.320 50 0 FEAAMO Cc1cc(Cn2ccnc2-c2cnc(N3CCOCC3)nc2)cc(C)[nH+]1 ZINC000077337939 132181175 /nfs/dbraw/zinc/18/11/75/132181175.db2.gz KZUJYSLLHSWEPE-UHFFFAOYSA-N 1 1 350.426 2.237 50 0 FEAAMO CN1CC2(CCN(c3cc(N)[nH+]cn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091997247 132205360 /nfs/dbraw/zinc/20/53/60/132205360.db2.gz PWIFOVPWVMWTSM-INIZCTEOSA-N 1 1 351.454 2.291 50 0 FEAAMO NC(=O)c1ccnc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095356662 132207433 /nfs/dbraw/zinc/20/74/33/132207433.db2.gz NQVKWIDZXSBTIK-AWEZNQCLSA-N 1 1 368.466 2.266 50 0 FEAAMO CCCc1nc(C)cc(N2CCC([N@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)n1 ZINC000095499223 132212154 /nfs/dbraw/zinc/21/21/54/132212154.db2.gz UBBIOSHWFVZQSB-HXUWFJFHSA-N 1 1 373.501 2.233 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncnc4oc(C)c(C)c43)C2)CC1 ZINC000032960026 132928854 /nfs/dbraw/zinc/92/88/54/132928854.db2.gz RCLKOSZARBILPV-INIZCTEOSA-N 1 1 371.485 2.220 50 0 FEAAMO O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091364831 542805686 /nfs/dbraw/zinc/80/56/86/542805686.db2.gz LCEKKFQQCYNDRA-QFBILLFUSA-N 1 1 355.482 2.002 50 0 FEAAMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)cc(=O)c2c1 ZINC000091574220 542813046 /nfs/dbraw/zinc/81/30/46/542813046.db2.gz ZULGYPJZPLFTHQ-KRWDZBQOSA-N 1 1 355.482 2.381 50 0 FEAAMO CCN1CC[C@]2(CN(Cc3cncn3CC(C)C)CC[N@H+]2C)CCC1=O ZINC000091587457 542814407 /nfs/dbraw/zinc/81/44/07/542814407.db2.gz WLTZLZAVFQQELK-FQEVSTJZSA-N 1 1 361.534 2.058 50 0 FEAAMO COCCCN1CCC[C@]2(CC[N@@H+](Cc3c(C)nc4ccccn43)C2)C1=O ZINC000091664437 542818743 /nfs/dbraw/zinc/81/87/43/542818743.db2.gz OWNWXFISIBRKCR-OAQYLSRUSA-N 1 1 370.497 2.494 50 0 FEAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091782400 542826159 /nfs/dbraw/zinc/82/61/59/542826159.db2.gz WYVBUEARFXNTMR-UHFFFAOYSA-N 1 1 355.442 2.178 50 0 FEAAMO Cc1ccc(-c2ncc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)c(=O)[nH]2)cc1 ZINC000091807373 542826456 /nfs/dbraw/zinc/82/64/56/542826456.db2.gz RDOQAISUPBPECS-OAHLLOKOSA-N 1 1 366.465 2.444 50 0 FEAAMO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](CCn2cccc2)CC1 ZINC000091770446 542825467 /nfs/dbraw/zinc/82/54/67/542825467.db2.gz BRSLTZLPMTZSMF-UHFFFAOYSA-N 1 1 367.428 2.475 50 0 FEAAMO OCC[NH+]1CCN(c2nc3ccccc3c(NC3CCCCC3)n2)CC1 ZINC000041152862 136120840 /nfs/dbraw/zinc/12/08/40/136120840.db2.gz BOOGIQUCRMOVJV-UHFFFAOYSA-N 1 1 355.486 2.489 50 0 FEAAMO C[C@@H](Nc1nc(N2CCC(O)CC2)cc[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000065468775 136136629 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CCN1CC[NH+](CCCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000041442667 540021947 /nfs/dbraw/zinc/02/19/47/540021947.db2.gz BBRBNIOLTKXWHJ-UHFFFAOYSA-N 1 1 372.282 2.346 50 0 FEAAMO COc1cccc(COCC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046776763 540270304 /nfs/dbraw/zinc/27/03/04/540270304.db2.gz ANESXSGOMLZRGR-HOTGVXAUSA-N 1 1 364.486 2.216 50 0 FEAAMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000048354796 540358545 /nfs/dbraw/zinc/35/85/45/540358545.db2.gz RSQRKKOKTDOEFQ-CYBMUJFWSA-N 1 1 351.447 2.135 50 0 FEAAMO Cc1nc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)cs1 ZINC000055200397 540635254 /nfs/dbraw/zinc/63/52/54/540635254.db2.gz UZHHRKPBERBQKT-LJQANCHMSA-N 1 1 359.495 2.403 50 0 FEAAMO COc1ccc2c(c1)c(C(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1)c(C)n2C ZINC000057050870 540765452 /nfs/dbraw/zinc/76/54/52/540765452.db2.gz QBJFQRTZGIFJQE-CYBMUJFWSA-N 1 1 357.454 2.264 50 0 FEAAMO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000058161007 540830252 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FEAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000072158378 541791713 /nfs/dbraw/zinc/79/17/13/541791713.db2.gz DIFLCNIAWKGQLO-NRFANRHFSA-N 1 1 372.513 2.477 50 0 FEAAMO COCc1c(C)onc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072162791 541792288 /nfs/dbraw/zinc/79/22/88/541792288.db2.gz MTMIZOKNTYIPJK-SFHVURJKSA-N 1 1 369.465 2.445 50 0 FEAAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)N3CCC4(CC3)OCCO4)CC2)c1 ZINC000064818021 212045692 /nfs/dbraw/zinc/04/56/92/212045692.db2.gz QPPJDPWDLUCADE-UHFFFAOYSA-N 1 1 356.466 2.493 50 0 FEAAMO CC(C)(C)c1cc(C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)[nH]n1 ZINC000072173802 541795787 /nfs/dbraw/zinc/79/57/87/541795787.db2.gz KWAMMVCKDRUVSX-UHFFFAOYSA-N 1 1 365.485 2.343 50 0 FEAAMO CC(C)(C)c1cc(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)[nH]n1 ZINC000072173802 541795793 /nfs/dbraw/zinc/79/57/93/541795793.db2.gz KWAMMVCKDRUVSX-UHFFFAOYSA-N 1 1 365.485 2.343 50 0 FEAAMO O=C(CNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000063857077 212034628 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Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072462597 541816922 /nfs/dbraw/zinc/81/69/22/541816922.db2.gz GHBKWTBOOYQDRT-INIZCTEOSA-N 1 1 361.534 2.284 50 0 FEAAMO CCN1C[C@@]2(CCC[N@@H+](CC(=O)NCc3ccccc3C)C2)CCC1=O ZINC000072453704 541815743 /nfs/dbraw/zinc/81/57/43/541815743.db2.gz ZHVUPVRJMXKMTE-NRFANRHFSA-N 1 1 357.498 2.336 50 0 FEAAMO CCc1cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)on1 ZINC000072477346 541820445 /nfs/dbraw/zinc/82/04/45/541820445.db2.gz ZFBQQZJVPSYXFG-HNNXBMFYSA-N 1 1 358.490 2.341 50 0 FEAAMO CC(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000058325328 212004857 /nfs/dbraw/zinc/00/48/57/212004857.db2.gz OHWAMAVNTMJNLD-SFHVURJKSA-N 1 1 361.461 2.119 50 0 FEAAMO CC(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000058325328 212004860 /nfs/dbraw/zinc/00/48/60/212004860.db2.gz OHWAMAVNTMJNLD-SFHVURJKSA-N 1 1 361.461 2.119 50 0 FEAAMO CC(C)[N@@H+](C)CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000058304598 212003387 /nfs/dbraw/zinc/00/33/87/212003387.db2.gz XGBMPEULAVEVFZ-UHFFFAOYSA-N 1 1 356.264 2.234 50 0 FEAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCCn1c(=O)oc2ccccc21 ZINC000047938435 211859166 /nfs/dbraw/zinc/85/91/66/211859166.db2.gz SFMAUESEMXDBJE-AWEZNQCLSA-N 1 1 356.426 2.332 50 0 FEAAMO C[NH+]1CCN(C(C)(C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000073155437 541926109 /nfs/dbraw/zinc/92/61/09/541926109.db2.gz WNYJVIKXKNBQIN-UHFFFAOYSA-N 1 1 364.921 2.015 50 0 FEAAMO CN1CC[NH+](C(C)(C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000073155437 541926112 /nfs/dbraw/zinc/92/61/12/541926112.db2.gz WNYJVIKXKNBQIN-UHFFFAOYSA-N 1 1 364.921 2.015 50 0 FEAAMO COc1ccccc1NC(=O)C1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000029903565 211518420 /nfs/dbraw/zinc/51/84/20/211518420.db2.gz QJKIANMZBOEYCI-UHFFFAOYSA-N 1 1 371.437 2.255 50 0 FEAAMO CN1CCC([N@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000023340390 211384276 /nfs/dbraw/zinc/38/42/76/211384276.db2.gz BIBTYNDEPPOZBA-ZWKOTPCHSA-N 1 1 363.889 2.482 50 0 FEAAMO C[NH+]1CCC(N2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000023340390 211384281 /nfs/dbraw/zinc/38/42/81/211384281.db2.gz BIBTYNDEPPOZBA-ZWKOTPCHSA-N 1 1 363.889 2.482 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 ZINC000022693932 211359835 /nfs/dbraw/zinc/35/98/35/211359835.db2.gz AKWGCNBYTOBCGP-CQSZACIVSA-N 1 1 365.499 2.183 50 0 FEAAMO COc1cccc(-c2noc3ncnc(NCCC[NH+]4CCOCC4)c32)c1 ZINC000021714906 211320715 /nfs/dbraw/zinc/32/07/15/211320715.db2.gz HDBKKQYAFSCRDJ-UHFFFAOYSA-N 1 1 369.425 2.428 50 0 FEAAMO COc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1OC ZINC000021055934 211305274 /nfs/dbraw/zinc/30/52/74/211305274.db2.gz ZMKIZSPQMKEIBS-ZIAGYGMSSA-N 1 1 350.459 2.321 50 0 FEAAMO O=C(CCn1cccc1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000021016633 211303871 /nfs/dbraw/zinc/30/38/71/211303871.db2.gz MGJJVGNEHODPGI-UHFFFAOYSA-N 1 1 354.498 2.202 50 0 FEAAMO COc1cc(C[NH+]2CCC(N3CCOCC3)CC2)cc(OC)c1OC ZINC000019889178 211259378 /nfs/dbraw/zinc/25/93/78/211259378.db2.gz KPJAVWMEGKVMFL-UHFFFAOYSA-N 1 1 350.459 2.009 50 0 FEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000019530273 211229082 /nfs/dbraw/zinc/22/90/82/211229082.db2.gz KEEIFDHKAAPMCU-QGZVFWFLSA-N 1 1 361.417 2.483 50 0 FEAAMO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c1OCO2 ZINC000016672171 211166148 /nfs/dbraw/zinc/16/61/48/211166148.db2.gz AEIQMEFSTCRETL-CABCVRRESA-N 1 1 354.406 2.205 50 0 FEAAMO O=C(Cn1c(C[NH+]2CCCCCC2)nc2ccccc21)N1CCOCC1 ZINC000015922136 211150366 /nfs/dbraw/zinc/15/03/66/211150366.db2.gz XZWFLDLQGXUPFF-UHFFFAOYSA-N 1 1 356.470 2.271 50 0 FEAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1 ZINC000015065388 211117933 /nfs/dbraw/zinc/11/79/33/211117933.db2.gz OWUHAVCKSHAZHQ-NRFANRHFSA-N 1 1 364.489 2.292 50 0 FEAAMO CC(C)C[N@@H+](C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014749514 211100036 /nfs/dbraw/zinc/10/00/36/211100036.db2.gz HHASFBLBNIFCMV-INIZCTEOSA-N 1 1 355.486 2.190 50 0 FEAAMO C=C1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014051880 211069149 /nfs/dbraw/zinc/06/91/49/211069149.db2.gz VTOHVLVYPTVFIP-UHFFFAOYSA-N 1 1 361.445 2.458 50 0 FEAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000013625218 211044706 /nfs/dbraw/zinc/04/47/06/211044706.db2.gz GWTWKJGMTNILML-RDBSUJKOSA-N 1 1 371.359 2.313 50 0 FEAAMO CCC(CC)[C@H](CNC(=O)[C@@H]1COc2ccccc2C1)[NH+]1CCOCC1 ZINC000012937247 211010511 /nfs/dbraw/zinc/01/05/11/211010511.db2.gz ILBOMHRGHXZFIR-OALUTQOASA-N 1 1 360.498 2.491 50 0 FEAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000012588951 210974792 /nfs/dbraw/zinc/97/47/92/210974792.db2.gz XXOZPUGJNVRETR-KRWDZBQOSA-N 1 1 355.482 2.282 50 0 FEAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@@H](C)O1 ZINC000019912342 220304946 /nfs/dbraw/zinc/30/49/46/220304946.db2.gz XUFNUSDPUIGUQX-RBSFLKMASA-N 1 1 373.449 2.131 50 0 FEAAMO Cc1c[nH+]ccc1N1CCCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000077353434 542371400 /nfs/dbraw/zinc/37/14/00/542371400.db2.gz HBBVGHTXMOIZBZ-UHFFFAOYSA-N 1 1 352.486 2.493 50 0 FEAAMO COCCN1C[C@@]2(CCC[N@H+](Cc3cc(C(C)=O)cn3C)C2)CCC1=O ZINC000077423782 542380718 /nfs/dbraw/zinc/38/07/18/542380718.db2.gz NZLKEWZLFSOSON-FQEVSTJZSA-N 1 1 361.486 2.079 50 0 FEAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cc(C(C)=O)cn3C)C2)CCC1=O ZINC000077423782 542380719 /nfs/dbraw/zinc/38/07/19/542380719.db2.gz NZLKEWZLFSOSON-FQEVSTJZSA-N 1 1 361.486 2.079 50 0 FEAAMO COc1ccc(C(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000065362246 221202761 /nfs/dbraw/zinc/20/27/61/221202761.db2.gz VXTHXUOKEVKRSZ-UHFFFAOYSA-N 1 1 355.442 2.236 50 0 FEAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Cc3cccnc3)C2)cc1 ZINC000065491868 221225899 /nfs/dbraw/zinc/22/58/99/221225899.db2.gz FOGJHJRPKURXHH-KRWDZBQOSA-N 1 1 366.465 2.464 50 0 FEAAMO OC1CCN(c2cc[nH+]c(N3CCC[C@@H](OCc4ccccn4)C3)n2)CC1 ZINC000065497755 221226998 /nfs/dbraw/zinc/22/69/98/221226998.db2.gz KAOKUOLFVCKCHQ-GOSISDBHSA-N 1 1 369.469 2.018 50 0 FEAAMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000079092486 542499063 /nfs/dbraw/zinc/49/90/63/542499063.db2.gz DIZLVJXQBSTYGE-CMPLNLGQSA-N 1 1 372.874 2.030 50 0 FEAAMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000079092486 542499068 /nfs/dbraw/zinc/49/90/68/542499068.db2.gz DIZLVJXQBSTYGE-CMPLNLGQSA-N 1 1 372.874 2.030 50 0 FEAAMO Cc1ccc(C)c(NC(=O)CCNc2nc(N3CC[C@H](O)C3)cc[nH+]2)c1 ZINC000065529577 221230805 /nfs/dbraw/zinc/23/08/05/221230805.db2.gz NYHBGWFXCMMMOF-HNNXBMFYSA-N 1 1 355.442 2.105 50 0 FEAAMO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1OC)N[C@]2(CO)c1ccccc1 ZINC000065527906 221230815 /nfs/dbraw/zinc/23/08/15/221230815.db2.gz AULXTWNSSAPONY-RCLSDMTESA-N 1 1 353.466 2.190 50 0 FEAAMO Cc1nc(NCCNC(=O)c2ccc(F)cc2Cl)cc(N(C)C)[nH+]1 ZINC000067613679 221262306 /nfs/dbraw/zinc/26/23/06/221262306.db2.gz MSEFVDVOMGWHSX-UHFFFAOYSA-N 1 1 351.813 2.485 50 0 FEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]1 ZINC000067604871 221262895 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CCc1cc(N2CCC([NH2+]C[C@H]3CCCN3CC)CC2)nc(N(C)C)n1 ZINC000095507642 132212811 /nfs/dbraw/zinc/21/28/11/132212811.db2.gz LCASMALYLIPERK-GOSISDBHSA-N 1 1 360.550 2.148 50 0 FEAAMO NC(=O)Cn1cc[nH+]c1[C@@H]1CCCN(c2nccc(C3CCCC3)n2)C1 ZINC000095530976 132215332 /nfs/dbraw/zinc/21/53/32/132215332.db2.gz AGFSPFMNPODGTM-OAHLLOKOSA-N 1 1 354.458 2.200 50 0 FEAAMO CC(C)Nc1ccnc(N2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)n1 ZINC000107008600 132240407 /nfs/dbraw/zinc/24/04/07/132240407.db2.gz IOCKFNJGKPRMIM-INIZCTEOSA-N 1 1 361.515 2.432 50 0 FEAAMO CC(C)Nc1ccnc(N2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)n1 ZINC000107008600 132240410 /nfs/dbraw/zinc/24/04/10/132240410.db2.gz IOCKFNJGKPRMIM-INIZCTEOSA-N 1 1 361.515 2.432 50 0 FEAAMO Cc1cc2nc(C(C)C)cc(N3CC[N@@H+](CC4CC4)[C@@H](CCO)C3)n2n1 ZINC000106951667 132240746 /nfs/dbraw/zinc/24/07/46/132240746.db2.gz IHAOLZFWGKQXNT-KRWDZBQOSA-N 1 1 357.502 2.444 50 0 FEAAMO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089573859 542764691 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Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@]4(C(=O)[O-])C3)c2)n1 ZINC000091931234 542833558 /nfs/dbraw/zinc/83/35/58/542833558.db2.gz HPGBFKUJCZAGMU-RXVVDRJESA-N 1 1 368.481 2.327 50 0 FEAAMO Cc1ccc([C@H](C(=O)NCCn2ncc3ccccc3c2=O)[NH+](C)C)cc1 ZINC000091966079 542834550 /nfs/dbraw/zinc/83/45/50/542834550.db2.gz DQYCOFFDKCTEPX-LJQANCHMSA-N 1 1 364.449 2.124 50 0 FEAAMO Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000092096780 542845086 /nfs/dbraw/zinc/84/50/86/542845086.db2.gz QQBVERBSSMKAGF-QFBILLFUSA-N 1 1 364.493 2.432 50 0 FEAAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000095367488 542961512 /nfs/dbraw/zinc/96/15/12/542961512.db2.gz IEFBTECKKISUNS-MRXNPFEDSA-N 1 1 352.442 2.145 50 0 FEAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000071754820 136140345 /nfs/dbraw/zinc/14/03/45/136140345.db2.gz PYUUEQRYMLUEJB-UHFFFAOYSA-N 1 1 358.421 2.344 50 0 FEAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(c2ncnc3ccsc32)C[C@H]1O ZINC000071774538 136141033 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Cc1ccccc1CSc1nc(N)cc(N2CCC[C@](O)(CO)CC2)[nH+]1 ZINC000095361871 542960270 /nfs/dbraw/zinc/96/02/70/542960270.db2.gz ZKERBEKSBYOOAL-LJQANCHMSA-N 1 1 374.510 2.373 50 0 FEAAMO O=C(NCCc1cn2ccsc2n1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095380904 542965387 /nfs/dbraw/zinc/96/53/87/542965387.db2.gz OPZMUEIKMDFYMJ-INIZCTEOSA-N 1 1 355.467 2.287 50 0 FEAAMO CSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 ZINC000095380934 542965573 /nfs/dbraw/zinc/96/55/73/542965573.db2.gz IIKZZCMFBNHPHX-GDBMZVCRSA-N 1 1 369.556 2.111 50 0 FEAAMO CCOCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095382709 542965608 /nfs/dbraw/zinc/96/56/08/542965608.db2.gz KEEFLQZTLZXTAN-GDIGMMSISA-N 1 1 350.409 2.390 50 0 FEAAMO CCCCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000095386005 542965960 /nfs/dbraw/zinc/96/59/60/542965960.db2.gz XTQZKVZGPCPZAO-GOSISDBHSA-N 1 1 361.534 2.027 50 0 FEAAMO COc1ccc2c(c1)CC[N@H+](Cc1cc(=O)n3cccc(O)c3n1)CC2 ZINC000095391698 542968521 /nfs/dbraw/zinc/96/85/21/542968521.db2.gz HVHCYRXIQADAKQ-UHFFFAOYSA-N 1 1 351.406 2.010 50 0 FEAAMO C[NH+](C)[C@H](C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1cccc(F)c1 ZINC000095388771 542966970 /nfs/dbraw/zinc/96/69/70/542966970.db2.gz NFMFOCAAUYFCMX-FQEVSTJZSA-N 1 1 371.456 2.478 50 0 FEAAMO C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@@H+]1C1CCN(C)CC1 ZINC000095456058 542970851 /nfs/dbraw/zinc/97/08/51/542970851.db2.gz YJKPMKMWIVSZFD-AWEZNQCLSA-N 1 1 361.515 2.398 50 0 FEAAMO C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@H+]1C1CCN(C)CC1 ZINC000095456058 542970854 /nfs/dbraw/zinc/97/08/54/542970854.db2.gz YJKPMKMWIVSZFD-AWEZNQCLSA-N 1 1 361.515 2.398 50 0 FEAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000095499242 542974583 /nfs/dbraw/zinc/97/45/83/542974583.db2.gz HYFXTXDAIPORHF-UHFFFAOYSA-N 1 1 372.444 2.324 50 0 FEAAMO Cc1cnn(CCC[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)c1 ZINC000095512382 542977821 /nfs/dbraw/zinc/97/78/21/542977821.db2.gz XGUMAZSWLNLEEX-ZWKOTPCHSA-N 1 1 371.485 2.309 50 0 FEAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(CC)c1C)CC2 ZINC000095513370 542978210 /nfs/dbraw/zinc/97/82/10/542978210.db2.gz TYEQKJDBXPAKMB-UHFFFAOYSA-N 1 1 370.501 2.334 50 0 FEAAMO CCOC(=O)N1CCC([N@@H+]2C[C@@H](c3ccc(C)o3)[C@H](NC(C)=O)C2)CC1 ZINC000095518614 542978967 /nfs/dbraw/zinc/97/89/67/542978967.db2.gz ZUXVZPDFRSEBQP-IAGOWNOFSA-N 1 1 363.458 2.113 50 0 FEAAMO COc1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000109049877 543312353 /nfs/dbraw/zinc/31/23/53/543312353.db2.gz AEKZBCWOHWSMAP-HLLBOEOZSA-N 1 1 362.470 2.418 50 0 FEAAMO COc1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000109049877 543312357 /nfs/dbraw/zinc/31/23/57/543312357.db2.gz AEKZBCWOHWSMAP-HLLBOEOZSA-N 1 1 362.470 2.418 50 0 FEAAMO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1=O ZINC000123216823 543749279 /nfs/dbraw/zinc/74/92/79/543749279.db2.gz WXPQIWMBNOXEAG-UHFFFAOYSA-N 1 1 361.392 2.058 50 0 FEAAMO C[NH+](C)[C@H](C(=O)N1CCCN(C(=O)c2ccoc2)CC1)c1ccc(F)cc1 ZINC000095368849 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COc1ccc(CC(=O)N2CCC(C[N@H+]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000085468241 523890667 /nfs/dbraw/zinc/89/06/67/523890667.db2.gz VJEPSRVILGCWHH-QGZVFWFLSA-N 1 1 359.514 2.112 50 0 FEAAMO CN1CCN(C[C@@H]2C[N@H+](Cc3cccc(-c4ccco4)c3)C[C@@H]2CO)CC1 ZINC000091625771 523906754 /nfs/dbraw/zinc/90/67/54/523906754.db2.gz STFQSQVAWSZTBU-NHCUHLMSSA-N 1 1 369.509 2.234 50 0 FEAAMO CN1CCN(C[C@@H]2C[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@@H]2CO)CC1 ZINC000091625771 523906756 /nfs/dbraw/zinc/90/67/56/523906756.db2.gz STFQSQVAWSZTBU-NHCUHLMSSA-N 1 1 369.509 2.234 50 0 FEAAMO COc1coc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc1=O ZINC000091663911 524943533 /nfs/dbraw/zinc/94/35/33/524943533.db2.gz JFGLEOQNARZFLB-HXUWFJFHSA-N 1 1 360.454 2.263 50 0 FEAAMO Cc1ccccc1OC1CN(C(=O)[C@H]2CCC[N@H+]2C2CCN(C)CC2)C1 ZINC000082147992 525277257 /nfs/dbraw/zinc/27/72/57/525277257.db2.gz YKOQETPVZNLDJA-LJQANCHMSA-N 1 1 357.498 2.143 50 0 FEAAMO Cc1ccccc1OC1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCN(C)CC2)C1 ZINC000082147992 525277263 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CCCCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)C(C)C ZINC000072166930 541793820 /nfs/dbraw/zinc/79/38/20/541793820.db2.gz SVAAQGSJEIAWBB-HXUWFJFHSA-N 1 1 371.525 2.381 50 0 FEAAMO COc1cccc(SCC(=O)N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072169175 541794789 /nfs/dbraw/zinc/79/47/89/541794789.db2.gz UPHORYIDMBQJER-MRXNPFEDSA-N 1 1 364.511 2.235 50 0 FEAAMO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CCC[N@@H+](C)CC1 ZINC000072169428 541795128 /nfs/dbraw/zinc/79/51/28/541795128.db2.gz BCWPMKLBGAOIJS-UHFFFAOYSA-N 1 1 350.470 2.290 50 0 FEAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000072309888 541798955 /nfs/dbraw/zinc/79/89/55/541798955.db2.gz QXPNKHQYBVDZCK-INIZCTEOSA-N 1 1 367.515 2.427 50 0 FEAAMO C[C@@H]1CN(CCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799098 /nfs/dbraw/zinc/79/90/98/541799098.db2.gz CFVLQHHLWALZAP-FGTMMUONSA-N 1 1 351.535 2.257 50 0 FEAAMO C[C@@H]1CN(CCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000072312741 541799100 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C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C13C[C@H]4C[C@@H](C1)CC(n1cncn1)(C4)C3)C2 ZINC000067724616 221276561 /nfs/dbraw/zinc/27/65/61/221276561.db2.gz YSWUWAKREZLYMN-VBBMSDFBSA-N 1 1 369.513 2.269 50 0 FEAAMO O=C(c1ccc(-c2ccncc2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067696568 221273951 /nfs/dbraw/zinc/27/39/51/221273951.db2.gz OMLRFEKANGAIGA-UHFFFAOYSA-N 1 1 352.438 2.080 50 0 FEAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067743791 221280872 /nfs/dbraw/zinc/28/08/72/221280872.db2.gz VFCTVIZCAUPSQY-LBPRGKRZSA-N 1 1 361.829 2.120 50 0 FEAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000067743791 221280874 /nfs/dbraw/zinc/28/08/74/221280874.db2.gz VFCTVIZCAUPSQY-LBPRGKRZSA-N 1 1 361.829 2.120 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1 ZINC000067756846 221281333 /nfs/dbraw/zinc/28/13/33/221281333.db2.gz QVCYSPSRZQPTLZ-HNNXBMFYSA-N 1 1 372.473 2.414 50 0 FEAAMO Cc1c[nH]c(C[NH+]2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)n1 ZINC000067909220 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ZINC000097642078 222201710 /nfs/dbraw/zinc/20/17/10/222201710.db2.gz OTDCBZNAQUDCHX-OAHLLOKOSA-N 1 1 353.426 2.342 50 0 FEAAMO Cc1ccc2[nH]c(COCC(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000097785438 222213169 /nfs/dbraw/zinc/21/31/69/222213169.db2.gz PSHMVLZBVZPHBP-HNNXBMFYSA-N 1 1 356.470 2.473 50 0 FEAAMO Cc1ccc2nc(COCC(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)[nH]c2c1 ZINC000097785438 222213172 /nfs/dbraw/zinc/21/31/72/222213172.db2.gz PSHMVLZBVZPHBP-HNNXBMFYSA-N 1 1 356.470 2.473 50 0 FEAAMO Cc1ccc2nc(COCC(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)[nH]c2c1 ZINC000097785438 222213174 /nfs/dbraw/zinc/21/31/74/222213174.db2.gz PSHMVLZBVZPHBP-HNNXBMFYSA-N 1 1 356.470 2.473 50 0 FEAAMO CNC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(-c4nc5ccccc5n4C)o3)C[C@@H]21 ZINC000102449108 222297072 /nfs/dbraw/zinc/29/70/72/222297072.db2.gz KQBDTPQXJHFORT-UOIKSKOESA-N 1 1 350.422 2.257 50 0 FEAAMO COCCN1CC[C@@]2(C[N@@H+](Cc3cc(C)ccc3C)CCN2C)CCC1=O ZINC000107406507 222394458 /nfs/dbraw/zinc/39/44/58/222394458.db2.gz QPQQIAGORMEFBY-JOCHJYFZSA-N 1 1 373.541 2.449 50 0 FEAAMO COCCN1CC[C@@]2(CN(Cc3cc(C)ccc3C)CC[N@@H+]2C)CCC1=O ZINC000107406507 222394462 /nfs/dbraw/zinc/39/44/62/222394462.db2.gz QPQQIAGORMEFBY-JOCHJYFZSA-N 1 1 373.541 2.449 50 0 FEAAMO COCCN1CC[C@@]2(CN(Cc3cc(C)ccc3C)CC[N@H+]2C)CCC1=O ZINC000107406507 222394465 /nfs/dbraw/zinc/39/44/65/222394465.db2.gz QPQQIAGORMEFBY-JOCHJYFZSA-N 1 1 373.541 2.449 50 0 FEAAMO CN(Cc1cccc2cnccc21)C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000426484943 263601042 /nfs/dbraw/zinc/60/10/42/263601042.db2.gz YFOUQXBDOUZWPX-SFHVURJKSA-N 1 1 356.470 2.223 50 0 FEAAMO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000119199919 326136619 /nfs/dbraw/zinc/13/66/19/326136619.db2.gz ZHZMBMZPVXPMSH-UHFFFAOYSA-N 1 1 370.478 2.460 50 0 FEAAMO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000119199919 326136623 /nfs/dbraw/zinc/13/66/23/326136623.db2.gz ZHZMBMZPVXPMSH-UHFFFAOYSA-N 1 1 370.478 2.460 50 0 FEAAMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 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FEAAMO CCOC(=O)c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000048314499 721952939 /nfs/dbraw/zinc/95/29/39/721952939.db2.gz OMLMQXDFCVRIAN-UHFFFAOYSA-N 1 1 355.438 2.459 50 0 FEAAMO CC[N@H+]1CCC[C@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000095961965 210235033 /nfs/dbraw/zinc/23/50/33/210235033.db2.gz BGJPXUSHUPAAMJ-CQSZACIVSA-N 1 1 352.442 2.253 50 0 FEAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCCC1 ZINC000002106979 539344554 /nfs/dbraw/zinc/34/45/54/539344554.db2.gz CMNXEVSAEYDUEZ-UHFFFAOYSA-N 1 1 361.398 2.006 50 0 biogenic FEAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000229625601 210177843 /nfs/dbraw/zinc/17/78/43/210177843.db2.gz GBWJUBACLCACNA-DZGCQCFKSA-N 1 1 372.498 2.052 50 0 FEAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000221142035 210174632 /nfs/dbraw/zinc/17/46/32/210174632.db2.gz MDCPELGVTHOLPK-GOSISDBHSA-N 1 1 371.456 2.380 50 0 FEAAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000008492711 539487394 /nfs/dbraw/zinc/48/73/94/539487394.db2.gz ISFIDVYFINZOTR-GFCCVEGCSA-N 1 1 354.410 2.324 50 0 FEAAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000008492711 539487401 /nfs/dbraw/zinc/48/74/01/539487401.db2.gz ISFIDVYFINZOTR-GFCCVEGCSA-N 1 1 354.410 2.324 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000009314726 539500344 /nfs/dbraw/zinc/50/03/44/539500344.db2.gz INWAEGGDSCZBTM-AWEZNQCLSA-N 1 1 370.449 2.261 50 0 FEAAMO C[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1N1CCOCC1 ZINC000009367831 539502306 /nfs/dbraw/zinc/50/23/06/539502306.db2.gz RFDFMYMHBBZWNH-UHFFFAOYSA-N 1 1 371.456 2.411 50 0 FEAAMO C[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1N1CCOCC1 ZINC000009367831 539502309 /nfs/dbraw/zinc/50/23/09/539502309.db2.gz RFDFMYMHBBZWNH-UHFFFAOYSA-N 1 1 371.456 2.411 50 0 FEAAMO CCOc1ccccc1NC(=O)CCc1c(C)nc2nc(C[NH3+])nn2c1C ZINC000009407434 539502383 /nfs/dbraw/zinc/50/23/83/539502383.db2.gz ZIOJTUPGNACOMX-UHFFFAOYSA-N 1 1 368.441 2.170 50 0 FEAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1ccccc1F)[NH+]1CCCC1 ZINC000011846860 539537861 /nfs/dbraw/zinc/53/78/61/539537861.db2.gz PLZWCAWNGVFUDH-MRXNPFEDSA-N 1 1 351.447 2.280 50 0 FEAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000011934747 539539868 /nfs/dbraw/zinc/53/98/68/539539868.db2.gz BBDGZHWEBHYDKW-OAHLLOKOSA-N 1 1 364.515 2.050 50 0 FEAAMO CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000011934747 539539870 /nfs/dbraw/zinc/53/98/70/539539870.db2.gz BBDGZHWEBHYDKW-OAHLLOKOSA-N 1 1 364.515 2.050 50 0 FEAAMO CC(C)[C@H]1C[N@@H+](C)CCN1c1nc2nonc2nc1NCc1cccs1 ZINC000011997764 539540970 /nfs/dbraw/zinc/54/09/70/539540970.db2.gz JQDRIKIIYSPBGK-CYBMUJFWSA-N 1 1 373.486 2.463 50 0 FEAAMO O=C(CCc1ccco1)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012197255 539549624 /nfs/dbraw/zinc/54/96/24/539549624.db2.gz BSGPSFMZIQNTCE-MRXNPFEDSA-N 1 1 373.497 2.194 50 0 FEAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)cc1 ZINC000012317553 539554390 /nfs/dbraw/zinc/55/43/90/539554390.db2.gz KTLQWJURWAQHIU-INIZCTEOSA-N 1 1 352.438 2.198 50 0 FEAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)N1CCOCC1 ZINC000012459763 539561121 /nfs/dbraw/zinc/56/11/21/539561121.db2.gz YWHIFEPKFBZDAP-HNNXBMFYSA-N 1 1 358.442 2.074 50 0 FEAAMO C[C@@H]1Cc2cc(C(=O)NCC3(N4CC[NH+](C)CC4)CCCC3)ccc2O1 ZINC000299798061 210038114 /nfs/dbraw/zinc/03/81/14/210038114.db2.gz UHCDVISHVOZDFP-MRXNPFEDSA-N 1 1 357.498 2.300 50 0 FEAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+](C)Cc3cccnc3)C2=O)c1 ZINC000012448964 539561341 /nfs/dbraw/zinc/56/13/41/539561341.db2.gz SJHWSUSXZGTZNV-OAQYLSRUSA-N 1 1 353.466 2.376 50 0 FEAAMO CCCc1nc(C)cc(N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)n1 ZINC000299788972 210031660 /nfs/dbraw/zinc/03/16/60/210031660.db2.gz XSIWLBKXLMGRAV-IAGOWNOFSA-N 1 1 359.474 2.390 50 0 FEAAMO CCCc1nc(C)cc(N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)n1 ZINC000299788972 210031665 /nfs/dbraw/zinc/03/16/65/210031665.db2.gz XSIWLBKXLMGRAV-IAGOWNOFSA-N 1 1 359.474 2.390 50 0 FEAAMO Cn1c(C[NH+]2CCC(C(=O)NCc3ccccn3)CC2)nc2ccccc21 ZINC000299790174 210031113 /nfs/dbraw/zinc/03/11/13/210031113.db2.gz ASEXYLPQPDSWNO-UHFFFAOYSA-N 1 1 363.465 2.497 50 0 FEAAMO COc1cc(CN2CCSCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012580716 539566500 /nfs/dbraw/zinc/56/65/00/539566500.db2.gz OXJNNKVSKKVVDN-QGZVFWFLSA-N 1 1 368.543 2.324 50 0 FEAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)COCC(F)(F)C(F)F ZINC000299772998 210019501 /nfs/dbraw/zinc/01/95/01/210019501.db2.gz BOHXQMWJQONLBT-AWEZNQCLSA-N 1 1 362.367 2.419 50 0 FEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@H](C)O1 ZINC000012819691 539575974 /nfs/dbraw/zinc/57/59/74/539575974.db2.gz SJFJUIMNCMAHLM-TXEJJXNPSA-N 1 1 370.291 2.462 50 0 FEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@H](C)O1 ZINC000012819691 539575978 /nfs/dbraw/zinc/57/59/78/539575978.db2.gz SJFJUIMNCMAHLM-TXEJJXNPSA-N 1 1 370.291 2.462 50 0 FEAAMO CC1(C)C[C@@H](C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)CCO1 ZINC000299764328 210012681 /nfs/dbraw/zinc/01/26/81/210012681.db2.gz RQDDLLAEIQHDNS-HNNXBMFYSA-N 1 1 356.474 2.306 50 0 FEAAMO Cc1ccc(OCCOCC[NH+]2CCN(C)CC2)c(Br)c1 ZINC000019792531 539668906 /nfs/dbraw/zinc/66/89/06/539668906.db2.gz VAUXLXHZXZBNNL-UHFFFAOYSA-N 1 1 357.292 2.400 50 0 FEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000032873755 539956965 /nfs/dbraw/zinc/95/69/65/539956965.db2.gz PAUJLJPNNUGWFP-MSOLQXFVSA-N 1 1 367.449 2.275 50 0 FEAAMO COC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065334 539976191 /nfs/dbraw/zinc/97/61/91/539976191.db2.gz OAYFOSOJKZRNMP-ACJLOTCBSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065334 539976194 /nfs/dbraw/zinc/97/61/94/539976194.db2.gz OAYFOSOJKZRNMP-ACJLOTCBSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065334 539976197 /nfs/dbraw/zinc/97/61/97/539976197.db2.gz OAYFOSOJKZRNMP-ACJLOTCBSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065334 539976200 /nfs/dbraw/zinc/97/62/00/539976200.db2.gz OAYFOSOJKZRNMP-ACJLOTCBSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065335 539976374 /nfs/dbraw/zinc/97/63/74/539976374.db2.gz OAYFOSOJKZRNMP-UGSOOPFHSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065335 539976376 /nfs/dbraw/zinc/97/63/76/539976376.db2.gz OAYFOSOJKZRNMP-UGSOOPFHSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065335 539976378 /nfs/dbraw/zinc/97/63/78/539976378.db2.gz OAYFOSOJKZRNMP-UGSOOPFHSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034065335 539976379 /nfs/dbraw/zinc/97/63/79/539976379.db2.gz OAYFOSOJKZRNMP-UGSOOPFHSA-N 1 1 373.453 2.351 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505091 539982514 /nfs/dbraw/zinc/98/25/14/539982514.db2.gz HHUKLWQAZUZPAX-AWEZNQCLSA-N 1 1 359.499 2.072 50 0 FEAAMO Cc1[nH]nc2ncc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc12 ZINC000040118667 540006924 /nfs/dbraw/zinc/00/69/24/540006924.db2.gz ZLTIAPNTOMJRCO-UHFFFAOYSA-N 1 1 365.437 2.029 50 0 FEAAMO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)NCCc1ccc(F)cc1 ZINC000040120138 540006948 /nfs/dbraw/zinc/00/69/48/540006948.db2.gz PSLVHAWVYREAAV-OALUTQOASA-N 1 1 364.461 2.144 50 0 FEAAMO NC(=O)c1cnc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000040149445 540007858 /nfs/dbraw/zinc/00/78/58/540007858.db2.gz YETCTSCZFIGJPD-UHFFFAOYSA-N 1 1 360.845 2.278 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 ZINC000040159634 540008734 /nfs/dbraw/zinc/00/87/34/540008734.db2.gz YYWHOFVTGVAWMO-ROUUACIJSA-N 1 1 369.465 2.090 50 0 FEAAMO NC(=O)C[NH+]1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000042752324 540077056 /nfs/dbraw/zinc/07/70/56/540077056.db2.gz VATCWRQQEQGMCI-UHFFFAOYSA-N 1 1 363.889 2.218 50 0 FEAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)nc2ccccc21 ZINC000249683472 222965549 /nfs/dbraw/zinc/96/55/49/222965549.db2.gz CULLEXIHVXOBOC-MRXNPFEDSA-N 1 1 356.470 2.127 50 0 FEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1cccc(F)c1 ZINC000046171625 540245994 /nfs/dbraw/zinc/24/59/94/540245994.db2.gz VJDYYOCQJODWGI-QGZVFWFLSA-N 1 1 364.442 2.342 50 0 FEAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000054449111 540590647 /nfs/dbraw/zinc/59/06/47/540590647.db2.gz AMBXBQOKAPEZOE-RBUKOAKNSA-N 1 1 359.470 2.347 50 0 FEAAMO CCc1cccc(NC(=O)CCC(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000055100418 540628804 /nfs/dbraw/zinc/62/88/04/540628804.db2.gz DCSIGUDAORNGOW-INIZCTEOSA-N 1 1 361.486 2.195 50 0 FEAAMO Cc1nc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cs1 ZINC000055211447 540635836 /nfs/dbraw/zinc/63/58/36/540635836.db2.gz LKXDFLZVMHUDMI-SFHVURJKSA-N 1 1 363.458 2.234 50 0 FEAAMO O=C(NC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1)C1CC1 ZINC000057170805 540774994 /nfs/dbraw/zinc/77/49/94/540774994.db2.gz VJBDLSSZWMDXNV-LJQANCHMSA-N 1 1 355.482 2.168 50 0 FEAAMO O=C(NC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000057170809 540775020 /nfs/dbraw/zinc/77/50/20/540775020.db2.gz FWRNPHJEHYLERB-LJQANCHMSA-N 1 1 369.509 2.416 50 0 FEAAMO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000057281461 540785290 /nfs/dbraw/zinc/78/52/90/540785290.db2.gz KIWZOMWVEJZUMN-UXHICEINSA-N 1 1 374.481 2.181 50 0 FEAAMO CC[NH+]1CCN(C(=S)NC(=O)c2cccc(Br)c2)CC1 ZINC000057683659 540807996 /nfs/dbraw/zinc/80/79/96/540807996.db2.gz MVWRFKCTIHDVHJ-UHFFFAOYSA-N 1 1 356.289 2.101 50 0 FEAAMO COc1ccc([C@@H]([NH2+]CC(=O)N2CCNC2=O)c2ccc(F)cc2)cc1 ZINC000058215373 540833985 /nfs/dbraw/zinc/83/39/85/540833985.db2.gz BNMCGSHFKSBOOT-SFHVURJKSA-N 1 1 357.385 2.065 50 0 FEAAMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)c(C)c1 ZINC000012522560 220001953 /nfs/dbraw/zinc/00/19/53/220001953.db2.gz CZMFAPKRLVHOTC-SNVBAGLBSA-N 1 1 360.443 2.087 50 0 FEAAMO CCOc1ccc(-c2ccc(C[N@@H+]3CCN[C@H](C(=O)NC4CC4)C3)o2)cc1 ZINC000072125404 541784324 /nfs/dbraw/zinc/78/43/24/541784324.db2.gz QBARMDRHSPVMSC-IBGZPJMESA-N 1 1 369.465 2.398 50 0 FEAAMO CCOc1ccc(-c2ccc(C[N@H+]3CCN[C@H](C(=O)NC4CC4)C3)o2)cc1 ZINC000072125404 541784328 /nfs/dbraw/zinc/78/43/28/541784328.db2.gz QBARMDRHSPVMSC-IBGZPJMESA-N 1 1 369.465 2.398 50 0 FEAAMO NC(=O)CN1c2ccccc2[C@@]2(CC[N@@H+](C/C=C/c3ccccc3)C2)C1=O ZINC000072134587 541786122 /nfs/dbraw/zinc/78/61/22/541786122.db2.gz ZKSTZINGBQWNRN-OUZREKFBSA-N 1 1 361.445 2.175 50 0 FEAAMO C[C@H](CO)NC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072141648 541787054 /nfs/dbraw/zinc/78/70/54/541787054.db2.gz CDPVAEXBJLXFPX-QGZVFWFLSA-N 1 1 352.478 2.196 50 0 FEAAMO CCOCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072148359 541788829 /nfs/dbraw/zinc/78/88/29/541788829.db2.gz SJZJJMZXYPLVQY-BHIYHBOVSA-N 1 1 350.409 2.390 50 0 FEAAMO CCN(Cc1c(F)cccc1Cl)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000072151507 541789504 /nfs/dbraw/zinc/78/95/04/541789504.db2.gz NRFQXGXRYVFGJI-INIZCTEOSA-N 1 1 369.868 2.427 50 0 FEAAMO CCN(Cc1c(F)cccc1Cl)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000072151507 541789508 /nfs/dbraw/zinc/78/95/08/541789508.db2.gz NRFQXGXRYVFGJI-INIZCTEOSA-N 1 1 369.868 2.427 50 0 FEAAMO CN(C(=O)C(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072153947 541790394 /nfs/dbraw/zinc/79/03/94/541790394.db2.gz ZZNDROGQHFRMLX-LJQANCHMSA-N 1 1 369.509 2.135 50 0 FEAAMO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(CC)sc2n1 ZINC000072155865 541791014 /nfs/dbraw/zinc/79/10/14/541791014.db2.gz WBTLAMYRNPUEEK-CYBMUJFWSA-N 1 1 364.471 2.021 50 0 FEAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(CC)sc2n1 ZINC000072155865 541791015 /nfs/dbraw/zinc/79/10/15/541791015.db2.gz WBTLAMYRNPUEEK-CYBMUJFWSA-N 1 1 364.471 2.021 50 0 FEAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(c2ccccn2)C1 ZINC000072163249 541793462 /nfs/dbraw/zinc/79/34/62/541793462.db2.gz XSWGTOLUYYUIPT-IBGZPJMESA-N 1 1 351.450 2.299 50 0 FEAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(c2ccccn2)C1 ZINC000072163249 541793464 /nfs/dbraw/zinc/79/34/64/541793464.db2.gz XSWGTOLUYYUIPT-IBGZPJMESA-N 1 1 351.450 2.299 50 0 FEAAMO CC(=O)NC[C@@]1(O)CCC[N@@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC000072166669 541794199 /nfs/dbraw/zinc/79/41/99/541794199.db2.gz NMVBRKZMPMXJLJ-OAQYLSRUSA-N 1 1 370.497 2.342 50 0 FEAAMO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@@H+]1Cc1cccc(F)c1 ZINC000064084433 212037379 /nfs/dbraw/zinc/03/73/79/212037379.db2.gz FWAQMIZJSXOCME-CVEARBPZSA-N 1 1 362.474 2.383 50 0 FEAAMO CN(C)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)C[N@H+]1Cc1cccc(F)c1 ZINC000064084433 212037380 /nfs/dbraw/zinc/03/73/80/212037380.db2.gz FWAQMIZJSXOCME-CVEARBPZSA-N 1 1 362.474 2.383 50 0 FEAAMO COCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000072273952 541796875 /nfs/dbraw/zinc/79/68/75/541796875.db2.gz UOBXRACRMQOXBJ-CYBMUJFWSA-N 1 1 354.834 2.252 50 0 FEAAMO c1cncc(CCNc2ncnc3c2CC[N@H+](C2CCOCC2)CC3)c1 ZINC000072407878 541805977 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CN1CCC([N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000022913726 211368450 /nfs/dbraw/zinc/36/84/50/211368450.db2.gz UYTDCWKNNKZCGN-INIZCTEOSA-N 1 1 369.912 2.442 50 0 FEAAMO COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000020450486 211279779 /nfs/dbraw/zinc/27/97/79/211279779.db2.gz CMQXKPNVNSRHRX-CQSZACIVSA-N 1 1 362.499 2.490 50 0 FEAAMO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1cccc2ccccc21 ZINC000018077663 211190015 /nfs/dbraw/zinc/19/00/15/211190015.db2.gz XCUMVQUEQGAIDN-GOSISDBHSA-N 1 1 366.417 2.311 50 0 FEAAMO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)CCO)C2 ZINC000014743416 211101243 /nfs/dbraw/zinc/10/12/43/211101243.db2.gz PJQDOIOATROQMY-MRXNPFEDSA-N 1 1 362.518 2.091 50 0 FEAAMO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014747046 211100486 /nfs/dbraw/zinc/10/04/86/211100486.db2.gz ODTLVGTZPACFPK-NHCUHLMSSA-N 1 1 371.525 2.079 50 0 FEAAMO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000014141567 211079284 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221204401 /nfs/dbraw/zinc/20/44/01/221204401.db2.gz ASYBUDKYDNVNON-ZDUSSCGKSA-N 1 1 372.425 2.018 50 0 FEAAMO COc1cc(NC(=O)C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)cc(OC)c1 ZINC000065408366 221214418 /nfs/dbraw/zinc/21/44/18/221214418.db2.gz QJKWWZIVQOOUGT-INIZCTEOSA-N 1 1 358.442 2.403 50 0 FEAAMO COc1cc(NC(=O)C[N@H+]2CC[C@H](n3nc(C)cc3C)C2)cc(OC)c1 ZINC000065408366 221214419 /nfs/dbraw/zinc/21/44/19/221214419.db2.gz QJKWWZIVQOOUGT-INIZCTEOSA-N 1 1 358.442 2.403 50 0 FEAAMO COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1=O ZINC000078870221 542484818 /nfs/dbraw/zinc/48/48/18/542484818.db2.gz XBFAKQQJPJMLER-ZACQAIPSSA-N 1 1 373.497 2.298 50 0 FEAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](Cc3cccnc3)C2)cc1 ZINC000065491871 221225693 /nfs/dbraw/zinc/22/56/93/221225693.db2.gz FOGJHJRPKURXHH-QGZVFWFLSA-N 1 1 366.465 2.464 50 0 FEAAMO COCc1cc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067643694 221265423 /nfs/dbraw/zinc/26/54/23/221265423.db2.gz IBMKMTJTHSSTLY-UHFFFAOYSA-N 1 1 350.426 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Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(-n2cnnn2)c1C ZINC000170613495 546165859 /nfs/dbraw/zinc/16/58/59/546165859.db2.gz UEDDFTISKWITJA-AEFFLSMTSA-N 1 1 368.485 2.273 50 0 FEAAMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[C@@H]1c1ccccc1 ZINC000180115469 547054596 /nfs/dbraw/zinc/05/45/96/547054596.db2.gz GBXJTYPIMXXRRX-XQLPTFJDSA-N 1 1 369.387 2.005 50 0 FEAAMO CSc1nc(N2CCCn3nc([C@H](O)C4CCC4)cc3C2)cc(N)[nH+]1 ZINC000219057750 548691248 /nfs/dbraw/zinc/69/12/48/548691248.db2.gz WDSASHZLWXQRKB-MRXNPFEDSA-N 1 1 360.487 2.221 50 0 FEAAMO CSc1nc(N)cc(N2CCCn3nc([C@H](O)C4CCC4)cc3C2)[nH+]1 ZINC000219057750 548691251 /nfs/dbraw/zinc/69/12/51/548691251.db2.gz WDSASHZLWXQRKB-MRXNPFEDSA-N 1 1 360.487 2.221 50 0 FEAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2cc(C)ccc2NC1=O ZINC000227129336 548750509 /nfs/dbraw/zinc/75/05/09/548750509.db2.gz VCHIEKONPXTXBN-DFVSYVKXSA-N 1 1 367.449 2.020 50 0 FEAAMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 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C[NH+]1CCN(C(=O)c2cccc(NC(=O)N3CCC(F)(F)CC3)c2)CC1 ZINC000299797684 553615958 /nfs/dbraw/zinc/61/59/58/553615958.db2.gz PBRUTTDSXSZAHS-UHFFFAOYSA-N 1 1 366.412 2.337 50 0 FEAAMO COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1=O ZINC000332859489 554531999 /nfs/dbraw/zinc/53/19/99/554531999.db2.gz AVULQLCBFNAUGW-RDJZCZTQSA-N 1 1 371.481 2.123 50 0 FEAAMO Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)nc(C)[nH+]1 ZINC000375040371 557968420 /nfs/dbraw/zinc/96/84/20/557968420.db2.gz UYAVKUUVSCXGNP-ZWKOTPCHSA-N 1 1 368.485 2.058 50 0 FEAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426504626 559736119 /nfs/dbraw/zinc/73/61/19/559736119.db2.gz QUMOZHOKXUFESZ-SFHVURJKSA-N 1 1 358.442 2.059 50 0 FEAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000426530351 559736924 /nfs/dbraw/zinc/73/69/24/559736924.db2.gz CFXJZJMSUPKASJ-MRXNPFEDSA-N 1 1 359.470 2.135 50 0 FEAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1nnc2nc(C)ccn21 ZINC000426571548 559738173 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C[N@@H+]1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000048263244 570939088 /nfs/dbraw/zinc/93/90/88/570939088.db2.gz HLKRIWOXJSSEOV-GOSISDBHSA-N 1 1 358.486 2.134 50 0 FEAAMO C[N@H+]1CCN(C(=O)CNC(=O)NC2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000048263244 570939096 /nfs/dbraw/zinc/93/90/96/570939096.db2.gz HLKRIWOXJSSEOV-GOSISDBHSA-N 1 1 358.486 2.134 50 0 FEAAMO Cc1csc2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC(C)C)C3)cc(=O)n12 ZINC000048287260 570940683 /nfs/dbraw/zinc/94/06/83/570940683.db2.gz XHBSSPZTFFEPLY-CQSZACIVSA-N 1 1 362.499 2.049 50 0 FEAAMO C[NH+]1CCC(c2ncc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)[nH]2)CC1 ZINC000685941772 571102063 /nfs/dbraw/zinc/10/20/63/571102063.db2.gz IHMPDYXXZQEAEQ-SJORKVTESA-N 1 1 358.486 2.393 50 0 FEAAMO CCOc1c(CN(C)c2cc([C@@H]3CCOC3)[nH+]c(N)n2)cccc1OC ZINC000426431729 571135758 /nfs/dbraw/zinc/13/57/58/571135758.db2.gz FGZIAXKYYDPZRK-CQSZACIVSA-N 1 1 358.442 2.606 50 0 FEAAMO c1nc2ncnc(NCc3cc4n(n3)CC[N@H+](C3CCCCC3)C4)c2[nH]1 ZINC000091754979 571195057 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O[C@H](COC[C@@H]1COc2ccccc2O1)C[N@H+]1CCc2ccccc2C1 ZINC000004144504 539377867 /nfs/dbraw/zinc/37/78/67/539377867.db2.gz HQPGNKIUOKFOLY-RBUKOAKNSA-N 1 1 355.434 2.262 50 0 FEAAMO CC(C)(C)c1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc(C(C)(C)C)c1O ZINC000004338273 539382697 /nfs/dbraw/zinc/38/26/97/539382697.db2.gz IYIYTHBFRQYSPT-CVEARBPZSA-N 1 1 369.527 2.235 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067595 539401153 /nfs/dbraw/zinc/40/11/53/539401153.db2.gz MSJRYDSABXPAOZ-INIZCTEOSA-N 1 1 371.481 2.298 50 0 FEAAMO Cc1ccc(C[N@H+](C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000006995813 539443676 /nfs/dbraw/zinc/44/36/76/539443676.db2.gz WXJLCVZQOKPZSH-UHFFFAOYSA-N 1 1 361.392 2.460 50 0 FEAAMO Cc1ccc(C[N@@H+](C)CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000006995813 539443681 /nfs/dbraw/zinc/44/36/81/539443681.db2.gz WXJLCVZQOKPZSH-UHFFFAOYSA-N 1 1 361.392 2.460 50 0 FEAAMO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007995613 539473751 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371.456 2.398 50 0 FEAAMO NC(=O)COc1cccc(CN2CCC[N@H+](Cc3ccccc3F)CC2)c1 ZINC000072153436 541790838 /nfs/dbraw/zinc/79/08/38/541790838.db2.gz IBUIDMPLTHYHKD-UHFFFAOYSA-N 1 1 371.456 2.398 50 0 FEAAMO NC(=O)COc1cccc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)c1 ZINC000072153436 541790840 /nfs/dbraw/zinc/79/08/40/541790840.db2.gz IBUIDMPLTHYHKD-UHFFFAOYSA-N 1 1 371.456 2.398 50 0 FEAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072304795 541798227 /nfs/dbraw/zinc/79/82/27/541798227.db2.gz SWYWGWPXRHJSOV-AWEZNQCLSA-N 1 1 353.488 2.286 50 0 FEAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000072309889 541799059 /nfs/dbraw/zinc/79/90/59/541799059.db2.gz QXPNKHQYBVDZCK-MRXNPFEDSA-N 1 1 367.515 2.427 50 0 FEAAMO NC(=O)[C@H]1CCC[N@@H+](CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072406973 541805719 /nfs/dbraw/zinc/80/57/19/541805719.db2.gz GUWBGHCUMCREMH-INIZCTEOSA-N 1 1 364.453 2.006 50 0 FEAAMO CC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)[C@@H]1Cc3ccccc3S1)C2 ZINC000072412335 541808210 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O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2nccs2)CC1 ZINC000054635975 211930766 /nfs/dbraw/zinc/93/07/66/211930766.db2.gz ALFFUJFUTKFUNS-AWEZNQCLSA-N 1 1 353.875 2.358 50 0 FEAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000075572748 542189869 /nfs/dbraw/zinc/18/98/69/542189869.db2.gz KMKOWCKQADDMKP-AWEZNQCLSA-N 1 1 355.429 2.291 50 0 FEAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1 ZINC000023642986 211394082 /nfs/dbraw/zinc/39/40/82/211394082.db2.gz ANKJQXQGNUXTSC-UHFFFAOYSA-N 1 1 369.465 2.477 50 0 FEAAMO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023675135 211392651 /nfs/dbraw/zinc/39/26/51/211392651.db2.gz ORYYRWZIJOFLQW-UHFFFAOYSA-N 1 1 365.477 2.112 50 0 FEAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000022912718 211368092 /nfs/dbraw/zinc/36/80/92/211368092.db2.gz YAXFOKSLGABKSZ-LJQANCHMSA-N 1 1 357.429 2.115 50 0 FEAAMO Cc1cc(I)ccc1OCC[NH+]1CCN(C)CC1 ZINC000020653229 211290862 /nfs/dbraw/zinc/29/08/62/211290862.db2.gz 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COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000012754041 539572262 /nfs/dbraw/zinc/57/22/62/539572262.db2.gz OFHAYHFWQLJGBZ-LBPRGKRZSA-N 1 1 354.410 2.324 50 0 FEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cn2cncn2)cc1 ZINC000012802724 539575264 /nfs/dbraw/zinc/57/52/64/539575264.db2.gz QPOGLBAZQDIWSN-FQEVSTJZSA-N 1 1 361.449 2.331 50 0 FEAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016719468 539635913 /nfs/dbraw/zinc/63/59/13/539635913.db2.gz GYIBDEDBVIYNMN-GASCZTMLSA-N 1 1 371.481 2.282 50 0 FEAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016719468 539635915 /nfs/dbraw/zinc/63/59/15/539635915.db2.gz GYIBDEDBVIYNMN-GASCZTMLSA-N 1 1 371.481 2.282 50 0 FEAAMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019901406 539670664 /nfs/dbraw/zinc/67/06/64/539670664.db2.gz LGTHYUQIIVQGDT-SFHVURJKSA-N 1 1 372.465 2.266 50 0 FEAAMO CN1C(=O)c2ccc(NC(=O)C[N@@H+](C)[C@H]3CCc4ccccc43)cc2C1=O ZINC000029487295 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CC[C@@H]1CN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)CC[N@H+]1C(C)C ZINC000952982795 681795259 /nfs/dbraw/zinc/79/52/59/681795259.db2.gz QZHLRDGIYINNKE-GFCCVEGCSA-N 1 1 353.444 2.027 50 0 FEAAMO CC[C@H]1CN(S(=O)(=O)CCOc2ccccc2F)CC[N@@H+]1C(C)C ZINC000952987669 681795556 /nfs/dbraw/zinc/79/55/56/681795556.db2.gz NUUPPZWWHVMTSY-HNNXBMFYSA-N 1 1 358.479 2.339 50 0 FEAAMO CC[C@H]1CN(S(=O)(=O)CCOc2ccccc2F)CC[N@H+]1C(C)C ZINC000952987669 681795560 /nfs/dbraw/zinc/79/55/60/681795560.db2.gz NUUPPZWWHVMTSY-HNNXBMFYSA-N 1 1 358.479 2.339 50 0 FEAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000299789505 529760008 /nfs/dbraw/zinc/76/00/08/529760008.db2.gz YQRPKCGDMDPFQB-OAHLLOKOSA-N 1 1 352.442 2.285 50 0 FEAAMO COc1ccc(Cl)cc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O ZINC000004503993 539386360 /nfs/dbraw/zinc/38/63/60/539386360.db2.gz GIGBJGXMBLJKEO-SCRDCRAPSA-N 1 1 351.834 2.076 50 0 FEAAMO COCC[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COC ZINC000005095789 539402213 /nfs/dbraw/zinc/40/22/13/539402213.db2.gz JUDQUTMTIFALAM-IBGZPJMESA-N 1 1 350.434 2.131 50 0 FEAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 ZINC000299770949 530056880 /nfs/dbraw/zinc/05/68/80/530056880.db2.gz OHELWOIYVACWQW-LLVKDONJSA-N 1 1 352.822 2.277 50 0 FEAAMO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)cc1S(N)(=O)=O ZINC000009499164 539503012 /nfs/dbraw/zinc/50/30/12/539503012.db2.gz LZHAUGHPFBCKLY-GFCCVEGCSA-N 1 1 367.496 2.335 50 0 FEAAMO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)cc1S(N)(=O)=O ZINC000009499164 539503015 /nfs/dbraw/zinc/50/30/15/539503015.db2.gz LZHAUGHPFBCKLY-GFCCVEGCSA-N 1 1 367.496 2.335 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 ZINC000010331048 539516095 /nfs/dbraw/zinc/51/60/95/539516095.db2.gz QCUXVMJTZIDLTC-CYBMUJFWSA-N 1 1 353.781 2.430 50 0 FEAAMO COc1ccc(CCN2C[C@@H]([NH2+]Cc3nc(C)c(C)nc3C)CC2=O)cc1 ZINC000011771914 539535416 /nfs/dbraw/zinc/53/54/16/539535416.db2.gz OEXXICHRXLYCNO-SFHVURJKSA-N 1 1 368.481 2.344 50 0 FEAAMO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000012195967 539549315 /nfs/dbraw/zinc/54/93/15/539549315.db2.gz YKTHUHOVZPTXOF-MRXNPFEDSA-N 1 1 360.483 2.293 50 0 FEAAMO C[NH+]1CCC(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000012302583 539552845 /nfs/dbraw/zinc/55/28/45/539552845.db2.gz FNCIXTZKVIRVHK-HNNXBMFYSA-N 1 1 355.404 2.490 50 0 FEAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)C1 ZINC000012305393 539552954 /nfs/dbraw/zinc/55/29/54/539552954.db2.gz UQFUMWUVXUAXPN-MRXNPFEDSA-N 1 1 352.438 2.198 50 0 FEAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012458664 539560916 /nfs/dbraw/zinc/56/09/16/539560916.db2.gz RVQCEWNZWGMCIW-QGZVFWFLSA-N 1 1 373.476 2.220 50 0 FEAAMO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000012583983 539566794 /nfs/dbraw/zinc/56/67/94/539566794.db2.gz HLGJXSSOPVFZKO-LJQANCHMSA-N 1 1 370.497 2.353 50 0 FEAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000022908123 539702451 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O=S(=O)(Cc1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024601872 539735729 /nfs/dbraw/zinc/73/57/29/539735729.db2.gz TXVMCDCIFCEKDJ-UHFFFAOYSA-N 1 1 360.479 2.138 50 0 FEAAMO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000025410529 539758483 /nfs/dbraw/zinc/75/84/83/539758483.db2.gz DGNQPKUSTXOUAX-KRWDZBQOSA-N 1 1 365.477 2.488 50 0 FEAAMO Cc1ccc(C(=O)NCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000029840096 539865859 /nfs/dbraw/zinc/86/58/59/539865859.db2.gz GXKLTGANFSMTRH-UHFFFAOYSA-N 1 1 365.477 2.289 50 0 FEAAMO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000030499736 539882866 /nfs/dbraw/zinc/88/28/66/539882866.db2.gz ICBIZDRMAHDYGZ-KRWDZBQOSA-N 1 1 362.451 2.054 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000032268460 539932012 /nfs/dbraw/zinc/93/20/12/539932012.db2.gz ATQGFJPLMJIXNO-CQSZACIVSA-N 1 1 368.861 2.198 50 0 FEAAMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000032441108 539939431 /nfs/dbraw/zinc/93/94/31/539939431.db2.gz NXCHVFFVTCLFRT-UONOGXRCSA-N 1 1 354.472 2.014 50 0 FEAAMO C[N@H+]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000032963987 539961805 /nfs/dbraw/zinc/96/18/05/539961805.db2.gz URVNTGCCDUBUKA-CMDGGOBGSA-N 1 1 355.482 2.103 50 0 FEAAMO COc1ccccc1CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040038935 540004555 /nfs/dbraw/zinc/00/45/55/540004555.db2.gz DEDXFLMQWBOABL-IYBDPMFKSA-N 1 1 363.502 2.425 50 0 FEAAMO COc1ccccc1CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040038935 540004557 /nfs/dbraw/zinc/00/45/57/540004557.db2.gz DEDXFLMQWBOABL-IYBDPMFKSA-N 1 1 363.502 2.425 50 0 FEAAMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000040149717 540008101 /nfs/dbraw/zinc/00/81/01/540008101.db2.gz MFJANAPITHGBBW-UHFFFAOYSA-N 1 1 364.442 2.136 50 0 FEAAMO CN(C)CCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040719384 540011017 /nfs/dbraw/zinc/01/10/17/540011017.db2.gz YILYPCIRNIVDDN-UHFFFAOYSA-N 1 1 352.442 2.496 50 0 FEAAMO O=C1C[C@H](C[N@@H+]2CCOc3ccc(CO)cc3C2)CN1c1ccccc1 ZINC000299769349 223088378 /nfs/dbraw/zinc/08/83/78/223088378.db2.gz PAEMYYJMZCFELC-QGZVFWFLSA-N 1 1 352.434 2.426 50 0 FEAAMO Cc1nnc(-c2ccc(C)c(NC(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)o1 ZINC000299786839 223096377 /nfs/dbraw/zinc/09/63/77/223096377.db2.gz QZJWWNICQJVPMR-MRXNPFEDSA-N 1 1 373.457 2.322 50 0 FEAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000299787666 223098249 /nfs/dbraw/zinc/09/82/49/223098249.db2.gz YPUXGZHKHRUHAO-MRXNPFEDSA-N 1 1 357.458 2.352 50 0 FEAAMO Cc1cc(=O)cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)n1C ZINC000299796054 223101466 /nfs/dbraw/zinc/10/14/66/223101466.db2.gz NCAZHASHFNPBME-UHFFFAOYSA-N 1 1 367.493 2.474 50 0 FEAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C[C@H]2O)no1 ZINC000299800692 223103923 /nfs/dbraw/zinc/10/39/23/223103923.db2.gz XLLZJXCCDBYLBP-NVXWUHKLSA-N 1 1 355.394 2.094 50 0 FEAAMO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCOCC2)o1 ZINC000067693162 541500101 /nfs/dbraw/zinc/50/01/01/541500101.db2.gz HEVYIEUFSDWEPP-UHFFFAOYSA-N 1 1 364.467 2.040 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc(Cl)c2)ncn1 ZINC000072140559 541786418 /nfs/dbraw/zinc/78/64/18/541786418.db2.gz FFENMLFULLZIRO-UHFFFAOYSA-N 1 1 356.817 2.466 50 0 FEAAMO Cc1ccccc1[C@H](C(=O)N1CCc2c(nc(C)nc2N(C)C)C1)[NH+](C)C ZINC000072142185 541787400 /nfs/dbraw/zinc/78/74/00/541787400.db2.gz HSCILOFQMCDFFB-LJQANCHMSA-N 1 1 367.497 2.347 50 0 FEAAMO Cc1ccsc1[C@H](CNS(=O)(=O)NCc1ccccc1)[NH+](C)C ZINC000072145168 541788167 /nfs/dbraw/zinc/78/81/67/541788167.db2.gz LRZVJJHJBCGOHI-HNNXBMFYSA-N 1 1 353.513 2.283 50 0 FEAAMO CNC(=O)CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072144803 541788381 /nfs/dbraw/zinc/78/83/81/541788381.db2.gz LYDFSKVCZOCCMK-GOSISDBHSA-N 1 1 363.477 2.411 50 0 FEAAMO Cc1c(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072150432 541789818 /nfs/dbraw/zinc/78/98/18/541789818.db2.gz FYPIUVPULPLSJM-PWRODBHTSA-N 1 1 352.482 2.496 50 0 FEAAMO F[C@H]1CCN(Cc2cc3n(n2)CCC[N@H+](Cc2cccc4nonc42)C3)C1 ZINC000072157845 541791551 /nfs/dbraw/zinc/79/15/51/541791551.db2.gz QVASGIYJQHUGAA-HNNXBMFYSA-N 1 1 370.432 2.369 50 0 FEAAMO F[C@H]1CCN(Cc2cc3n(n2)CCC[N@@H+](Cc2cccc4nonc42)C3)C1 ZINC000072157845 541791553 /nfs/dbraw/zinc/79/15/53/541791553.db2.gz QVASGIYJQHUGAA-HNNXBMFYSA-N 1 1 370.432 2.369 50 0 FEAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072164953 541794478 /nfs/dbraw/zinc/79/44/78/541794478.db2.gz RMPGVDDANAVGTP-ZDUSSCGKSA-N 1 1 363.408 2.495 50 0 FEAAMO O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1Oc1ccccc1 ZINC000072169667 541795005 /nfs/dbraw/zinc/79/50/05/541795005.db2.gz PLRMLUKOTJCYGL-SFHVURJKSA-N 1 1 365.433 2.172 50 0 FEAAMO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@H+](Cc4nccn4C)CC[C@H]32)o1 ZINC000072408632 541806869 /nfs/dbraw/zinc/80/68/69/541806869.db2.gz RDAHKEYVWDXHAL-FUHWJXTLSA-N 1 1 356.470 2.377 50 0 FEAAMO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@@H+](Cc4nccn4C)CC[C@H]32)o1 ZINC000072408632 541806873 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CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccncc3)C2)CC1 ZINC000019220697 220240557 /nfs/dbraw/zinc/24/05/57/220240557.db2.gz GVEJTRJPULIRCA-IBGZPJMESA-N 1 1 358.530 2.325 50 0 FEAAMO COc1coc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1=O ZINC000077391825 542377395 /nfs/dbraw/zinc/37/73/95/542377395.db2.gz PWBSBDYAQZVEST-FQEVSTJZSA-N 1 1 360.454 2.263 50 0 FEAAMO COc1coc(C[N@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1=O ZINC000077391825 542377397 /nfs/dbraw/zinc/37/73/97/542377397.db2.gz PWBSBDYAQZVEST-FQEVSTJZSA-N 1 1 360.454 2.263 50 0 FEAAMO O=C1CC[C@]2(CCC[N@@H+](CCOc3ccc(Cl)cc3)C2)CN1CCO ZINC000077423873 542380993 /nfs/dbraw/zinc/38/09/93/542380993.db2.gz WIXVGKZSYTYINE-IBGZPJMESA-N 1 1 366.889 2.416 50 0 FEAAMO O=C(CNC(=O)c1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005383 220347943 /nfs/dbraw/zinc/34/79/43/220347943.db2.gz OMKFDONZEWDQQP-UHFFFAOYSA-N 1 1 371.868 2.414 50 0 FEAAMO CCn1nnc2cc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000021052032 220349557 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Cc1[nH+]ccn1CC[C@H]1CCCCN1S(=O)(=O)NCc1ccccc1 ZINC000071775585 221374470 /nfs/dbraw/zinc/37/44/70/221374470.db2.gz OGTITPKJECFOSB-GOSISDBHSA-N 1 1 362.499 2.471 50 0 FEAAMO COCCn1cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cn1 ZINC000079506364 542522986 /nfs/dbraw/zinc/52/29/86/542522986.db2.gz QUSZOMGOLFQDMM-ZDUSSCGKSA-N 1 1 363.487 2.159 50 0 FEAAMO COCCn1cc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cn1 ZINC000079506364 542522991 /nfs/dbraw/zinc/52/29/91/542522991.db2.gz QUSZOMGOLFQDMM-ZDUSSCGKSA-N 1 1 363.487 2.159 50 0 FEAAMO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(N3CCOCC3)c2)C1 ZINC000091594154 132202529 /nfs/dbraw/zinc/20/25/29/132202529.db2.gz BGXORISWLFGKSD-UYAOXDASSA-N 1 1 372.513 2.101 50 0 FEAAMO CN1CC[C@]2(CN(c3ncccc3C(F)(F)F)CC[N@H+]2C)CCC1=O ZINC000091807914 132203876 /nfs/dbraw/zinc/20/38/76/132203876.db2.gz QOZZWVCSCBXAFP-INIZCTEOSA-N 1 1 356.392 2.233 50 0 FEAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000095351995 132207023 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CCC[C@H]1C[N@@H+](CCC(=O)N2CCc3ccccc3C2)C[C@@H]1NC(C)=O ZINC000091587223 542814377 /nfs/dbraw/zinc/81/43/77/542814377.db2.gz WOFNMFBWZHSBOQ-PMACEKPBSA-N 1 1 357.498 2.198 50 0 FEAAMO Cc1cccc([C@H](C(=O)NC2(CN3CCOCC3)CCCC2)[NH+](C)C)c1 ZINC000091620367 542815825 /nfs/dbraw/zinc/81/58/25/542815825.db2.gz LXNFLBUQNAPSJE-LJQANCHMSA-N 1 1 359.514 2.359 50 0 FEAAMO Cc1occc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091713396 542821078 /nfs/dbraw/zinc/82/10/78/542821078.db2.gz BFPFZGXLFUTUQP-MRXNPFEDSA-N 1 1 359.470 2.137 50 0 FEAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)c(C)o1 ZINC000091769209 542824644 /nfs/dbraw/zinc/82/46/44/542824644.db2.gz MOMPFNNHGITISU-KRWDZBQOSA-N 1 1 373.497 2.445 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(C)cc1=O)C2 ZINC000091794553 542826008 /nfs/dbraw/zinc/82/60/08/542826008.db2.gz NDAKKCAFFLMGLM-JKSUJKDBSA-N 1 1 370.453 2.025 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(C)cc1=O)C2 ZINC000091794553 542826012 /nfs/dbraw/zinc/82/60/12/542826012.db2.gz NDAKKCAFFLMGLM-JKSUJKDBSA-N 1 1 370.453 2.025 50 0 FEAAMO CN1CC2(CCC1=O)CCN(C(=O)[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000091847593 542828624 /nfs/dbraw/zinc/82/86/24/542828624.db2.gz XVXLLCGGDCBMGS-GOSISDBHSA-N 1 1 361.461 2.289 50 0 FEAAMO OCCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1coc(-c3ccccc3)n1)CC2 ZINC000092064964 542842390 /nfs/dbraw/zinc/84/23/90/542842390.db2.gz LQDBMOJWKBLIAB-MSOLQXFVSA-N 1 1 358.438 2.066 50 0 FEAAMO O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091930941 542832592 /nfs/dbraw/zinc/83/25/92/542832592.db2.gz HNSWCTGGHRYRLY-LEWJYISDSA-N 1 1 365.477 2.239 50 0 FEAAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000091950809 542833161 /nfs/dbraw/zinc/83/31/61/542833161.db2.gz KIOKTNKTMLISTC-GOSISDBHSA-N 1 1 362.481 2.407 50 0 FEAAMO CCN1CC[C@@]2(CN(C(=O)CCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000092028891 542839459 /nfs/dbraw/zinc/83/94/59/542839459.db2.gz 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C[N@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccccc1Cl ZINC000095372062 542962703 /nfs/dbraw/zinc/96/27/03/542962703.db2.gz WWKOAVVGFAYDPP-AWEZNQCLSA-N 1 1 351.878 2.451 50 0 FEAAMO C[C@H](C(=O)NCc1ccccc1-n1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000095372232 542962711 /nfs/dbraw/zinc/96/27/11/542962711.db2.gz HRGOXFNMEIKBMM-MRXNPFEDSA-N 1 1 361.449 2.330 50 0 FEAAMO C[C@H](C(=O)NCc1ccccc1-n1cncn1)[N@H+]1CCc2ccccc2C1 ZINC000095372232 542962714 /nfs/dbraw/zinc/96/27/14/542962714.db2.gz HRGOXFNMEIKBMM-MRXNPFEDSA-N 1 1 361.449 2.330 50 0 FEAAMO COc1coc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1=O ZINC000095372485 542963033 /nfs/dbraw/zinc/96/30/33/542963033.db2.gz ILQPEOGERUFIFE-DLBZAZTESA-N 1 1 368.433 2.271 50 0 FEAAMO COc1coc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1=O ZINC000095372485 542963037 /nfs/dbraw/zinc/96/30/37/542963037.db2.gz ILQPEOGERUFIFE-DLBZAZTESA-N 1 1 368.433 2.271 50 0 FEAAMO Cc1cc2nc(C)cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000072457707 136148711 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CN1CC[NH+]([C@@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000426387141 263573230 /nfs/dbraw/zinc/57/32/30/263573230.db2.gz TUWPPYNPQQCJFK-OAQYLSRUSA-N 1 1 366.509 2.414 50 0 FEAAMO O=C(NCc1ccc2c(c1)OCO2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000426599844 263643119 /nfs/dbraw/zinc/64/31/19/263643119.db2.gz ZNVVKTFWFWUEBZ-UHFFFAOYSA-N 1 1 368.437 2.228 50 0 FEAAMO O=C(NCc1ccc2c(c1)OCO2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000426599844 263643121 /nfs/dbraw/zinc/64/31/21/263643121.db2.gz ZNVVKTFWFWUEBZ-UHFFFAOYSA-N 1 1 368.437 2.228 50 0 FEAAMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000120534225 326266420 /nfs/dbraw/zinc/26/64/20/326266420.db2.gz MPSCKAICKKWVPZ-MRXNPFEDSA-N 1 1 363.465 2.207 50 0 FEAAMO Cc1cc(C[C@@H](C)NC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)n[nH]1 ZINC000299775471 533755020 /nfs/dbraw/zinc/75/50/20/533755020.db2.gz FXBABQRNBYPIFB-LLVKDONJSA-N 1 1 350.850 2.460 50 0 FEAAMO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000299761290 534140583 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O[C@H](COc1ccc2c(c1)CCC2)C[NH+]1CCN(c2ccccn2)CC1 ZINC000016183408 539628479 /nfs/dbraw/zinc/62/84/79/539628479.db2.gz BQUITCIZNCNGBP-IBGZPJMESA-N 1 1 353.466 2.132 50 0 FEAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000020454982 539674896 /nfs/dbraw/zinc/67/48/96/539674896.db2.gz FVHCOWVEGCAXFP-JOCHJYFZSA-N 1 1 370.541 2.284 50 0 FEAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2C1 ZINC000021296792 539682183 /nfs/dbraw/zinc/68/21/83/539682183.db2.gz VVRKNLLHVVQOSL-UHFFFAOYSA-N 1 1 373.482 2.005 50 0 FEAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2C1 ZINC000021296792 539682185 /nfs/dbraw/zinc/68/21/85/539682185.db2.gz VVRKNLLHVVQOSL-UHFFFAOYSA-N 1 1 373.482 2.005 50 0 FEAAMO Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CC[NH+](C)CC2)cc1C ZINC000022938341 539703275 /nfs/dbraw/zinc/70/32/75/539703275.db2.gz CNFAPFCIDFMHEA-LJQANCHMSA-N 1 1 371.481 2.380 50 0 FEAAMO CC(C)(C)NC(=O)CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000023249204 539710005 /nfs/dbraw/zinc/71/00/05/539710005.db2.gz RZADZKXAWVTNAI-UHFFFAOYSA-N 1 1 353.507 2.450 50 0 FEAAMO c1nc2ccccc2n1C[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000023258856 539710416 /nfs/dbraw/zinc/71/04/16/539710416.db2.gz KGFUOQACYAIMRW-UHFFFAOYSA-N 1 1 365.485 2.130 50 0 FEAAMO CCc1[nH]c2c(cc(F)cc2CNC(=O)C[C@@H]2CN(C)CC[N@H+]2C)c1C ZINC000023374076 539713076 /nfs/dbraw/zinc/71/30/76/539713076.db2.gz ASHKGAKXSBJBMQ-MRXNPFEDSA-N 1 1 360.477 2.430 50 0 FEAAMO CCc1[nH]c2c(cc(F)cc2CNC(=O)C[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000023374076 539713078 /nfs/dbraw/zinc/71/30/78/539713078.db2.gz ASHKGAKXSBJBMQ-MRXNPFEDSA-N 1 1 360.477 2.430 50 0 FEAAMO CCc1[nH]c2c(cc(F)cc2CNC(=O)C[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000023374076 539713081 /nfs/dbraw/zinc/71/30/81/539713081.db2.gz ASHKGAKXSBJBMQ-MRXNPFEDSA-N 1 1 360.477 2.430 50 0 FEAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)N1CCc2ccccc21 ZINC000026135014 539777998 /nfs/dbraw/zinc/77/79/98/539777998.db2.gz KKUHKZLHVLMMBK-IBGZPJMESA-N 1 1 367.449 2.340 50 0 FEAAMO O=Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026358689 539784702 /nfs/dbraw/zinc/78/47/02/539784702.db2.gz VDUNKIGMXKDAMK-UHFFFAOYSA-N 1 1 366.417 2.000 50 0 FEAAMO Cc1ccc(-c2cnc(CCC(=O)NCCC[NH+]3CCOCC3)o2)cc1 ZINC000027689611 539814616 /nfs/dbraw/zinc/81/46/16/539814616.db2.gz KWFHAVRVKYBFIC-UHFFFAOYSA-N 1 1 357.454 2.421 50 0 FEAAMO C[N@@H+]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030029522 539873273 /nfs/dbraw/zinc/87/32/73/539873273.db2.gz FGGFLXHMVBGZBB-LJQANCHMSA-N 1 1 372.490 2.360 50 0 FEAAMO C[N@H+]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030029522 539873277 /nfs/dbraw/zinc/87/32/77/539873277.db2.gz FGGFLXHMVBGZBB-LJQANCHMSA-N 1 1 372.490 2.360 50 0 FEAAMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000030153851 539874890 /nfs/dbraw/zinc/87/48/90/539874890.db2.gz USMMBGZBEJYPGV-UHFFFAOYSA-N 1 1 372.513 2.271 50 0 FEAAMO CCc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035349308 539980435 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C[NH+]1CCN(CCCCNC(=O)c2ccccc2Br)CC1 ZINC000041362625 540017675 /nfs/dbraw/zinc/01/76/75/540017675.db2.gz MZJODKFQOFSPAQ-UHFFFAOYSA-N 1 1 354.292 2.207 50 0 FEAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000043730468 540108204 /nfs/dbraw/zinc/10/82/04/540108204.db2.gz VCHIEKONPXTXBN-LCONNIHZSA-N 1 1 367.449 2.020 50 0 FEAAMO Cc1ccc([C@@H](NC(=O)CCN2CC[NH+](C)CC2)c2ccncc2)cc1 ZINC000299772143 223089752 /nfs/dbraw/zinc/08/97/52/223089752.db2.gz YVXPMFPZLIFHGL-OAQYLSRUSA-N 1 1 352.482 2.233 50 0 FEAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000299780694 223093906 /nfs/dbraw/zinc/09/39/06/223093906.db2.gz CGYINXRKJJSUDZ-LBPRGKRZSA-N 1 1 371.384 2.488 50 0 FEAAMO Cc1nnc(-c2ccc(C)c(NC(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)o1 ZINC000299786835 223096865 /nfs/dbraw/zinc/09/68/65/223096865.db2.gz QZJWWNICQJVPMR-INIZCTEOSA-N 1 1 373.457 2.322 50 0 FEAAMO COc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nc3)C2)c1 ZINC000065267284 541231212 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CSc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)cs1 ZINC000091736519 542822093 /nfs/dbraw/zinc/82/20/93/542822093.db2.gz IJVMGFQHQXMJPD-UHFFFAOYSA-N 1 1 363.512 2.208 50 0 FEAAMO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000091793568 542826204 /nfs/dbraw/zinc/82/62/04/542826204.db2.gz SPVLQXVIYZSBKL-FUHWJXTLSA-N 1 1 371.460 2.036 50 0 FEAAMO COCC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2OC)OCCO3)C[C@H]1C ZINC000091915289 542832124 /nfs/dbraw/zinc/83/21/24/542832124.db2.gz LYPDRZXONZPZFX-AUUYWEPGSA-N 1 1 351.443 2.076 50 0 FEAAMO COc1ccc2c(c1)OC[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000091932410 542833470 /nfs/dbraw/zinc/83/34/70/542833470.db2.gz GOUMGNKTYNRDDS-IBGZPJMESA-N 1 1 366.461 2.421 50 0 FEAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)N2CCOCC2)C3)cc1 ZINC000091974255 542834517 /nfs/dbraw/zinc/83/45/17/542834517.db2.gz JJXMQOATRRSOKP-ZWKOTPCHSA-N 1 1 359.470 2.044 50 0 FEAAMO Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000092001772 542835669 /nfs/dbraw/zinc/83/56/69/542835669.db2.gz WZMJLQOOHFLHMM-FUHWJXTLSA-N 1 1 369.440 2.470 50 0 FEAAMO Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000092001772 542835673 /nfs/dbraw/zinc/83/56/73/542835673.db2.gz WZMJLQOOHFLHMM-FUHWJXTLSA-N 1 1 369.440 2.470 50 0 FEAAMO Cc1nccc(N[C@H]2C[N@@H+](CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)n1 ZINC000092003415 542836499 /nfs/dbraw/zinc/83/64/99/542836499.db2.gz XYHXHPJMZQFZHQ-MSOLQXFVSA-N 1 1 359.518 2.018 50 0 FEAAMO O=C(Cn1ccc(=O)c2ccccc21)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000092028660 542838880 /nfs/dbraw/zinc/83/88/80/542838880.db2.gz YONCDBRDGPYZCT-QZTJIDSGSA-N 1 1 365.477 2.334 50 0 FEAAMO COCc1noc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000092022705 542838915 /nfs/dbraw/zinc/83/89/15/542838915.db2.gz IMAVEJPBBWMJBD-LJQANCHMSA-N 1 1 362.474 2.363 50 0 FEAAMO COCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000092022705 542838916 /nfs/dbraw/zinc/83/89/16/542838916.db2.gz IMAVEJPBBWMJBD-LJQANCHMSA-N 1 1 362.474 2.363 50 0 FEAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000092046012 542841059 /nfs/dbraw/zinc/84/10/59/542841059.db2.gz WKCWFDVZBHOHDQ-GOEBONIOSA-N 1 1 364.453 2.331 50 0 FEAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000092046012 542841062 /nfs/dbraw/zinc/84/10/62/542841062.db2.gz WKCWFDVZBHOHDQ-GOEBONIOSA-N 1 1 364.453 2.331 50 0 FEAAMO COc1cc(CN2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)ccc1F ZINC000092065503 542842141 /nfs/dbraw/zinc/84/21/41/542842141.db2.gz RJDUJIGCIGJBEZ-HXUWFJFHSA-N 1 1 366.477 2.130 50 0 FEAAMO CCNC(=O)c1ccc(N2CC[N@@H+](CC3CCCCC3)[C@H](CCO)C2)nc1 ZINC000072430996 136146996 /nfs/dbraw/zinc/14/69/96/136146996.db2.gz XSPOXFXECUUFFU-LJQANCHMSA-N 1 1 374.529 2.285 50 0 FEAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)C3)c2c1C ZINC000023381109 136152722 /nfs/dbraw/zinc/15/27/22/136152722.db2.gz SALBCQHJSMIBQR-UHFFFAOYSA-N 1 1 359.499 2.230 50 0 FEAAMO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095352381 542957148 /nfs/dbraw/zinc/95/71/48/542957148.db2.gz JATOTOHDLAXVJS-CQSZACIVSA-N 1 1 357.487 2.204 50 0 FEAAMO CCN1CC[C@]2(CN(Cc3ccc(-c4cc[nH]n4)o3)CC[N@H+]2C)CCC1=O ZINC000095356258 542958134 /nfs/dbraw/zinc/95/81/34/542958134.db2.gz XPYQVOXTSKCHBV-FQEVSTJZSA-N 1 1 371.485 2.188 50 0 FEAAMO CCN1CC[C@]2(C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCN2C)CCC1=O ZINC000095356258 542958135 /nfs/dbraw/zinc/95/81/35/542958135.db2.gz XPYQVOXTSKCHBV-FQEVSTJZSA-N 1 1 371.485 2.188 50 0 FEAAMO CCN1CC[C@]2(C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCN2C)CCC1=O ZINC000095356258 542958138 /nfs/dbraw/zinc/95/81/38/542958138.db2.gz XPYQVOXTSKCHBV-FQEVSTJZSA-N 1 1 371.485 2.188 50 0 FEAAMO O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095357221 542959387 /nfs/dbraw/zinc/95/93/87/542959387.db2.gz MCDYWTCRBLAPBE-SFHVURJKSA-N 1 1 368.481 2.380 50 0 FEAAMO C[C@@H]1CN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965232 /nfs/dbraw/zinc/96/52/32/542965232.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 1 1 362.489 2.488 50 0 FEAAMO C[C@@H]1C[N@@H+](C[C@@H]2CN(C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965235 /nfs/dbraw/zinc/96/52/35/542965235.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 1 1 362.489 2.488 50 0 FEAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965238 /nfs/dbraw/zinc/96/52/38/542965238.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 1 1 362.489 2.488 50 0 FEAAMO O=C(NCc1cc(-c2cccnc2)no1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095382342 542965663 /nfs/dbraw/zinc/96/56/63/542965663.db2.gz NVJOIRJCDNVHMH-INIZCTEOSA-N 1 1 370.453 2.244 50 0 FEAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1C ZINC000095388779 542967477 /nfs/dbraw/zinc/96/74/77/542967477.db2.gz WMXJLMHEQDEJDH-MRXNPFEDSA-N 1 1 356.474 2.265 50 0 FEAAMO O=C(CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1)NC[C@H]1CCCO1 ZINC000095519543 542978812 /nfs/dbraw/zinc/97/88/12/542978812.db2.gz VSMZFBFOJDZSKM-MRXNPFEDSA-N 1 1 362.474 2.234 50 0 FEAAMO CN(CCO)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095497087 542973281 /nfs/dbraw/zinc/97/32/81/542973281.db2.gz OGFKFUIEQNALNV-GOSISDBHSA-N 1 1 370.921 2.380 50 0 FEAAMO O=C(CC[NH+]1CCCCCCC1)N1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095501346 542975438 /nfs/dbraw/zinc/97/54/38/542975438.db2.gz CRGLFVQOMLCXRM-NRFANRHFSA-N 1 1 373.541 2.348 50 0 FEAAMO CC(C)C(=O)NCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095531424 542983131 /nfs/dbraw/zinc/98/31/31/542983131.db2.gz YVXHRGRJPHBWCK-GOSISDBHSA-N 1 1 357.498 2.239 50 0 FEAAMO CCOCCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000095961590 542984445 /nfs/dbraw/zinc/98/44/45/542984445.db2.gz PWSQYYWIZXYQHX-INIZCTEOSA-N 1 1 370.515 2.112 50 0 FEAAMO O=C(NCc1ccccc1)c1cc(NCCC[NH+]2CCOCC2)ccn1 ZINC000095958626 542984665 /nfs/dbraw/zinc/98/46/65/542984665.db2.gz AEMQZPBLNBQBQV-UHFFFAOYSA-N 1 1 354.454 2.146 50 0 FEAAMO C[N@H+]1CCC[C@@H](CN2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522898 542979934 /nfs/dbraw/zinc/97/99/34/542979934.db2.gz YJCWYQQZGXWMEB-QGZVFWFLSA-N 1 1 374.533 2.490 50 0 FEAAMO CC(C)CNC(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097088753 543004041 /nfs/dbraw/zinc/00/40/41/543004041.db2.gz QWEZYSCYNVWPEX-IBGZPJMESA-N 1 1 372.513 2.161 50 0 FEAAMO CC(C)CNC(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097088753 543004043 /nfs/dbraw/zinc/00/40/43/543004043.db2.gz QWEZYSCYNVWPEX-IBGZPJMESA-N 1 1 372.513 2.161 50 0 FEAAMO Cc1noc(-c2ccc(N3CC[N@@H+](Cc4ccccc4)C[C@@H](O)C3)nc2)n1 ZINC000108272338 543285043 /nfs/dbraw/zinc/28/50/43/543285043.db2.gz WJXRMNVDMIRKHY-GOSISDBHSA-N 1 1 365.437 2.123 50 0 FEAAMO C[NH2+][C@@H](c1nc(COc2cccc(F)c2)nn1CCO)c1ccccc1 ZINC000096135692 222040089 /nfs/dbraw/zinc/04/00/89/222040089.db2.gz GXGHJIQUZNZCER-GOSISDBHSA-N 1 1 356.401 2.297 50 0 FEAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1cnccn1)CC2 ZINC000096138546 222043126 /nfs/dbraw/zinc/04/31/26/222043126.db2.gz DESBXDGLRBIOHF-SFHVURJKSA-N 1 1 350.466 2.500 50 0 FEAAMO COCCNC(=O)c1ccc(NC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000096142093 222046265 /nfs/dbraw/zinc/04/62/65/222046265.db2.gz BRCRIXUIDOQAPG-FQEVSTJZSA-N 1 1 374.485 2.012 50 0 FEAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)C[N@H+]1C1CCCC1 ZINC000096179682 222067507 /nfs/dbraw/zinc/06/75/07/222067507.db2.gz KAHVZUZOQCALML-WMZOPIPTSA-N 1 1 358.486 2.065 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2c[nH]c3ccccc32)ncn1 ZINC000096544716 222123369 /nfs/dbraw/zinc/12/33/69/222123369.db2.gz YXBKXDDRYPYFMV-UHFFFAOYSA-N 1 1 361.409 2.294 50 0 FEAAMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@H]3O)s2)cc1 ZINC000097165561 222165900 /nfs/dbraw/zinc/16/59/00/222165900.db2.gz KJFUQMRVTDHREN-LSDHHAIUSA-N 1 1 360.483 2.170 50 0 FEAAMO COCc1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000097492924 222185161 /nfs/dbraw/zinc/18/51/61/222185161.db2.gz QQABPMKUYSNVAA-UHFFFAOYSA-N 1 1 357.454 2.103 50 0 FEAAMO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCn2c(C)cccc2=O)C1 ZINC000097637870 222200887 /nfs/dbraw/zinc/20/08/87/222200887.db2.gz BKSMVEJSIJHASA-IBGZPJMESA-N 1 1 367.493 2.494 50 0 FEAAMO Cc1cc(C)n(C2C[NH+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)n1 ZINC000097696176 222205993 /nfs/dbraw/zinc/20/59/93/222205993.db2.gz NXGBCSVZAUXCFB-UHFFFAOYSA-N 1 1 351.454 2.355 50 0 FEAAMO Cn1nnc2cc(NC(=O)N3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000097732689 222208896 /nfs/dbraw/zinc/20/88/96/222208896.db2.gz GTPOMEFRWOTXQS-UHFFFAOYSA-N 1 1 364.453 2.361 50 0 FEAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(NCc3cccs3)[nH]c2n1 ZINC000101797066 222284399 /nfs/dbraw/zinc/28/43/99/222284399.db2.gz VEQWPQBLEWMJTC-GFCCVEGCSA-N 1 1 358.471 2.466 50 0 FEAAMO C[N@H+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@@]12CCNC(=O)CC2 ZINC000107638617 222399097 /nfs/dbraw/zinc/39/90/97/222399097.db2.gz YOOZLIDOGBCYCA-OAQYLSRUSA-N 1 1 357.498 2.186 50 0 FEAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCOC2(CCCC2)C1 ZINC000151526686 544552347 /nfs/dbraw/zinc/55/23/47/544552347.db2.gz TYSUETGWVBNFNH-LJQANCHMSA-N 1 1 358.482 2.449 50 0 FEAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCOC2(CCCC2)C1 ZINC000151526686 544552352 /nfs/dbraw/zinc/55/23/52/544552352.db2.gz TYSUETGWVBNFNH-LJQANCHMSA-N 1 1 358.482 2.449 50 0 FEAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454855 263380221 /nfs/dbraw/zinc/38/02/21/263380221.db2.gz DMMDMBCOAQYTMQ-GOSISDBHSA-N 1 1 367.497 2.161 50 0 FEAAMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1COc2ccccc21 ZINC000189531363 328153368 /nfs/dbraw/zinc/15/33/68/328153368.db2.gz KWFYERSFSOOWOD-ZOBUZTSGSA-N 1 1 361.486 2.038 50 0 FEAAMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000153521723 326734946 /nfs/dbraw/zinc/73/49/46/326734946.db2.gz VHKUMVGLPCFDIP-UHFFFAOYSA-N 1 1 356.405 2.133 50 0 FEAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)C1 ZINC000248321234 521104035 /nfs/dbraw/zinc/10/40/35/521104035.db2.gz UMIWLDKSHOALRQ-MOPGFXCFSA-N 1 1 358.482 2.495 50 0 FEAAMO CCCc1n[nH]c2c1C[N@H+](Cc1cnc(NC[C@H]3CCCO3)nc1)CC2 ZINC000019745831 521462220 /nfs/dbraw/zinc/46/22/20/521462220.db2.gz IZOQBHLMBUTBLL-OAHLLOKOSA-N 1 1 356.474 2.301 50 0 FEAAMO CCCc1n[nH]c2c1C[N@@H+](Cc1cnc(NC[C@H]3CCCO3)nc1)CC2 ZINC000019745831 521462229 /nfs/dbraw/zinc/46/22/29/521462229.db2.gz IZOQBHLMBUTBLL-OAHLLOKOSA-N 1 1 356.474 2.301 50 0 FEAAMO CCCc1[nH]nc2c1C[N@H+](Cc1cnc(NC[C@H]3CCCO3)nc1)CC2 ZINC000019745831 521462236 /nfs/dbraw/zinc/46/22/36/521462236.db2.gz IZOQBHLMBUTBLL-OAHLLOKOSA-N 1 1 356.474 2.301 50 0 FEAAMO CCCc1[nH]nc2c1C[N@@H+](Cc1cnc(NC[C@H]3CCCO3)nc1)CC2 ZINC000019745831 521462246 /nfs/dbraw/zinc/46/22/46/521462246.db2.gz IZOQBHLMBUTBLL-OAHLLOKOSA-N 1 1 356.474 2.301 50 0 FEAAMO CCNC(=O)NC(=O)CN1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000241144853 521741032 /nfs/dbraw/zinc/74/10/32/521741032.db2.gz JTQHDTLCGPXOBN-RBUKOAKNSA-N 1 1 372.513 2.209 50 0 FEAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc3c(C)c(C)[nH]c32)C[C@@H]1CO ZINC000091504380 523618263 /nfs/dbraw/zinc/61/82/63/523618263.db2.gz UNGRQHPYHRAEFJ-IAGOWNOFSA-N 1 1 373.497 2.043 50 0 FEAAMO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](CCn2cccc2)CC1 ZINC000091694509 523672599 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FEAAMO Cc1cc(C)n2ncc(C[N@@H+]3CCCN(Cc4cccnc4)CC3)c2n1 ZINC000216199370 548675419 /nfs/dbraw/zinc/67/54/19/548675419.db2.gz ANOQNQMHDNDIKI-UHFFFAOYSA-N 1 1 350.470 2.449 50 0 FEAAMO Cc1cc(C)n2ncc(C[N@H+]3CCCN(Cc4cccnc4)CC3)c2n1 ZINC000216199370 548675421 /nfs/dbraw/zinc/67/54/21/548675421.db2.gz ANOQNQMHDNDIKI-UHFFFAOYSA-N 1 1 350.470 2.449 50 0 FEAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cn2nc(C)sc2n1 ZINC000221241368 548704366 /nfs/dbraw/zinc/70/43/66/548704366.db2.gz OSDQBKQEUZHFNS-INIZCTEOSA-N 1 1 355.467 2.162 50 0 FEAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cn2nc(C)sc2n1 ZINC000221241368 548704368 /nfs/dbraw/zinc/70/43/68/548704368.db2.gz OSDQBKQEUZHFNS-INIZCTEOSA-N 1 1 355.467 2.162 50 0 FEAAMO COc1cc2[nH+]c(N(CCCO)Cc3ccccn3)nc(N)c2cc1OC ZINC000225463484 548734961 /nfs/dbraw/zinc/73/49/61/548734961.db2.gz LLCDQDGKJIWMJL-UHFFFAOYSA-N 1 1 369.425 2.013 50 0 FEAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000226848563 548749638 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2.488 50 0 FEAAMO O=C(C[NH+]1CCC([C@@H](O)c2ccccn2)CC1)NCCc1ccc(F)cc1 ZINC000244893043 548898444 /nfs/dbraw/zinc/89/84/44/548898444.db2.gz YUGRRUATGOGMPC-OAQYLSRUSA-N 1 1 371.456 2.325 50 0 FEAAMO COc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000244884186 548898453 /nfs/dbraw/zinc/89/84/53/548898453.db2.gz YHAOUKRGKOHALN-SFHVURJKSA-N 1 1 369.465 2.422 50 0 FEAAMO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000244884186 548898456 /nfs/dbraw/zinc/89/84/56/548898456.db2.gz YHAOUKRGKOHALN-SFHVURJKSA-N 1 1 369.465 2.422 50 0 FEAAMO COC(=O)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000248743005 549495004 /nfs/dbraw/zinc/49/50/04/549495004.db2.gz BYNSLEAXXWQVKO-MPGHIAIKSA-N 1 1 360.454 2.073 50 0 FEAAMO Cc1ccc2[nH]c(C[NH+]3CCC(c4nnc(CO)n4C)CC3)nc2c1C ZINC000252504190 549670999 /nfs/dbraw/zinc/67/09/99/549670999.db2.gz VIANMGZIXJHKEL-UHFFFAOYSA-N 1 1 354.458 2.180 50 0 FEAAMO COC[C@@H]1C[N@@H+](Cc2ccc(Br)o2)C[C@H]1C(=O)NC1CC1 ZINC000253412723 549687443 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CCC(=O)NCc1cc2n(n1)CC[N@@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC000426423292 571223600 /nfs/dbraw/zinc/22/36/00/571223600.db2.gz DTPNMRDMPQYKLE-SFHVURJKSA-N 1 1 353.470 2.004 50 0 FEAAMO CCC(=O)NCc1cc2n(n1)CC[N@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC000426423292 571223602 /nfs/dbraw/zinc/22/36/02/571223602.db2.gz DTPNMRDMPQYKLE-SFHVURJKSA-N 1 1 353.470 2.004 50 0 FEAAMO Cn1cc([C@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)[NH+](C)C)cn1 ZINC000090582451 670714245 /nfs/dbraw/zinc/71/42/45/670714245.db2.gz JCEHHIKXRMOEIT-KRWDZBQOSA-N 1 1 361.877 2.444 50 0 FEAAMO COCc1nnc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)CC(C)C)CC3)o1 ZINC000169787210 672322386 /nfs/dbraw/zinc/32/23/86/672322386.db2.gz NYNSJIBOVIBSRT-CQSZACIVSA-N 1 1 350.463 2.248 50 0 FEAAMO COCc1nnc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)CC(C)C)CC3)o1 ZINC000169787210 672322387 /nfs/dbraw/zinc/32/23/87/672322387.db2.gz NYNSJIBOVIBSRT-CQSZACIVSA-N 1 1 350.463 2.248 50 0 FEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004687387 539390461 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Cc1ccc(CN2C[C@H](C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2=O)cc1 ZINC000009605003 539505104 /nfs/dbraw/zinc/50/51/04/539505104.db2.gz DSRNCOZYGBUFHK-MSOLQXFVSA-N 1 1 369.465 2.356 50 0 FEAAMO Cc1ccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)c(C)c1 ZINC000009407440 539502603 /nfs/dbraw/zinc/50/26/03/539502603.db2.gz CVXJTQYUXFEVAR-UHFFFAOYSA-N 1 1 352.442 2.388 50 0 FEAAMO COc1ccccc1CNC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000010050672 539511344 /nfs/dbraw/zinc/51/13/44/539511344.db2.gz LVYNENBZCAGLMW-UHFFFAOYSA-N 1 1 356.422 2.215 50 0 FEAAMO COc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000010050672 539511349 /nfs/dbraw/zinc/51/13/49/539511349.db2.gz LVYNENBZCAGLMW-UHFFFAOYSA-N 1 1 356.422 2.215 50 0 FEAAMO C/C=C/CN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(CCCC)c3=O ZINC000010330990 539516397 /nfs/dbraw/zinc/51/63/97/539516397.db2.gz FVEBVMQDCZZYOF-XOVSCCBYSA-N 1 1 358.446 2.030 50 0 FEAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2F)[NH+](C)C)c1 ZINC000010091215 539512323 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Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)[nH]n1 ZINC000012307387 539554219 /nfs/dbraw/zinc/55/42/19/539554219.db2.gz FGGWMPOMNJETLZ-FQEVSTJZSA-N 1 1 356.470 2.012 50 0 FEAAMO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)[nH]n1 ZINC000012307387 539554224 /nfs/dbraw/zinc/55/42/24/539554224.db2.gz FGGWMPOMNJETLZ-FQEVSTJZSA-N 1 1 356.470 2.012 50 0 FEAAMO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000012453508 539561309 /nfs/dbraw/zinc/56/13/09/539561309.db2.gz YFBVRPJPJBGSPJ-OAHLLOKOSA-N 1 1 355.442 2.499 50 0 FEAAMO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000012453508 539561312 /nfs/dbraw/zinc/56/13/12/539561312.db2.gz YFBVRPJPJBGSPJ-OAHLLOKOSA-N 1 1 355.442 2.499 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014140703 539596743 /nfs/dbraw/zinc/59/67/43/539596743.db2.gz FQKIPROECVQBJF-SFHVURJKSA-N 1 1 361.461 2.278 50 0 FEAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](OC)C3)n2)c(OC)c1OC ZINC000014948745 539607580 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CN1CCC([N@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713464 /nfs/dbraw/zinc/71/34/64/539713464.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 1 1 351.922 2.303 50 0 FEAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025368600 539757521 /nfs/dbraw/zinc/75/75/21/539757521.db2.gz DSCLJCBYZVXYPT-KRWDZBQOSA-N 1 1 357.406 2.490 50 0 FEAAMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025368600 539757527 /nfs/dbraw/zinc/75/75/27/539757527.db2.gz DSCLJCBYZVXYPT-KRWDZBQOSA-N 1 1 357.406 2.490 50 0 FEAAMO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCOc1ccccc1F ZINC000029141283 539843822 /nfs/dbraw/zinc/84/38/22/539843822.db2.gz ALHSUYVXMTYYPP-NSHDSACASA-N 1 1 365.430 2.324 50 0 FEAAMO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCOc1ccccc1F ZINC000029141283 539843826 /nfs/dbraw/zinc/84/38/26/539843826.db2.gz ALHSUYVXMTYYPP-NSHDSACASA-N 1 1 365.430 2.324 50 0 FEAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000029148649 539844710 /nfs/dbraw/zinc/84/47/10/539844710.db2.gz PEPPAISYGVGEBC-UHFFFAOYSA-N 1 1 369.513 2.295 50 0 FEAAMO C[N@@H+]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030029523 539873328 /nfs/dbraw/zinc/87/33/28/539873328.db2.gz FGGFLXHMVBGZBB-IBGZPJMESA-N 1 1 372.490 2.360 50 0 FEAAMO C[N@H+]1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030029523 539873332 /nfs/dbraw/zinc/87/33/32/539873332.db2.gz FGGFLXHMVBGZBB-IBGZPJMESA-N 1 1 372.490 2.360 50 0 FEAAMO O=C(CCn1cncn1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000039355046 540001439 /nfs/dbraw/zinc/00/14/39/540001439.db2.gz OPBFUEDGQBYXBI-HXUWFJFHSA-N 1 1 371.460 2.322 50 0 FEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1sccc1-n1cnnn1 ZINC000040093077 540006166 /nfs/dbraw/zinc/00/61/66/540006166.db2.gz XHBYRWDNTTWSEA-AWEZNQCLSA-N 1 1 372.454 2.274 50 0 FEAAMO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000040120464 540006764 /nfs/dbraw/zinc/00/67/64/540006764.db2.gz JKTFXPCNNSOSRE-QGZVFWFLSA-N 1 1 359.514 2.361 50 0 FEAAMO C[NH+]1CCN(CCCCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000041349701 540018179 /nfs/dbraw/zinc/01/81/79/540018179.db2.gz CMLNSFZUDUZQJQ-UHFFFAOYSA-N 1 1 372.282 2.346 50 0 FEAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)[C@@H]3CCCO3)n2)cc1 ZINC000044213740 540120492 /nfs/dbraw/zinc/12/04/92/540120492.db2.gz RIUIFEVNKFUOEN-INIZCTEOSA-N 1 1 371.441 2.244 50 0 FEAAMO O=C(Cn1nccn1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000299772936 223088540 /nfs/dbraw/zinc/08/85/40/223088540.db2.gz DECYGNDLLCMRJF-HXUWFJFHSA-N 1 1 353.470 2.183 50 0 FEAAMO Cc1cc(C)n(CCC[N@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)n1 ZINC000299778015 223091994 /nfs/dbraw/zinc/09/19/94/223091994.db2.gz PWXBZZRPMMELCJ-UHFFFAOYSA-N 1 1 370.501 2.019 50 0 FEAAMO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000060099624 540867969 /nfs/dbraw/zinc/86/79/69/540867969.db2.gz XYZSSWUCECGQIJ-OAHLLOKOSA-N 1 1 374.510 2.369 50 0 FEAAMO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000060099624 540867974 /nfs/dbraw/zinc/86/79/74/540867974.db2.gz XYZSSWUCECGQIJ-OAHLLOKOSA-N 1 1 374.510 2.369 50 0 FEAAMO CCc1nnc(-c2nnc(NCCC[NH+]3CCOCC3)c3ccccc32)o1 ZINC000065258163 541230506 /nfs/dbraw/zinc/23/05/06/541230506.db2.gz HYHAFYLRLKRUCG-UHFFFAOYSA-N 1 1 368.441 2.376 50 0 FEAAMO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012475633 220000195 /nfs/dbraw/zinc/00/01/95/220000195.db2.gz WLPUSIVXMXOUBR-OAHLLOKOSA-N 1 1 351.520 2.068 50 0 FEAAMO COc1cccc([C@H]2CN(C(=O)c3cc(C)[nH]n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072152891 541790758 /nfs/dbraw/zinc/79/07/58/541790758.db2.gz PCXHBBHSMWBVPG-MISYRCLQSA-N 1 1 366.465 2.429 50 0 FEAAMO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000072157800 541791488 /nfs/dbraw/zinc/79/14/88/541791488.db2.gz YRGKBKHWEFUDJM-UHFFFAOYSA-N 1 1 367.453 2.018 50 0 FEAAMO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000072157800 541791490 /nfs/dbraw/zinc/79/14/90/541791490.db2.gz YRGKBKHWEFUDJM-UHFFFAOYSA-N 1 1 367.453 2.018 50 0 FEAAMO CN(CCOc1ccccc1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000072284187 541797503 /nfs/dbraw/zinc/79/75/03/541797503.db2.gz SFJAJXMJFHAARD-NRFANRHFSA-N 1 1 354.450 2.161 50 0 FEAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cn1 ZINC000072403274 541804675 /nfs/dbraw/zinc/80/46/75/541804675.db2.gz HLYPZPOBKYRSIU-UHFFFAOYSA-N 1 1 370.434 2.378 50 0 FEAAMO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000072408531 541806267 /nfs/dbraw/zinc/80/62/67/541806267.db2.gz OKLLSOCARDLRRB-IBGZPJMESA-N 1 1 360.498 2.327 50 0 FEAAMO Cc1nc2c(c(NCCn3cccn3)n1)CC[N@@H+](Cc1ccoc1)CC2 ZINC000072408829 541806310 /nfs/dbraw/zinc/80/63/10/541806310.db2.gz HCESDKIUOMFREP-UHFFFAOYSA-N 1 1 352.442 2.287 50 0 FEAAMO Cc1ccc(O)c(C(=O)N2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000072418160 541808065 /nfs/dbraw/zinc/80/80/65/541808065.db2.gz GBGNLRBPLCXJPQ-LJQANCHMSA-N 1 1 368.477 2.452 50 0 FEAAMO Cc1ccc(O)c(C(=O)N2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000072418160 541808069 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359.474 2.097 50 0 FEAAMO CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3ccc(OC)cc3[nH]2)C1 ZINC000426485992 559735464 /nfs/dbraw/zinc/73/54/64/559735464.db2.gz DPYATMRDLQIHOG-AWEZNQCLSA-N 1 1 359.474 2.097 50 0 FEAAMO CC[N@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3ccc(OC)cc3[nH]2)C1 ZINC000426485992 559735465 /nfs/dbraw/zinc/73/54/65/559735465.db2.gz DPYATMRDLQIHOG-AWEZNQCLSA-N 1 1 359.474 2.097 50 0 FEAAMO [NH3+]CCOc1ccc(F)cc1C(=O)NC1CCN(Cc2ccco2)CC1 ZINC000426551758 559737659 /nfs/dbraw/zinc/73/76/59/559737659.db2.gz GMNUGZFMHPTBKW-UHFFFAOYSA-N 1 1 361.417 2.151 50 0 FEAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3ccccc3Cn3cccn3)C2)n1 ZINC000426578886 559738190 /nfs/dbraw/zinc/73/81/90/559738190.db2.gz WXXBKMLRYJOTKN-FQEVSTJZSA-N 1 1 365.481 2.500 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000426593715 559738445 /nfs/dbraw/zinc/73/84/45/559738445.db2.gz LOJKRVPPLAYWAA-KRWDZBQOSA-N 1 1 374.533 2.378 50 0 FEAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCC(=O)NC4CC4)C3)C2=O)c1 ZINC000426661247 559739743 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CC[C@@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)[NH+]1CCN(C)CC1 ZINC000534662709 562539537 /nfs/dbraw/zinc/53/95/37/562539537.db2.gz JGJYMVMUAZVNGC-IBGZPJMESA-N 1 1 374.529 2.307 50 0 FEAAMO Cc1ncc(C(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000216016784 568100953 /nfs/dbraw/zinc/10/09/53/568100953.db2.gz KWVOGTZPSYNSAR-MRXNPFEDSA-N 1 1 367.497 2.208 50 0 FEAAMO CSCC[NH+]1CCN(C(=O)NCc2cccc(-n3cccn3)c2)CC1 ZINC000426435332 570605257 /nfs/dbraw/zinc/60/52/57/570605257.db2.gz GZXNRAYOTMUHEF-UHFFFAOYSA-N 1 1 359.499 2.063 50 0 FEAAMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000329831026 570626096 /nfs/dbraw/zinc/62/60/96/570626096.db2.gz JYSVLBPGFWJRCY-OAHLLOKOSA-N 1 1 351.447 2.479 50 0 FEAAMO C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1 ZINC000047028193 570878753 /nfs/dbraw/zinc/87/87/53/570878753.db2.gz AYIKTQMDPWQHCC-OAHLLOKOSA-N 1 1 374.464 2.374 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cnn3c2nc(C)cc3C)ccn1 ZINC000047287249 570884360 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CN(C)C(=O)c1cc2c(s1)CCN(C(=O)CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000095380294 542965029 /nfs/dbraw/zinc/96/50/29/542965029.db2.gz FVLYHVSMUVNKJK-AWEZNQCLSA-N 1 1 363.527 2.457 50 0 FEAAMO Cc1cccc([C@@H](C(=O)NCCCc2nnc3ccccn32)[NH+](C)C)c1 ZINC000095389212 542966868 /nfs/dbraw/zinc/96/68/68/542966868.db2.gz LQQQXUMRMOROEZ-IBGZPJMESA-N 1 1 351.454 2.389 50 0 FEAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1F)C2 ZINC000095390110 542967982 /nfs/dbraw/zinc/96/79/82/542967982.db2.gz OFZKUOARHKASAF-HZPDHXFCSA-N 1 1 361.461 2.278 50 0 FEAAMO O[C@H]1CN(c2nc(-c3ccccc3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC000095517003 542978220 /nfs/dbraw/zinc/97/82/20/542978220.db2.gz WYIXTENBERBBMT-GOSISDBHSA-N 1 1 350.422 2.420 50 0 FEAAMO OC[C@@]12C[N@H+](Cc3nnc(-c4cccnc4)o3)C[C@@H]1c1ccccc1OC2 ZINC000096138107 222041690 /nfs/dbraw/zinc/04/16/90/222041690.db2.gz UKBXVSGOZDHVSC-OXQOHEQNSA-N 1 1 364.405 2.102 50 0 FEAAMO OC[C@@]12C[N@@H+](Cc3nnc(-c4cccnc4)o3)C[C@@H]1c1ccccc1OC2 ZINC000096138107 222041695 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FEAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C2)cc1OC ZINC000098211977 222231267 /nfs/dbraw/zinc/23/12/67/222231267.db2.gz ZLUSCFBSRCCSQB-OAHLLOKOSA-N 1 1 359.426 2.313 50 0 FEAAMO O=c1occ(CN2CCOCC2)c([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101374167 222271708 /nfs/dbraw/zinc/27/17/08/222271708.db2.gz PFZZWVAPKAYSFN-QGZVFWFLSA-N 1 1 370.449 2.167 50 0 FEAAMO O=c1c(CN2CCOCC2)coc([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101374167 222271711 /nfs/dbraw/zinc/27/17/11/222271711.db2.gz PFZZWVAPKAYSFN-QGZVFWFLSA-N 1 1 370.449 2.167 50 0 FEAAMO O=c1c(CN2CCOCC2)coc([O-])c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101374167 222271713 /nfs/dbraw/zinc/27/17/13/222271713.db2.gz PFZZWVAPKAYSFN-QGZVFWFLSA-N 1 1 370.449 2.167 50 0 FEAAMO COc1cccc(C[N@H+]2CCc3nc(N)nc(N4CC=CC4)c3CC2)c1 ZINC000101779672 222283196 /nfs/dbraw/zinc/28/31/96/222283196.db2.gz GAKKRWIZYSOMQI-UHFFFAOYSA-N 1 1 351.454 2.044 50 0 FEAAMO Cc1ccc(OCC(=O)N2CCC(C[N@@H+]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000107286131 222393000 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CCOc1ccc(C[N@H+]2CCN(Cc3ccc(CO)o3)C[C@@H]2CCO)cc1 ZINC000020324978 520976636 /nfs/dbraw/zinc/97/66/36/520976636.db2.gz MGTXXKGGNXJZBX-SFHVURJKSA-N 1 1 374.481 2.239 50 0 FEAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082146757 523574872 /nfs/dbraw/zinc/57/48/72/523574872.db2.gz VFYRONHALHBABY-LJQANCHMSA-N 1 1 370.497 2.216 50 0 FEAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082146757 523574876 /nfs/dbraw/zinc/57/48/76/523574876.db2.gz VFYRONHALHBABY-LJQANCHMSA-N 1 1 370.497 2.216 50 0 FEAAMO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCCn3ccnc3)C2)C1=O ZINC000091619958 523859550 /nfs/dbraw/zinc/85/95/50/523859550.db2.gz QEKPKXIAOWSCMS-OAQYLSRUSA-N 1 1 368.481 2.406 50 0 FEAAMO Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1C ZINC000091664733 524264258 /nfs/dbraw/zinc/26/42/58/524264258.db2.gz MWPYIGNNTVSURT-FGZHOGPDSA-N 1 1 360.542 2.356 50 0 FEAAMO Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1C ZINC000091664733 524264265 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COc1ccccc1OCc1cc(C(=O)N2CCC[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000071761572 221367998 /nfs/dbraw/zinc/36/79/98/221367998.db2.gz GEMPPWJYXWMLIR-AWEZNQCLSA-N 1 1 358.442 2.164 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2CCC[N@H+](C)C[C@@H]2C)[nH]n1 ZINC000071761572 221368002 /nfs/dbraw/zinc/36/80/02/221368002.db2.gz GEMPPWJYXWMLIR-AWEZNQCLSA-N 1 1 358.442 2.164 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2CCC[N@@H+](C)C[C@@H]2C)[nH]n1 ZINC000071761572 221368005 /nfs/dbraw/zinc/36/80/05/221368005.db2.gz GEMPPWJYXWMLIR-AWEZNQCLSA-N 1 1 358.442 2.164 50 0 FEAAMO Cn1ncc2c1nc(C(C)(C)C)nc2NCCC[N@H+]1CCC[C@H](CO)C1 ZINC000072163670 221440437 /nfs/dbraw/zinc/44/04/37/221440437.db2.gz UUVUVACJSVLASE-AWEZNQCLSA-N 1 1 360.506 2.167 50 0 FEAAMO Cc1csc2c1ncnc2N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091689915 132202960 /nfs/dbraw/zinc/20/29/60/132202960.db2.gz KZCSBUUOPKWFQV-SFHVURJKSA-N 1 1 359.499 2.133 50 0 FEAAMO CCN1CCC[C@@H]1C[NH2+]C1CCN(c2cc(C)nc(N3CCCC3)n2)CC1 ZINC000095363705 132208049 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Cc1ccc(OCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056997146 136127937 /nfs/dbraw/zinc/12/79/37/136127937.db2.gz GDTNSCNVWMPGNJ-UHFFFAOYSA-N 1 1 353.466 2.312 50 0 FEAAMO COc1ccc(-c2cc3c(N4CC[NH+](C)CC4)nccn3n2)cc1OC ZINC000067285311 136137160 /nfs/dbraw/zinc/13/71/60/136137160.db2.gz XPMFHXLUOJLKOM-UHFFFAOYSA-N 1 1 353.426 2.165 50 0 FEAAMO O=C(NCCCn1nnc2ccccc21)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095372621 542962892 /nfs/dbraw/zinc/96/28/92/542962892.db2.gz BWRLKPLVOZISDJ-LJQANCHMSA-N 1 1 364.453 2.170 50 0 FEAAMO Cc1cc(C)nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071754489 136140377 /nfs/dbraw/zinc/14/03/77/136140377.db2.gz AGWRVDQRYOWNNZ-GOSISDBHSA-N 1 1 371.529 2.397 50 0 FEAAMO O[C@@H]1CCC[N@H+](C2CCN(c3nccc(CCC(F)(F)F)n3)CC2)C1 ZINC000071758980 136140570 /nfs/dbraw/zinc/14/05/70/136140570.db2.gz WRXHFNYCALLBFO-OAHLLOKOSA-N 1 1 358.408 2.397 50 0 FEAAMO O=C(Nc1ccccc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072117797 136141898 /nfs/dbraw/zinc/14/18/98/136141898.db2.gz 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CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095359827 542959492 /nfs/dbraw/zinc/95/94/92/542959492.db2.gz QFSGUSONNUVYSB-HNNXBMFYSA-N 1 1 358.442 2.072 50 0 FEAAMO Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cs1 ZINC000095357172 542959553 /nfs/dbraw/zinc/95/95/53/542959553.db2.gz SYOPCRJRSGTCAG-DOTOQJQBSA-N 1 1 371.510 2.176 50 0 FEAAMO CCCn1ccnc1C[N@@H+]1C[C@@H]2c3ccc(OC)cc3OC[C@]2(CO)C1 ZINC000095383521 542966121 /nfs/dbraw/zinc/96/61/21/542966121.db2.gz QCIWZAJFPJPDNE-YLJYHZDGSA-N 1 1 357.454 2.272 50 0 FEAAMO CCCn1ccnc1C[N@H+]1C[C@@H]2c3ccc(OC)cc3OC[C@]2(CO)C1 ZINC000095383521 542966124 /nfs/dbraw/zinc/96/61/24/542966124.db2.gz QCIWZAJFPJPDNE-YLJYHZDGSA-N 1 1 357.454 2.272 50 0 FEAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000095392419 542967915 /nfs/dbraw/zinc/96/79/15/542967915.db2.gz NWKFHZHJFUCJJQ-INIZCTEOSA-N 1 1 350.894 2.254 50 0 FEAAMO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095405503 542969211 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C[C@H](OCC(F)(F)F)C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000106077281 222382549 /nfs/dbraw/zinc/38/25/49/222382549.db2.gz NSYBLNQPKDYRCU-HOCLYGCPSA-N 1 1 373.419 2.059 50 0 FEAAMO Cc1c2cc(F)ccc2[nH]c1CN1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107406689 222394067 /nfs/dbraw/zinc/39/40/67/222394067.db2.gz BEPZTVGDAAATRC-HXUWFJFHSA-N 1 1 358.461 2.402 50 0 FEAAMO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC[N@H+]1C[C@H](C)O ZINC000107510241 222395482 /nfs/dbraw/zinc/39/54/82/222395482.db2.gz WPLPWEWYSRKVMJ-SWLSCSKDSA-N 1 1 366.437 2.093 50 0 FEAAMO O=c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)nc2ccc(Cl)cn12 ZINC000152512302 544663235 /nfs/dbraw/zinc/66/32/35/544663235.db2.gz AZFFAJZMDDLWST-MRXNPFEDSA-N 1 1 356.813 2.396 50 0 FEAAMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000004061088 263331126 /nfs/dbraw/zinc/33/11/26/263331126.db2.gz ZPLMXWQEGZCBRV-LIRRHRJNSA-N 1 1 369.465 2.469 50 0 biogenic FEAAMO CC[N@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011979565 263369552 /nfs/dbraw/zinc/36/95/52/263369552.db2.gz CVDHNGPJDISELL-AWEZNQCLSA-N 1 1 373.453 2.161 50 0 FEAAMO CC[N@@H+]1CCc2c(C(=O)N(C)[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 ZINC000011979565 263369553 /nfs/dbraw/zinc/36/95/53/263369553.db2.gz CVDHNGPJDISELL-AWEZNQCLSA-N 1 1 373.453 2.161 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388719 /nfs/dbraw/zinc/38/87/19/263388719.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 1 1 359.514 2.124 50 0 FEAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3C(=O)NCC[C@H]3C)cc2)C1 ZINC000193781846 328395064 /nfs/dbraw/zinc/39/50/64/328395064.db2.gz LPNMDWJLJJQHOW-GPMSIDNRSA-N 1 1 372.513 2.242 50 0 FEAAMO Cc1cc2nc(CCC(=O)NCC[N@H+]3CCCC[C@H]3CO)[nH]c2cc1C ZINC000299769083 534132727 /nfs/dbraw/zinc/13/27/27/534132727.db2.gz IYGCWXSAJVLQPI-INIZCTEOSA-N 1 1 358.486 2.075 50 0 FEAAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cn4cccnc4n3)C[C@H]21 ZINC000248622217 518837643 /nfs/dbraw/zinc/83/76/43/518837643.db2.gz 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Cc1n[nH]c(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)c1C ZINC000091665167 525474061 /nfs/dbraw/zinc/47/40/61/525474061.db2.gz TYIXZJZFZXTBPU-RBUKOAKNSA-N 1 1 367.497 2.477 50 0 FEAAMO C[C@H](c1ccc(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)o1)N1CCCCC1 ZINC000082134877 526042980 /nfs/dbraw/zinc/04/29/80/526042980.db2.gz JCNLEGBNNGFWTH-OAHLLOKOSA-N 1 1 371.485 2.446 50 0 FEAAMO COc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000019794750 526234604 /nfs/dbraw/zinc/23/46/04/526234604.db2.gz NJSYPQZJKAUFJO-KRWDZBQOSA-N 1 1 372.465 2.266 50 0 FEAAMO O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091460669 526699960 /nfs/dbraw/zinc/69/99/60/526699960.db2.gz RVAJKWGHOPUPJH-WIYYLYMNSA-N 1 1 369.509 2.470 50 0 FEAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)c3cccc(C)c3)cc2C1 ZINC000299792623 528488787 /nfs/dbraw/zinc/48/87/87/528488787.db2.gz GINVPEDEXOXBSJ-UHFFFAOYSA-N 1 1 362.499 2.286 50 0 FEAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](CCOC)C2)CC1 ZINC000097660555 535942808 /nfs/dbraw/zinc/94/28/08/535942808.db2.gz MJVBOYSAIVWRMP-LJQANCHMSA-N 1 1 359.514 2.256 50 0 FEAAMO CCc1cnc(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071763336 536019358 /nfs/dbraw/zinc/01/93/58/536019358.db2.gz BTZPNRNXLQJPDQ-QGZVFWFLSA-N 1 1 371.529 2.307 50 0 FEAAMO COc1ccc(C)cc1NC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000075162045 536812768 /nfs/dbraw/zinc/81/27/68/536812768.db2.gz BONIWESYYKSFCL-UHFFFAOYSA-N 1 1 356.430 2.189 50 0 FEAAMO Cc1cscc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000161795356 546133961 /nfs/dbraw/zinc/13/39/61/546133961.db2.gz IDFPXSXMXKCWBY-UHFFFAOYSA-N 1 1 364.858 2.392 50 0 FEAAMO CCC[C@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)CC[N@H+]1CCOC ZINC000186277082 548111584 /nfs/dbraw/zinc/11/15/84/548111584.db2.gz UEQQDGPXYNNXGC-HNNXBMFYSA-N 1 1 360.506 2.359 50 0 FEAAMO COCc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)n1 ZINC000215523677 548671356 /nfs/dbraw/zinc/67/13/56/548671356.db2.gz SXJVGJUOUULIAI-UHFFFAOYSA-N 1 1 361.486 2.383 50 0 FEAAMO Cn1cnnc1SCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000215348683 548671374 /nfs/dbraw/zinc/67/13/74/548671374.db2.gz CRVREFXOTFXAMF-INIZCTEOSA-N 1 1 359.499 2.078 50 0 FEAAMO Cn1cnnc1SCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000215348683 548671380 /nfs/dbraw/zinc/67/13/80/548671380.db2.gz CRVREFXOTFXAMF-INIZCTEOSA-N 1 1 359.499 2.078 50 0 FEAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000219715280 548696223 /nfs/dbraw/zinc/69/62/23/548696223.db2.gz HWGYKOJRCBNAFG-GNAXCBTBSA-N 1 1 372.444 2.063 50 0 FEAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000219715280 548696224 /nfs/dbraw/zinc/69/62/24/548696224.db2.gz HWGYKOJRCBNAFG-GNAXCBTBSA-N 1 1 372.444 2.063 50 0 FEAAMO C[NH+](C)[C@H](C(=O)NCCc1noc(C2CCC2)n1)c1ccc2c(c1)OCO2 ZINC000220297047 548699594 /nfs/dbraw/zinc/69/95/94/548699594.db2.gz RVUXRMQMGIECHY-KRWDZBQOSA-N 1 1 372.425 2.027 50 0 FEAAMO CSCC[C@H](NC(C)=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000222279438 548706736 /nfs/dbraw/zinc/70/67/36/548706736.db2.gz CUUCLVMPJINBIH-KRWDZBQOSA-N 1 1 360.483 2.055 50 0 FEAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CN1CCC(c2ccccc2)CC1 ZINC000223185263 548717419 /nfs/dbraw/zinc/71/74/19/548717419.db2.gz UIKOLJURXGKGEL-PMACEKPBSA-N 1 1 359.514 2.090 50 0 FEAAMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccccc1S(=O)(=O)C(F)F ZINC000225567297 548738111 /nfs/dbraw/zinc/73/81/11/548738111.db2.gz MSRCFBWIHAYUBM-UHFFFAOYSA-N 1 1 369.393 2.187 50 0 FEAAMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(F)cc2)C[C@@H](C)O1 ZINC000227812877 548751555 /nfs/dbraw/zinc/75/15/55/548751555.db2.gz NXRKTRXVHNBHFY-ZAWLATJESA-N 1 1 366.477 2.139 50 0 FEAAMO Cc1ccccc1CCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000243892422 548888699 /nfs/dbraw/zinc/88/86/99/548888699.db2.gz AIBQLNLFGIXEOI-WOJBJXKFSA-N 1 1 353.466 2.074 50 0 FEAAMO Cc1ccccc1CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000243892422 548888704 /nfs/dbraw/zinc/88/87/04/548888704.db2.gz AIBQLNLFGIXEOI-WOJBJXKFSA-N 1 1 353.466 2.074 50 0 FEAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000244734929 548893618 /nfs/dbraw/zinc/89/36/18/548893618.db2.gz NOCMUVXJISSNEA-AWEZNQCLSA-N 1 1 367.453 2.451 50 0 FEAAMO NC(=O)C[C@@H](c1cccc(O)c1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253400318 549686486 /nfs/dbraw/zinc/68/64/86/549686486.db2.gz DVNNTOHPXWSJNT-INIZCTEOSA-N 1 1 372.421 2.044 50 0 FEAAMO CC(C)(C)C(=O)NCc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000253425196 549688119 /nfs/dbraw/zinc/68/81/19/549688119.db2.gz QOLQKAXDOIHWMC-HDICACEKSA-N 1 1 374.481 2.369 50 0 FEAAMO CC(=O)N1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2cccnc2)CC1 ZINC000257190602 549714315 /nfs/dbraw/zinc/71/43/15/549714315.db2.gz NBNYJDVMKQRDRM-IBGZPJMESA-N 1 1 353.470 2.484 50 0 FEAAMO CC(=O)N1CCC([C@H]2c3nccn3CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000257190602 549714318 /nfs/dbraw/zinc/71/43/18/549714318.db2.gz NBNYJDVMKQRDRM-IBGZPJMESA-N 1 1 353.470 2.484 50 0 FEAAMO CCn1cc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)nn3)CC2)cn1 ZINC000271039643 550334258 /nfs/dbraw/zinc/33/42/58/550334258.db2.gz FKFLZSNNCBYKDE-UHFFFAOYSA-N 1 1 354.380 2.424 50 0 FEAAMO COc1cc2c(cc1OC)CCN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CC2 ZINC000329436926 553946571 /nfs/dbraw/zinc/94/65/71/553946571.db2.gz ABKJLKUWDNKMPJ-QGZVFWFLSA-N 1 1 369.465 2.399 50 0 FEAAMO Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)CCO2)no1 ZINC000329568817 553968954 /nfs/dbraw/zinc/96/89/54/553968954.db2.gz UEBHKWSEXKQXJU-ROUUACIJSA-N 1 1 370.453 2.333 50 0 FEAAMO COc1ccc2oc(C[N@@H+]3CCCN(S(=O)(=O)C4CC4)CC3)cc2c1 ZINC000376587955 558194461 /nfs/dbraw/zinc/19/44/61/558194461.db2.gz AKMVKUSPJZILCY-UHFFFAOYSA-N 1 1 364.467 2.441 50 0 FEAAMO COc1ccc2oc(C[N@H+]3CCCN(S(=O)(=O)C4CC4)CC3)cc2c1 ZINC000376587955 558194463 /nfs/dbraw/zinc/19/44/63/558194463.db2.gz AKMVKUSPJZILCY-UHFFFAOYSA-N 1 1 364.467 2.441 50 0 FEAAMO O=C(C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000408512904 558685509 /nfs/dbraw/zinc/68/55/09/558685509.db2.gz HLGPVISOPBLBAZ-CKYFFXLPSA-N 1 1 362.314 2.175 50 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Cc1nc2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2nc1C ZINC000040012967 540003864 /nfs/dbraw/zinc/00/38/64/540003864.db2.gz AWJFUIYTKZYMJD-KRWDZBQOSA-N 1 1 356.470 2.333 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 ZINC000040287847 540009244 /nfs/dbraw/zinc/00/92/44/540009244.db2.gz ROUFOXRSWAYJOC-NSHDSACASA-N 1 1 370.331 2.051 50 0 FEAAMO COc1ccc(CC[NH+]2CCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000058190816 540832307 /nfs/dbraw/zinc/83/23/07/540832307.db2.gz JVIHPIOTQDUDGW-MRXNPFEDSA-N 1 1 372.469 2.179 50 0 FEAAMO Cc1c[nH]c(C[N@@H+](C)CCNc2cc([C@@H]3CCOC3)ncn2)c(C)c1=O ZINC000299764980 223086541 /nfs/dbraw/zinc/08/65/41/223086541.db2.gz WULJIUUETSVHJM-OAHLLOKOSA-N 1 1 357.458 2.242 50 0 FEAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1snnc1-c1ccccc1 ZINC000299788249 223097531 /nfs/dbraw/zinc/09/75/31/223097531.db2.gz TURIKZJXNGGYGY-KBPBESRZSA-N 1 1 361.471 2.434 50 0 FEAAMO O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000072122586 541784540 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/nfs/dbraw/zinc/81/94/88/541819488.db2.gz BMSRNZXCISSBII-GOSISDBHSA-N 1 1 371.481 2.188 50 0 FEAAMO Cc1nc2c(c(N(C)Cc3[nH]nc4c3CCCCC4)n1)CC[N@@H+](C)CC2 ZINC000072475101 541819581 /nfs/dbraw/zinc/81/95/81/541819581.db2.gz NHDQVKZFXOAFBC-UHFFFAOYSA-N 1 1 354.502 2.444 50 0 FEAAMO Cc1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CC[N@H+](C)CC2 ZINC000072475101 541819583 /nfs/dbraw/zinc/81/95/83/541819583.db2.gz NHDQVKZFXOAFBC-UHFFFAOYSA-N 1 1 354.502 2.444 50 0 FEAAMO Cc1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CC[N@@H+](C)CC2 ZINC000072475101 541819584 /nfs/dbraw/zinc/81/95/84/541819584.db2.gz NHDQVKZFXOAFBC-UHFFFAOYSA-N 1 1 354.502 2.444 50 0 FEAAMO COc1ccc2c(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)coc2c1 ZINC000012872674 220038020 /nfs/dbraw/zinc/03/80/20/220038020.db2.gz OOKNBJZUJHCCDN-KRWDZBQOSA-N 1 1 360.454 2.457 50 0 FEAAMO Cc1csc(C[NH2+]C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)n1 ZINC000015063254 220144889 /nfs/dbraw/zinc/14/48/89/220144889.db2.gz NRLXLLNPMCOVRH-LJQANCHMSA-N 1 1 359.495 2.403 50 0 FEAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000015350776 220152416 /nfs/dbraw/zinc/15/24/16/220152416.db2.gz AMNUZWHSANUOKZ-LBPRGKRZSA-N 1 1 373.906 2.403 50 0 FEAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000015350776 220152418 /nfs/dbraw/zinc/15/24/18/220152418.db2.gz AMNUZWHSANUOKZ-LBPRGKRZSA-N 1 1 373.906 2.403 50 0 FEAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000015523745 220154447 /nfs/dbraw/zinc/15/44/47/220154447.db2.gz KINFNAGDIUBNPA-RDYUPDBUSA-N 1 1 372.469 2.211 50 0 FEAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000015523745 220154450 /nfs/dbraw/zinc/15/44/50/220154450.db2.gz KINFNAGDIUBNPA-RDYUPDBUSA-N 1 1 372.469 2.211 50 0 FEAAMO CCOc1cc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)ccc1O ZINC000019300704 220249769 /nfs/dbraw/zinc/24/97/69/220249769.db2.gz OBHYLHURCIYXEY-MRXNPFEDSA-N 1 1 358.442 2.292 50 0 FEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)ccc1O ZINC000019300704 220249773 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COCC[N@@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)C(C)C ZINC000020919803 220345918 /nfs/dbraw/zinc/34/59/18/220345918.db2.gz XQVDELXWUMVJFD-UHFFFAOYSA-N 1 1 350.488 2.489 50 0 FEAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)c(OC)c1 ZINC000021103335 220350404 /nfs/dbraw/zinc/35/04/04/220350404.db2.gz UWQYNPXFDNGIRP-UHFFFAOYSA-N 1 1 372.425 2.377 50 0 FEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc32)C[C@@H](C)O1 ZINC000021057196 220350511 /nfs/dbraw/zinc/35/05/11/220350511.db2.gz CMAQTJUHSAJARI-ZIAGYGMSSA-N 1 1 357.454 2.146 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)c1 ZINC000022504292 220388755 /nfs/dbraw/zinc/38/87/55/220388755.db2.gz HNUJXSHPOHUOJB-UHFFFAOYSA-N 1 1 362.433 2.190 50 0 FEAAMO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000022800361 220399273 /nfs/dbraw/zinc/39/92/73/220399273.db2.gz HYPHHCXMCYBTHW-UHFFFAOYSA-N 1 1 370.497 2.262 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)CNC(=O)Cc1ccccc1)c1ccccc1Cl ZINC000027347966 220532432 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CCn1cnnc1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058343897 221114502 /nfs/dbraw/zinc/11/45/02/221114502.db2.gz DVWKREAYVFZHPZ-QGZVFWFLSA-N 1 1 356.474 2.009 50 0 FEAAMO COCC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000063871042 221144988 /nfs/dbraw/zinc/14/49/88/221144988.db2.gz RCJMWUVXKMNYNH-UHFFFAOYSA-N 1 1 368.485 2.325 50 0 FEAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3cccs3)[nH+]c(C)n2)n1 ZINC000065365179 221203442 /nfs/dbraw/zinc/20/34/42/221203442.db2.gz QCDNDDIXIUXENO-UHFFFAOYSA-N 1 1 356.455 2.491 50 0 FEAAMO Cc1cccc([C@@H](C(=O)NCc2nc3ccccc3c(=O)[nH]2)[NH+](C)C)c1 ZINC000065380705 221206311 /nfs/dbraw/zinc/20/63/11/221206311.db2.gz LAIGDRIUHLXAEL-SFHVURJKSA-N 1 1 350.422 2.151 50 0 FEAAMO COC(=O)c1ccc(NC(=O)CCN2CC([N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000065396251 221210552 /nfs/dbraw/zinc/21/05/52/221210552.db2.gz MFEXMKBVBAHRPE-OAHLLOKOSA-N 1 1 359.470 2.360 50 0 FEAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ncc(C)s3)c2)C1 ZINC000065397634 221211806 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Cc1ccnc(-n2cccc2CN2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067817947 221290149 /nfs/dbraw/zinc/29/01/49/221290149.db2.gz OVZUEJNMZKYTJA-UHFFFAOYSA-N 1 1 353.514 2.393 50 0 FEAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1)N1CCCC1 ZINC000071738574 221357048 /nfs/dbraw/zinc/35/70/48/221357048.db2.gz UCLIGXNAVPHRKF-INIZCTEOSA-N 1 1 362.543 2.442 50 0 FEAAMO CC(C)C[N@H+](C)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000071749056 221361300 /nfs/dbraw/zinc/36/13/00/221361300.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 1 1 363.531 2.261 50 0 FEAAMO CC(C)C[N@@H+](C)Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000071749056 221361303 /nfs/dbraw/zinc/36/13/03/221361303.db2.gz DBBWKLKHKVGRRH-UHFFFAOYSA-N 1 1 363.531 2.261 50 0 FEAAMO O=S(=O)(NCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071751600 221361880 /nfs/dbraw/zinc/36/18/80/221361880.db2.gz LBXMXDVKDDUZFF-LJQANCHMSA-N 1 1 359.495 2.275 50 0 FEAAMO C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2O3)CC1 ZINC000079495595 542521888 /nfs/dbraw/zinc/52/18/88/542521888.db2.gz 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Cc1ccc(CSc2nc(N3CCO[C@@H](CCO)C3)cc(N)[nH+]2)cc1 ZINC000095386204 132210153 /nfs/dbraw/zinc/21/01/53/132210153.db2.gz LLZZPQGVHXVOFQ-HNNXBMFYSA-N 1 1 360.483 2.247 50 0 FEAAMO Cc1ccc(CSc2nc(N)cc(N3CCO[C@@H](CCO)C3)[nH+]2)cc1 ZINC000095386204 132210154 /nfs/dbraw/zinc/21/01/54/132210154.db2.gz LLZZPQGVHXVOFQ-HNNXBMFYSA-N 1 1 360.483 2.247 50 0 FEAAMO Cc1cccnc1C[C@H](C)[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095517748 132213668 /nfs/dbraw/zinc/21/36/68/132213668.db2.gz YKAUDRKWPXHVNC-AWEZNQCLSA-N 1 1 351.458 2.246 50 0 FEAAMO CNc1nc(N2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000106994971 132240885 /nfs/dbraw/zinc/24/08/85/132240885.db2.gz SZIREEQQZZVZLL-INIZCTEOSA-N 1 1 359.518 2.213 50 0 FEAAMO O[C@@H]1CCCN(c2cc[nH+]c(N3CCCN(c4ccccc4)CC3)n2)C1 ZINC000108407347 132243412 /nfs/dbraw/zinc/24/34/12/132243412.db2.gz CDGOKYNRYWOBIV-GOSISDBHSA-N 1 1 353.470 2.154 50 0 FEAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCNC(=O)C3)c2c1C ZINC000008719272 132259839 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CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc(O)c(F)c1)CC2 ZINC000091444962 542807592 /nfs/dbraw/zinc/80/75/92/542807592.db2.gz UMZAKOZQUORCPA-UHFFFAOYSA-N 1 1 372.444 2.193 50 0 FEAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000091493403 542810813 /nfs/dbraw/zinc/81/08/13/542810813.db2.gz YWVUWJZALGKZEG-JKSUJKDBSA-N 1 1 367.440 2.272 50 0 FEAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OC(F)F)cc1)C2 ZINC000091493403 542810816 /nfs/dbraw/zinc/81/08/16/542810816.db2.gz YWVUWJZALGKZEG-JKSUJKDBSA-N 1 1 367.440 2.272 50 0 FEAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OC(F)F)cc1)C2 ZINC000091493403 542810818 /nfs/dbraw/zinc/81/08/18/542810818.db2.gz YWVUWJZALGKZEG-JKSUJKDBSA-N 1 1 367.440 2.272 50 0 FEAAMO CC(=O)N1CC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)C[C@H](O)C1 ZINC000091586091 542814180 /nfs/dbraw/zinc/81/41/80/542814180.db2.gz LDYLMRMXUDVHRZ-NRFANRHFSA-N 1 1 368.477 2.333 50 0 FEAAMO CC(=O)N1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C[C@H](O)C1 ZINC000091586091 542814184 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2.246 50 0 FEAAMO CCC[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000091964583 542834105 /nfs/dbraw/zinc/83/41/05/542834105.db2.gz UBUZBGIBPQLXNN-YJBOKZPZSA-N 1 1 358.486 2.363 50 0 FEAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000092028693 542838811 /nfs/dbraw/zinc/83/88/11/542838811.db2.gz GTBZAVGWFUCPOA-UHFFFAOYSA-N 1 1 369.469 2.220 50 0 FEAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1nc(C)cc1C)CC2 ZINC000092077006 542844046 /nfs/dbraw/zinc/84/40/46/542844046.db2.gz WFJSGNNXGVGJBL-MRXNPFEDSA-N 1 1 370.501 2.180 50 0 FEAAMO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000039406615 136119136 /nfs/dbraw/zinc/11/91/36/136119136.db2.gz YLXFKXYWTUXQLN-KRWDZBQOSA-N 1 1 356.422 2.280 50 0 FEAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cnsn3)C2)CC1 ZINC000055042611 136125777 /nfs/dbraw/zinc/12/57/77/136125777.db2.gz KBQNMEUABYDYAI-INIZCTEOSA-N 1 1 371.510 2.273 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(C)cn1)C2 ZINC000095368479 542961789 /nfs/dbraw/zinc/96/17/89/542961789.db2.gz OCMGUFAXIFLZLA-JKSUJKDBSA-N 1 1 355.442 2.126 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(C)cn1)C2 ZINC000095368479 542961794 /nfs/dbraw/zinc/96/17/94/542961794.db2.gz OCMGUFAXIFLZLA-JKSUJKDBSA-N 1 1 355.442 2.126 50 0 FEAAMO Cc1cccc(O[C@@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)ncn2)c1C ZINC000075166219 136150141 /nfs/dbraw/zinc/15/01/41/136150141.db2.gz TUHGPYRUXWVMJR-INIZCTEOSA-N 1 1 369.469 2.251 50 0 FEAAMO COC(=O)C1CCN(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000026646652 136153232 /nfs/dbraw/zinc/15/32/32/136153232.db2.gz BHYUZPFWYKETSO-UHFFFAOYSA-N 1 1 363.477 2.223 50 0 FEAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000095355034 542957990 /nfs/dbraw/zinc/95/79/90/542957990.db2.gz AKUODXGHXCKFOS-IBGZPJMESA-N 1 1 368.481 2.231 50 0 FEAAMO CCc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000095355296 542958665 /nfs/dbraw/zinc/95/86/65/542958665.db2.gz BPWYSSNFSFFKFT-PKOBYXMFSA-N 1 1 359.514 2.112 50 0 FEAAMO CCc1ccccc1OCCN1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000095355296 542958669 /nfs/dbraw/zinc/95/86/69/542958669.db2.gz BPWYSSNFSFFKFT-PKOBYXMFSA-N 1 1 359.514 2.112 50 0 FEAAMO CCc1ccccc1OCCN1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095355296 542958672 /nfs/dbraw/zinc/95/86/72/542958672.db2.gz BPWYSSNFSFFKFT-PKOBYXMFSA-N 1 1 359.514 2.112 50 0 FEAAMO Cc1cccc([C@H](C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)[NH+](C)C)c1 ZINC000095357203 542959176 /nfs/dbraw/zinc/95/91/76/542959176.db2.gz MXAMBOMXKCUYQV-HXUWFJFHSA-N 1 1 368.481 2.396 50 0 FEAAMO C[N@H+]1CCN(C(=O)CCCCc2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000095358523 542959204 /nfs/dbraw/zinc/95/92/04/542959204.db2.gz MSTDKGHUSHAGAC-OAQYLSRUSA-N 1 1 357.498 2.212 50 0 FEAAMO Cc1ccc(Cl)cc1NC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000095382854 542965298 /nfs/dbraw/zinc/96/52/98/542965298.db2.gz AUTIGSQODWRGNF-GOSISDBHSA-N 1 1 364.877 2.467 50 0 FEAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)[nH]1 ZINC000095386403 542966145 /nfs/dbraw/zinc/96/61/45/542966145.db2.gz NRGCGZUKAPVSJC-FUHWJXTLSA-N 1 1 371.460 2.308 50 0 FEAAMO CCCn1ccnc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095387838 542967600 /nfs/dbraw/zinc/96/76/00/542967600.db2.gz XPZYNQXPQFUKPU-MRXNPFEDSA-N 1 1 368.489 2.046 50 0 FEAAMO CCCn1ccnc1C[N@H+]1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000095387838 542967602 /nfs/dbraw/zinc/96/76/02/542967602.db2.gz XPZYNQXPQFUKPU-MRXNPFEDSA-N 1 1 368.489 2.046 50 0 FEAAMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095416652 542969240 /nfs/dbraw/zinc/96/92/40/542969240.db2.gz JFJVQXPHDLKODV-HZPDHXFCSA-N 1 1 355.404 2.356 50 0 FEAAMO C[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095416652 542969243 /nfs/dbraw/zinc/96/92/43/542969243.db2.gz JFJVQXPHDLKODV-HZPDHXFCSA-N 1 1 355.404 2.356 50 0 FEAAMO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095416652 542969247 /nfs/dbraw/zinc/96/92/47/542969247.db2.gz JFJVQXPHDLKODV-HZPDHXFCSA-N 1 1 355.404 2.356 50 0 FEAAMO CN1CCN([C@H]2CCCC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405707 542969286 /nfs/dbraw/zinc/96/92/86/542969286.db2.gz WRWJJKZWBICWJV-FQEVSTJZSA-N 1 1 362.562 2.022 50 0 FEAAMO Cc1ccccc1C[NH+]1CCC(CN(CC(N)=O)C[C@H]2CCCO2)CC1 ZINC000095510549 542977113 /nfs/dbraw/zinc/97/71/13/542977113.db2.gz FIIMILCFBSIRRV-HXUWFJFHSA-N 1 1 359.514 2.173 50 0 FEAAMO COc1cc2cccnc2c(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)c1 ZINC000095512728 542978192 /nfs/dbraw/zinc/97/81/92/542978192.db2.gz BTHMVRXHXCGHRW-IRXDYDNUSA-N 1 1 358.442 2.473 50 0 FEAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cncn1C1CC1)C2 ZINC000095517019 542978233 /nfs/dbraw/zinc/97/82/33/542978233.db2.gz MINMPIKRMXVJFB-DOTOQJQBSA-N 1 1 369.469 2.446 50 0 FEAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cncn1C1CC1)C2 ZINC000095517019 542978235 /nfs/dbraw/zinc/97/82/35/542978235.db2.gz MINMPIKRMXVJFB-DOTOQJQBSA-N 1 1 369.469 2.446 50 0 FEAAMO 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C[NH+]1CCN(Cc2ccc(C(=O)NCCCc3ccc(O)cc3)o2)CC1 ZINC000097076329 222156076 /nfs/dbraw/zinc/15/60/76/222156076.db2.gz DXEOVFCGGPGWHT-UHFFFAOYSA-N 1 1 357.454 2.095 50 0 FEAAMO Cc1ccc([C@H](C)CC[N@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)o1 ZINC000097527271 222188577 /nfs/dbraw/zinc/18/85/77/222188577.db2.gz DHNHXKUQOPLNAL-MRXNPFEDSA-N 1 1 369.531 2.430 50 0 FEAAMO COc1ccc2c(c1)c(C(=O)NCC[N@H+]1CCCC[C@H]1CO)c(C)n2C ZINC000097570857 222192198 /nfs/dbraw/zinc/19/21/98/222192198.db2.gz PUXILPJFDAPQEZ-HNNXBMFYSA-N 1 1 359.470 2.072 50 0 FEAAMO CCOc1ccc(C(=O)N[C@H](C(=O)N2CCC[N@@H+](C)CC2)C(C)C)cc1 ZINC000097617768 222200090 /nfs/dbraw/zinc/20/00/90/222200090.db2.gz UDGLXEMWERKVAP-SFHVURJKSA-N 1 1 361.486 2.004 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000098211927 222232122 /nfs/dbraw/zinc/23/21/22/222232122.db2.gz RKQNNNLJRQTVHD-OAHLLOKOSA-N 1 1 357.410 2.415 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)C1 ZINC000098211927 222232124 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ZINC000104335954 222355197 /nfs/dbraw/zinc/35/51/97/222355197.db2.gz ZJJKAORPGCBINV-MRXNPFEDSA-N 1 1 356.426 2.193 50 0 FEAAMO Cc1cnccc1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107405216 222393716 /nfs/dbraw/zinc/39/37/16/222393716.db2.gz GUGYLNSOWYKRAJ-OAQYLSRUSA-N 1 1 356.514 2.299 50 0 FEAAMO COc1ccc(C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000004258659 263332121 /nfs/dbraw/zinc/33/21/21/263332121.db2.gz FNVJXEFJVCULEX-UHFFFAOYSA-N 1 1 353.422 2.335 50 0 FEAAMO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000019782431 263376740 /nfs/dbraw/zinc/37/67/40/263376740.db2.gz VYVYKENCBNXUGQ-INIZCTEOSA-N 1 1 368.389 2.236 50 0 FEAAMO O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCC[NH2+]1 ZINC000168556441 327087216 /nfs/dbraw/zinc/08/72/16/327087216.db2.gz SCFSQXPGBIVDOO-MRXNPFEDSA-N 1 1 372.296 2.062 50 0 FEAAMO CC[N@H+]1CCC[C@@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1 ZINC000174235604 327314790 /nfs/dbraw/zinc/31/47/90/327314790.db2.gz YOQRHZVASFVSLN-SNVBAGLBSA-N 1 1 350.410 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/nfs/dbraw/zinc/84/86/47/524848647.db2.gz RNBQGUZWGDJFFM-UHFFFAOYSA-N 1 1 369.465 2.460 50 0 FEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3nc4ccccn4c3F)cc2C1 ZINC000299785189 528487944 /nfs/dbraw/zinc/48/79/44/528487944.db2.gz QRFXTNYNLRUGOC-UHFFFAOYSA-N 1 1 370.432 2.216 50 0 FEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3sc(OC)nc3C)cc2C1 ZINC000299791118 528488842 /nfs/dbraw/zinc/48/88/42/528488842.db2.gz CNPMROKQHOLXIR-UHFFFAOYSA-N 1 1 363.487 2.202 50 0 FEAAMO CCCCc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc1 ZINC000299794497 529024568 /nfs/dbraw/zinc/02/45/68/529024568.db2.gz KLGVDFLCSAPODI-KJWXAFIESA-N 1 1 360.498 2.421 50 0 FEAAMO CCn1c(CNC2CCN(c3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550884 535984772 /nfs/dbraw/zinc/98/47/72/535984772.db2.gz SZRVDDBZGVVXNN-IYBDPMFKSA-N 1 1 354.502 2.261 50 0 FEAAMO CCc1cnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071776439 536057268 /nfs/dbraw/zinc/05/72/68/536057268.db2.gz UGNJBMMYYRFTGI-GOSISDBHSA-N 1 1 371.529 2.342 50 0 FEAAMO CN1CCC([N@@H+]2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)CC1 ZINC000107006149 536339657 /nfs/dbraw/zinc/33/96/57/536339657.db2.gz GIBCYFWFVPMNGA-OAHLLOKOSA-N 1 1 372.435 2.068 50 0 FEAAMO CN1CCC([N@H+]2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)CC1 ZINC000107006149 536339658 /nfs/dbraw/zinc/33/96/58/536339658.db2.gz GIBCYFWFVPMNGA-OAHLLOKOSA-N 1 1 372.435 2.068 50 0 FEAAMO CCN1CC[NH+](Cc2ccc(CN3C(=O)[C@@H]4CCCCN4C3=O)cc2)CC1 ZINC000170592471 546161988 /nfs/dbraw/zinc/16/19/88/546161988.db2.gz XVSPJHCQFOJBFK-IBGZPJMESA-N 1 1 370.497 2.141 50 0 FEAAMO CN(C(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[C@H]1CCC[N@@H+](C)C1 ZINC000173914485 546288478 /nfs/dbraw/zinc/28/84/78/546288478.db2.gz IYWLLHGSGSGQIH-AWEZNQCLSA-N 1 1 357.410 2.279 50 0 FEAAMO Cn1nc(C[N@@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)c2c1cccc2Cl ZINC000215508460 548671036 /nfs/dbraw/zinc/67/10/36/548671036.db2.gz HYMVQHLDESTQJA-GFCCVEGCSA-N 1 1 374.876 2.227 50 0 FEAAMO Cn1nc(C[N@H+]2CCC[C@@H](c3nnc(CO)n3C)C2)c2c1cccc2Cl ZINC000215508460 548671040 /nfs/dbraw/zinc/67/10/40/548671040.db2.gz HYMVQHLDESTQJA-GFCCVEGCSA-N 1 1 374.876 2.227 50 0 FEAAMO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(CCSc1ccccc1)C2 ZINC000219231761 548692688 /nfs/dbraw/zinc/69/26/88/548692688.db2.gz ISXLHVUTCUDNPM-IBGZPJMESA-N 1 1 360.527 2.476 50 0 FEAAMO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000221367909 548705539 /nfs/dbraw/zinc/70/55/39/548705539.db2.gz QNMNHMYZANFBRN-IBGZPJMESA-N 1 1 351.454 2.147 50 0 FEAAMO Cc1[nH+]ccn1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 ZINC000223411877 548719919 /nfs/dbraw/zinc/71/99/19/548719919.db2.gz KYBOVDKFWCTSLS-QKLQHJQFSA-N 1 1 355.438 2.145 50 0 FEAAMO O[C@H](c1ccccn1)C1CC[NH+](Cc2nnc(-c3cccnc3)o2)CC1 ZINC000243932724 548889580 /nfs/dbraw/zinc/88/95/80/548889580.db2.gz BYPADCYKYOZHOY-SFHVURJKSA-N 1 1 351.410 2.472 50 0 FEAAMO C[NH+](C)[C@@H](C(=O)NCCCn1nccc1C1CC1)c1ccc2c(c1)OCO2 ZINC000244773821 548895158 /nfs/dbraw/zinc/89/51/58/548895158.db2.gz PHEOIOFYTBXPGO-LJQANCHMSA-N 1 1 370.453 2.298 50 0 FEAAMO CCSc1nnc(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000244884432 548898165 /nfs/dbraw/zinc/89/81/65/548898165.db2.gz YMLNUHICAMDZJY-LLVKDONJSA-N 1 1 366.516 2.202 50 0 FEAAMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[C@@H]1c1ccccc1 ZINC000247974262 549396711 /nfs/dbraw/zinc/39/67/11/549396711.db2.gz GBXJTYPIMXXRRX-AJNGGQMLSA-N 1 1 369.387 2.005 50 0 FEAAMO CCn1cncc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000333409530 554610387 /nfs/dbraw/zinc/61/03/87/554610387.db2.gz GSOHYFHBYIESAY-INIZCTEOSA-N 1 1 354.520 2.226 50 0 FEAAMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)CCc1nccs1 ZINC000333458124 554615081 /nfs/dbraw/zinc/61/50/81/554615081.db2.gz OYYNSKWJESKNQW-KBXCAEBGSA-N 1 1 361.515 2.351 50 0 FEAAMO O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000426513517 559736512 /nfs/dbraw/zinc/73/65/12/559736512.db2.gz CQOWGSATTMUMIO-SFHVURJKSA-N 1 1 374.872 2.144 50 0 FEAAMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426552362 559737782 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Cc1n[nH]c(SCC[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)n1 ZINC000952991104 681796041 /nfs/dbraw/zinc/79/60/41/681796041.db2.gz OYSGINYSDXRIGQ-INIZCTEOSA-N 1 1 359.499 2.376 50 0 FEAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1CN1CCOCC1 ZINC000299781789 529808082 /nfs/dbraw/zinc/80/80/82/529808082.db2.gz LTOITDAXTABWKY-MSOLQXFVSA-N 1 1 358.486 2.219 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccco1 ZINC000005935031 539419577 /nfs/dbraw/zinc/41/95/77/539419577.db2.gz OGILMPLSGCGNOC-DLBZAZTESA-N 1 1 355.438 2.047 50 0 FEAAMO C[NH+]1CCN(c2ncc3c(ccn(Cc4ccccc4Cl)c3=O)n2)CC1 ZINC000009290363 539500649 /nfs/dbraw/zinc/50/06/49/539500649.db2.gz PEDVLPOJXRZXFO-UHFFFAOYSA-N 1 1 369.856 2.245 50 0 FEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010334571 539515888 /nfs/dbraw/zinc/51/58/88/539515888.db2.gz RHYRAWYKEUBKJD-MRXNPFEDSA-N 1 1 362.451 2.039 50 0 FEAAMO CSCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000011820113 539536576 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FEAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000012305394 539553278 /nfs/dbraw/zinc/55/32/78/539553278.db2.gz UQFUMWUVXUAXPN-INIZCTEOSA-N 1 1 352.438 2.198 50 0 FEAAMO Cc1cc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)on1 ZINC000012386711 539557341 /nfs/dbraw/zinc/55/73/41/539557341.db2.gz UAKCFGFJBGXYTF-LJQANCHMSA-N 1 1 361.417 2.108 50 0 FEAAMO C[N@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)C1CCCCC1 ZINC000012433533 539559326 /nfs/dbraw/zinc/55/93/26/539559326.db2.gz LIWPKGPSTDYLJE-MRXNPFEDSA-N 1 1 355.504 2.230 50 0 FEAAMO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)C1CCCCC1 ZINC000012433533 539559330 /nfs/dbraw/zinc/55/93/30/539559330.db2.gz LIWPKGPSTDYLJE-MRXNPFEDSA-N 1 1 355.504 2.230 50 0 FEAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000012453505 539561069 /nfs/dbraw/zinc/56/10/69/539561069.db2.gz YFBVRPJPJBGSPJ-HNNXBMFYSA-N 1 1 355.442 2.499 50 0 FEAAMO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccn2)no1 ZINC000012453505 539561074 /nfs/dbraw/zinc/56/10/74/539561074.db2.gz YFBVRPJPJBGSPJ-HNNXBMFYSA-N 1 1 355.442 2.499 50 0 FEAAMO COC1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000015073202 539612000 /nfs/dbraw/zinc/61/20/00/539612000.db2.gz IXFIWMOMZIEDPS-QGZVFWFLSA-N 1 1 360.502 2.301 50 0 FEAAMO CC[NH+]1CCN(C(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)CC1 ZINC000015727517 539622405 /nfs/dbraw/zinc/62/24/05/539622405.db2.gz FKNHFRQMGYCALL-UHFFFAOYSA-N 1 1 357.458 2.299 50 0 FEAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](CCO)CC2)c1-c1ccccc1 ZINC000020502226 539675211 /nfs/dbraw/zinc/67/52/11/539675211.db2.gz AMGSSOTZVXYAGB-UHFFFAOYSA-N 1 1 351.454 2.127 50 0 FEAAMO C[C@H](c1nn(CN2CCOCC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000021641763 539686066 /nfs/dbraw/zinc/68/60/66/539686066.db2.gz FJJFXTYDLBKUHJ-CYBMUJFWSA-N 1 1 365.478 2.455 50 0 FEAAMO NC(=O)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000022931860 539703499 /nfs/dbraw/zinc/70/34/99/539703499.db2.gz URCMTAFDJCTDKO-UHFFFAOYSA-N 1 1 351.450 2.038 50 0 FEAAMO NC(=O)c1ccc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000022931860 539703503 /nfs/dbraw/zinc/70/35/03/539703503.db2.gz URCMTAFDJCTDKO-UHFFFAOYSA-N 1 1 351.450 2.038 50 0 FEAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000023359318 539712282 /nfs/dbraw/zinc/71/22/82/539712282.db2.gz XDJJNRZKZAMOID-LJQANCHMSA-N 1 1 357.498 2.392 50 0 FEAAMO c1csc(-c2noc(CCC[NH+]3CCN(c4ncccn4)CC3)n2)c1 ZINC000023700898 539718924 /nfs/dbraw/zinc/71/89/24/539718924.db2.gz ZNYBZURADKLOKP-UHFFFAOYSA-N 1 1 356.455 2.343 50 0 FEAAMO COc1ccc(C)cc1C[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025231483 539751651 /nfs/dbraw/zinc/75/16/51/539751651.db2.gz CETPYVIIBOMENH-MRXNPFEDSA-N 1 1 368.433 2.093 50 0 FEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000025748439 539768332 /nfs/dbraw/zinc/76/83/32/539768332.db2.gz GYRJDCSEFAHZEU-UHFFFAOYSA-N 1 1 369.465 2.293 50 0 FEAAMO COC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000026455880 539787452 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COc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096055 539987196 /nfs/dbraw/zinc/98/71/96/539987196.db2.gz SNPSRDWCJOSWNY-MSOLQXFVSA-N 1 1 367.486 2.471 50 0 FEAAMO O[C@H](COc1ccccc1)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036030980 539985946 /nfs/dbraw/zinc/98/59/46/539985946.db2.gz AZYIUKKGPLVRFK-NRFANRHFSA-N 1 1 370.493 2.261 50 0 FEAAMO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C[C@H](O)COC ZINC000036159372 539988597 /nfs/dbraw/zinc/98/85/97/539988597.db2.gz VUDXWLNYWVYBDJ-LBPRGKRZSA-N 1 1 365.499 2.083 50 0 FEAAMO CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C[C@H](O)COC ZINC000036159372 539988600 /nfs/dbraw/zinc/98/86/00/539988600.db2.gz VUDXWLNYWVYBDJ-LBPRGKRZSA-N 1 1 365.499 2.083 50 0 FEAAMO CCOC(=O)c1sc(NC(=O)C[N@H+](C)CC)c(C(=O)OCC)c1C ZINC000036646093 539991888 /nfs/dbraw/zinc/99/18/88/539991888.db2.gz SGMXOXFRIZYBLP-UHFFFAOYSA-N 1 1 356.444 2.300 50 0 FEAAMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)CC)c(C(=O)OCC)c1C ZINC000036646093 539991891 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2.090 50 0 FEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H](C)OCC(F)(F)F)CC2)c1 ZINC000043034587 540085838 /nfs/dbraw/zinc/08/58/38/540085838.db2.gz FEMLMMCSPBCDIY-OAHLLOKOSA-N 1 1 373.419 2.201 50 0 FEAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000052489217 540468122 /nfs/dbraw/zinc/46/81/22/540468122.db2.gz KZXRZHHXWFPTFL-IBGZPJMESA-N 1 1 358.482 2.495 50 0 FEAAMO O=C(CN1CCCC1)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000299772380 223089623 /nfs/dbraw/zinc/08/96/23/223089623.db2.gz ZZSSLHCDHUYYRK-FQEVSTJZSA-N 1 1 371.525 2.412 50 0 FEAAMO O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1cccn2cnnc12 ZINC000299775072 223090447 /nfs/dbraw/zinc/09/04/47/223090447.db2.gz KWNMCQUOSHJQLR-GOSISDBHSA-N 1 1 363.465 2.414 50 0 FEAAMO COc1ccc2[nH]c(=O)c(C[N@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)cc2c1 ZINC000299790468 223099796 /nfs/dbraw/zinc/09/97/96/223099796.db2.gz BBIIVDGVNWWHOI-ZAAXVRCTSA-N 1 1 358.438 2.453 50 0 FEAAMO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2cccc3[nH]nnc32)CC1 ZINC000299798595 223103006 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50 0 FEAAMO O=S(=O)(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000072173828 541795756 /nfs/dbraw/zinc/79/57/56/541795756.db2.gz HTCNWBFJMYWWED-SFHVURJKSA-N 1 1 351.516 2.014 50 0 FEAAMO COCCCN1C(=O)CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000072407779 541805650 /nfs/dbraw/zinc/80/56/50/541805650.db2.gz QAZNRVJTJKBETN-MAUKXSAKSA-N 1 1 358.442 2.072 50 0 FEAAMO COc1coc(C[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)cc1=O ZINC000072417910 541808496 /nfs/dbraw/zinc/80/84/96/541808496.db2.gz FKIMAUNMCDZDFR-UHFFFAOYSA-N 1 1 370.453 2.418 50 0 FEAAMO COCCN(C)CC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072421866 541808752 /nfs/dbraw/zinc/80/87/52/541808752.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 1 1 373.541 2.469 50 0 FEAAMO CCCc1cc(CNC(=O)c2ccc(N(C)[C@@H]3CC[N@@H+](C)C3)nc2)on1 ZINC000012707073 220019585 /nfs/dbraw/zinc/01/95/85/220019585.db2.gz ZWEHHNVDKLJAOT-MRXNPFEDSA-N 1 1 357.458 2.092 50 0 FEAAMO O=C(CCCN1CCCC1=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012748093 220023689 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COc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000014993019 220140755 /nfs/dbraw/zinc/14/07/55/220140755.db2.gz DJBUHGVQRHANTQ-HNNXBMFYSA-N 1 1 371.485 2.178 50 0 FEAAMO COCCNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000015105697 220148690 /nfs/dbraw/zinc/14/86/90/220148690.db2.gz ZHHUTJYIAATGGJ-KRWDZBQOSA-N 1 1 363.458 2.085 50 0 FEAAMO COCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1OC)C2 ZINC000015067202 220144459 /nfs/dbraw/zinc/14/44/59/220144459.db2.gz VLTOTQFRISVEIL-FQEVSTJZSA-N 1 1 362.470 2.165 50 0 FEAAMO CCC[NH+]1CCN(C(=O)c2[nH]nc3c2CCc2cc(OC)ccc2-3)CC1 ZINC000015772845 220164045 /nfs/dbraw/zinc/16/40/45/220164045.db2.gz FNGWNSPRHYXYLO-UHFFFAOYSA-N 1 1 354.454 2.352 50 0 FEAAMO O=C(C[N@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)NCCc1ccccc1 ZINC000077298768 542363466 /nfs/dbraw/zinc/36/34/66/542363466.db2.gz NLENAXDKIPPPHK-QFIPXVFZSA-N 1 1 369.509 2.212 50 0 FEAAMO CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)OC1=O ZINC000077342655 542369442 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FEAAMO CN1CCC([N@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)CC1 ZINC000020996397 220347963 /nfs/dbraw/zinc/34/79/63/220347963.db2.gz WZZUYULGOGSGTR-SFHVURJKSA-N 1 1 369.912 2.442 50 0 FEAAMO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2cccs2)CC1 ZINC000022365632 220383715 /nfs/dbraw/zinc/38/37/15/220383715.db2.gz YFYLMQWYTLBUHO-UHFFFAOYSA-N 1 1 362.499 2.078 50 0 FEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000022693881 220396047 /nfs/dbraw/zinc/39/60/47/220396047.db2.gz XMFLYOZNHOHIFA-OAHLLOKOSA-N 1 1 360.458 2.433 50 0 FEAAMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)o1 ZINC000051097893 221033379 /nfs/dbraw/zinc/03/33/79/221033379.db2.gz UTSZKRQCBNCVGO-UHFFFAOYSA-N 1 1 355.438 2.445 50 0 FEAAMO C[C@H]1C[C@@H]([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C(=O)O1 ZINC000053020562 221041801 /nfs/dbraw/zinc/04/18/01/221041801.db2.gz BMOJIQKHADVVML-IINYFYTJSA-N 1 1 352.818 2.400 50 0 FEAAMO C[C@@H]1CCCN(C(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)C1 ZINC000055028423 221057545 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Cc1cccnc1C[NH+]1CCN(Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000072162641 136143385 /nfs/dbraw/zinc/14/33/85/136143385.db2.gz FCTANWWWNDIFQE-UHFFFAOYSA-N 1 1 366.513 2.488 50 0 FEAAMO Cc1ccc(CCN2C(=O)CC[C@H]3CN(c4cc(N)[nH+]cn4)CC[C@H]32)o1 ZINC000072478522 136149500 /nfs/dbraw/zinc/14/95/00/136149500.db2.gz JQNKBSMNLWNWPJ-GOEBONIOSA-N 1 1 355.442 2.020 50 0 FEAAMO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)cc1 ZINC000023389261 136152840 /nfs/dbraw/zinc/15/28/40/136152840.db2.gz IHNUULJQWQCEBL-LJQANCHMSA-N 1 1 358.438 2.182 50 0 FEAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@H](Cn4cc(CO)nn4)C3)CC2)c1 ZINC000023581035 136153076 /nfs/dbraw/zinc/15/30/76/136153076.db2.gz QTZZNZRAZXKKII-SFHVURJKSA-N 1 1 369.513 2.460 50 0 FEAAMO Cc1ccc([C@@H](CNC(=O)C2CCN(C(=O)C3CCC3)CC2)[NH+](C)C)o1 ZINC000095366965 542961039 /nfs/dbraw/zinc/96/10/39/542961039.db2.gz UVGHFJCRSXZKKN-QGZVFWFLSA-N 1 1 361.486 2.346 50 0 FEAAMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 ZINC000095446865 542970298 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Cc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012068916 539542040 /nfs/dbraw/zinc/54/20/40/539542040.db2.gz BVRZEEBPDWKFNP-UHFFFAOYSA-N 1 1 373.522 2.486 50 0 FEAAMO Cc1cnccc1CN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000012210583 539549462 /nfs/dbraw/zinc/54/94/62/539549462.db2.gz BJMTWIVLZQVWQK-LJQANCHMSA-N 1 1 372.513 2.119 50 0 FEAAMO CCN(Cc1nccn1C)C(=O)c1ccc(N(C)C[C@H]2CCC[N@H+]2C)nc1 ZINC000012446359 539560299 /nfs/dbraw/zinc/56/02/99/539560299.db2.gz JAJBWFZGQQKUPM-QGZVFWFLSA-N 1 1 370.501 2.008 50 0 FEAAMO Cc1ncsc1CCC(=O)N[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000012713975 539571047 /nfs/dbraw/zinc/57/10/47/539571047.db2.gz FHQRUOCLQJSMFI-OAHLLOKOSA-N 1 1 350.532 2.059 50 0 FEAAMO Cc1ncsc1CCC(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000012713975 539571050 /nfs/dbraw/zinc/57/10/50/539571050.db2.gz FHQRUOCLQJSMFI-OAHLLOKOSA-N 1 1 350.532 2.059 50 0 FEAAMO CC[C@@H]1CN(C(=O)c2ccc(NCc3cnn(C)c3)nc2)CC[N@H+]1C(C)C ZINC000019334478 539655421 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C[N@@H+]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC000030029335 539873409 /nfs/dbraw/zinc/87/34/09/539873409.db2.gz BRVAKZHMEKQDOF-GOSISDBHSA-N 1 1 373.478 2.187 50 0 FEAAMO C[N@H+]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)[C@@H](c2ccccc2)C1 ZINC000030029335 539873411 /nfs/dbraw/zinc/87/34/11/539873411.db2.gz BRVAKZHMEKQDOF-GOSISDBHSA-N 1 1 373.478 2.187 50 0 FEAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1n[nH]c(=O)c2ccccc21 ZINC000029838550 539865804 /nfs/dbraw/zinc/86/58/04/539865804.db2.gz YSPPMVJYYCACRU-UHFFFAOYSA-N 1 1 362.433 2.101 50 0 FEAAMO NC(=O)[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000032870797 539956718 /nfs/dbraw/zinc/95/67/18/539956718.db2.gz QDGUFKXXNWFSGR-LJQANCHMSA-N 1 1 365.477 2.480 50 0 FEAAMO C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCO2 ZINC000032870855 539957111 /nfs/dbraw/zinc/95/71/11/539957111.db2.gz FDAXEQGYXWEGBW-UHFFFAOYSA-N 1 1 361.423 2.036 50 0 FEAAMO CC(=O)c1ccc(N2CC[NH+](CCC(=O)Nc3ccccn3)CC2)cc1 ZINC000036398455 539990114 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FEAAMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@@H](Cc2cccc(OC)c2)C1 ZINC000071754104 541770225 /nfs/dbraw/zinc/77/02/25/541770225.db2.gz DEYZOTWLAIKBPM-SFHVURJKSA-N 1 1 357.454 2.314 50 0 FEAAMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)NCc1ccccc1Cl ZINC000071762190 541770974 /nfs/dbraw/zinc/77/09/74/541770974.db2.gz ISHIQBHPPHYXMF-MRXNPFEDSA-N 1 1 363.889 2.433 50 0 FEAAMO O=C([C@H]1CCC[N@@H+](C2CCN(CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762084 541771443 /nfs/dbraw/zinc/77/14/43/541771443.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 1 1 373.545 2.072 50 0 FEAAMO O=C([C@H]1CCC[N@H+](C2CCN(CCCn3ccnc3)CC2)C1)N1CCCC1 ZINC000071762084 541771446 /nfs/dbraw/zinc/77/14/46/541771446.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 1 1 373.545 2.072 50 0 FEAAMO Cc1nc(C2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)cc(=O)[nH]1 ZINC000072125614 541784466 /nfs/dbraw/zinc/78/44/66/541784466.db2.gz GQGDRQGLTSTGLT-UHFFFAOYSA-N 1 1 350.426 2.451 50 0 FEAAMO COc1ccc(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000072150802 541789916 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O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000012588948 539566974 /nfs/dbraw/zinc/56/69/74/539566974.db2.gz XXOZPUGJNVRETR-QGZVFWFLSA-N 1 1 355.482 2.282 50 0 FEAAMO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000012836942 539576629 /nfs/dbraw/zinc/57/66/29/539576629.db2.gz AASYRPYCYZFDLD-KRWDZBQOSA-N 1 1 352.398 2.167 50 0 FEAAMO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000012836942 539576635 /nfs/dbraw/zinc/57/66/35/539576635.db2.gz AASYRPYCYZFDLD-KRWDZBQOSA-N 1 1 352.398 2.167 50 0 FEAAMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1)c1ccco1 ZINC000016424710 539631658 /nfs/dbraw/zinc/63/16/58/539631658.db2.gz HXCKSEIYJPJIJO-MRXNPFEDSA-N 1 1 357.454 2.425 50 0 FEAAMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1)c1ccco1 ZINC000016424710 539631662 /nfs/dbraw/zinc/63/16/62/539631662.db2.gz HXCKSEIYJPJIJO-MRXNPFEDSA-N 1 1 357.454 2.425 50 0 FEAAMO Cc1c(C)n(CC[NH+]2CCOCC2)c2ncn3nc(-c4ccco4)nc3c12 ZINC000020573682 539675685 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CCN1CC[NH+](C2(C(=O)N3CCC(C)CC3)Cc3ccccc3C2)CC1 ZINC000020449460 539674887 /nfs/dbraw/zinc/67/48/87/539674887.db2.gz MIUBEHQWNDFUKK-UHFFFAOYSA-N 1 1 355.526 2.420 50 0 FEAAMO COc1cccc(C[N@@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c1 ZINC000022930814 539702858 /nfs/dbraw/zinc/70/28/58/539702858.db2.gz SWVXWUAANCXYFT-IBGZPJMESA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c1 ZINC000022930814 539702861 /nfs/dbraw/zinc/70/28/61/539702861.db2.gz SWVXWUAANCXYFT-IBGZPJMESA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(CN2CC[N@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)c1 ZINC000022930814 539702865 /nfs/dbraw/zinc/70/28/65/539702865.db2.gz SWVXWUAANCXYFT-IBGZPJMESA-N 1 1 356.466 2.470 50 0 FEAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(O)cc3)C[C@@H]2CCO)c1 ZINC000022930814 539702867 /nfs/dbraw/zinc/70/28/67/539702867.db2.gz SWVXWUAANCXYFT-IBGZPJMESA-N 1 1 356.466 2.470 50 0 FEAAMO O=C(COc1ccc(F)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023625323 539717707 /nfs/dbraw/zinc/71/77/07/539717707.db2.gz 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CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000072154648 541790900 /nfs/dbraw/zinc/79/09/00/541790900.db2.gz FGIPCWSAMITENK-HNNXBMFYSA-N 1 1 372.296 2.456 50 0 FEAAMO Cc1c(F)cccc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072164030 541793024 /nfs/dbraw/zinc/79/30/24/541793024.db2.gz QKFKSJBJPVEZTH-OAQYLSRUSA-N 1 1 367.424 2.110 50 0 FEAAMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072407494 541805898 /nfs/dbraw/zinc/80/58/98/541805898.db2.gz LFYDSNAQRLJRSE-OAQYLSRUSA-N 1 1 372.513 2.153 50 0 FEAAMO c1c[nH]c(C[N@@H+]2CCc3nc(NC4CC4)nc(NC4CCC4)c3CC2)n1 ZINC000072424983 541810319 /nfs/dbraw/zinc/81/03/19/541810319.db2.gz DSZHBAHHKLFYFT-UHFFFAOYSA-N 1 1 353.474 2.339 50 0 FEAAMO c1c[nH]c(C[N@H+]2CCc3nc(NC4CC4)nc(NC4CCC4)c3CC2)n1 ZINC000072424983 541810321 /nfs/dbraw/zinc/81/03/21/541810321.db2.gz DSZHBAHHKLFYFT-UHFFFAOYSA-N 1 1 353.474 2.339 50 0 FEAAMO O=C1OC2(CN1CCOc1ccccc1)CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000072430029 541811712 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c1cc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc2nsnc12 ZINC000020254601 670030201 /nfs/dbraw/zinc/03/02/01/670030201.db2.gz JFKJDDSSLRSSKC-OAHLLOKOSA-N 1 1 356.455 2.193 50 0 FEAAMO c1cc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc2nsnc12 ZINC000020254601 670030202 /nfs/dbraw/zinc/03/02/02/670030202.db2.gz JFKJDDSSLRSSKC-OAHLLOKOSA-N 1 1 356.455 2.193 50 0 FEAAMO COc1ccc(OC)c(S(=O)(=O)NCCc2[nH+]cc(C)n2C(C)C)c1 ZINC000169788180 672322447 /nfs/dbraw/zinc/32/24/47/672322447.db2.gz ZNMJRKCLALLBDI-UHFFFAOYSA-N 1 1 367.471 2.311 50 0 FEAAMO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cn1 ZINC000624111731 676565210 /nfs/dbraw/zinc/56/52/10/676565210.db2.gz CTRBBQKMDUPQJW-NEPJUHHUSA-N 1 1 370.295 2.331 50 0 FEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000000895241 539335133 /nfs/dbraw/zinc/33/51/33/539335133.db2.gz MSKVNYIGOHPCBS-CQSZACIVSA-N 1 1 364.442 2.308 50 0 FEAAMO CC(C)[N@@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000011036689 539523717 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[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(F)c2)N1)OCCCO4 ZINC000012630182 539568832 /nfs/dbraw/zinc/56/88/32/539568832.db2.gz MAKKWRBPBLUKKS-MRXNPFEDSA-N 1 1 353.357 2.433 50 0 FEAAMO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000012888015 539578036 /nfs/dbraw/zinc/57/80/36/539578036.db2.gz LBMYVGULPIWNTM-INIZCTEOSA-N 1 1 373.497 2.147 50 0 FEAAMO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000014200960 539598905 /nfs/dbraw/zinc/59/89/05/539598905.db2.gz VVTAFDKWCQUACT-MJICGBHWSA-N 1 1 362.470 2.022 50 0 FEAAMO C[C@@H](NC(=O)c1nn(CCO)c2c1C[N@@H+](C1CCC1)CC2)c1ccccc1 ZINC000014740940 539605233 /nfs/dbraw/zinc/60/52/33/539605233.db2.gz XPOIVUYKLZSQCJ-OAHLLOKOSA-N 1 1 368.481 2.277 50 0 FEAAMO C[C@@H](NC(=O)c1nn(CCO)c2c1C[N@H+](C1CCC1)CC2)c1ccccc1 ZINC000014740940 539605237 /nfs/dbraw/zinc/60/52/37/539605237.db2.gz XPOIVUYKLZSQCJ-OAHLLOKOSA-N 1 1 368.481 2.277 50 0 FEAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1N1CCOCC1 ZINC000014881933 539606676 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50 0 FEAAMO O=C([C@@H]1CC=CCC1)N1CCC(Cn2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000023506416 539715857 /nfs/dbraw/zinc/71/58/57/539715857.db2.gz LKTQRVHZGZVDIT-GOSISDBHSA-N 1 1 357.502 2.469 50 0 FEAAMO CC[N@H+](CCn1cccn1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn21 ZINC000023580535 539716580 /nfs/dbraw/zinc/71/65/80/539716580.db2.gz ARFOJNTZHINWNC-UHFFFAOYSA-N 1 1 374.876 2.408 50 0 FEAAMO CC[N@@H+](CCn1cccn1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn21 ZINC000023580535 539716582 /nfs/dbraw/zinc/71/65/82/539716582.db2.gz ARFOJNTZHINWNC-UHFFFAOYSA-N 1 1 374.876 2.408 50 0 FEAAMO COc1ccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000024292956 539728847 /nfs/dbraw/zinc/72/88/47/539728847.db2.gz DJLYARZXBLDJRW-UHFFFAOYSA-N 1 1 364.449 2.250 50 0 FEAAMO Cc1ccc(OCCC[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C ZINC000025933472 539772882 /nfs/dbraw/zinc/77/28/82/539772882.db2.gz RUODONPMWOXYGV-GOSISDBHSA-N 1 1 359.514 2.357 50 0 FEAAMO O=S(=O)(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000032911878 539958824 /nfs/dbraw/zinc/95/88/24/539958824.db2.gz GKBZCMHVNGIIAI-NSHDSACASA-N 1 1 364.389 2.348 50 0 FEAAMO CC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000034667256 539976836 /nfs/dbraw/zinc/97/68/36/539976836.db2.gz JXWUQHQHKVBHTE-MOPGFXCFSA-N 1 1 366.477 2.396 50 0 FEAAMO CC[C@@H](O)C[N@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000034667256 539976838 /nfs/dbraw/zinc/97/68/38/539976838.db2.gz JXWUQHQHKVBHTE-MOPGFXCFSA-N 1 1 366.477 2.396 50 0 FEAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 ZINC000035485353 539982616 /nfs/dbraw/zinc/98/26/16/539982616.db2.gz WNYJHPPZISCSFD-OALUTQOASA-N 1 1 357.498 2.291 50 0 FEAAMO CCC(CC)[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)[NH+]1CCOCC1 ZINC000040087036 540005573 /nfs/dbraw/zinc/00/55/73/540005573.db2.gz SVNGQQVKTBATOS-SFHVURJKSA-N 1 1 373.501 2.078 50 0 FEAAMO CNC(=O)C1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000052329752 540463325 /nfs/dbraw/zinc/46/33/25/540463325.db2.gz SEUXXHVSVXLQRH-FQEVSTJZSA-N 1 1 357.498 2.492 50 0 FEAAMO CCn1nccc1NC(=O)c1cccc(C[N@H+]2CC[C@@H](N(C)C(C)=O)C2)c1 ZINC000067934219 541529837 /nfs/dbraw/zinc/52/98/37/541529837.db2.gz HGPCOMSLFGDHQP-GOSISDBHSA-N 1 1 369.469 2.208 50 0 FEAAMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000069114531 541658760 /nfs/dbraw/zinc/65/87/60/541658760.db2.gz DNYOJFFDJNDMGF-RDJZCZTQSA-N 1 1 362.499 2.266 50 0 FEAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NCC(F)(F)F)c2C)C1 ZINC000069570378 541697343 /nfs/dbraw/zinc/69/73/43/541697343.db2.gz ZKSVBXBHNLDKLN-UHFFFAOYSA-N 1 1 367.375 2.246 50 0 FEAAMO CC[C@H]1C[N@@H+](Cc2cn(CCO)nc2C)CCC(=O)N1Cc1ccccc1 ZINC000071551803 541768508 /nfs/dbraw/zinc/76/85/08/541768508.db2.gz NRBGNJWTDZRCMB-FQEVSTJZSA-N 1 1 370.497 2.197 50 0 FEAAMO O=C(c1ccccn1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071745362 541769399 /nfs/dbraw/zinc/76/93/99/541769399.db2.gz USDZISCODBUSBP-QGZVFWFLSA-N 1 1 370.497 2.021 50 0 FEAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCOc3ccccc3C2)[nH]1 ZINC000071730490 541769523 /nfs/dbraw/zinc/76/95/23/541769523.db2.gz AVLLTNIURYYTHK-IRXDYDNUSA-N 1 1 368.481 2.347 50 0 FEAAMO CC(C)[C@H]1CN(c2cc(N)[nH+]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071753769 541770676 /nfs/dbraw/zinc/77/06/76/541770676.db2.gz CWNDEZZQFUMXKF-MRXNPFEDSA-N 1 1 357.433 2.461 50 0 FEAAMO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071755156 541771455 /nfs/dbraw/zinc/77/14/55/541771455.db2.gz JFWYTMWSWCFQBB-QGZVFWFLSA-N 1 1 373.497 2.351 50 0 FEAAMO CN(CCO)C(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072138932 541785959 /nfs/dbraw/zinc/78/59/59/541785959.db2.gz WLPVDYCLNLGJMZ-UHFFFAOYSA-N 1 1 352.478 2.149 50 0 FEAAMO O=C(c1cnccn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072128114 541785522 /nfs/dbraw/zinc/78/55/22/541785522.db2.gz HUDLZMCZVYPGMZ-NIKGAXFTSA-N 1 1 370.403 2.457 50 0 FEAAMO Cc1nc(C)c(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(=O)[nH]1 ZINC000072155984 541790699 /nfs/dbraw/zinc/79/06/99/541790699.db2.gz XRJXUMDAUVDCQH-SFHVURJKSA-N 1 1 368.481 2.052 50 0 FEAAMO COc1c[nH]c(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000072153168 541790847 /nfs/dbraw/zinc/79/08/47/541790847.db2.gz NSDIIYZZHFIDMM-QGZVFWFLSA-N 1 1 367.449 2.459 50 0 FEAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000072154320 541790859 /nfs/dbraw/zinc/79/08/59/541790859.db2.gz UFBOOQDDCLOCAA-UHFFFAOYSA-N 1 1 359.495 2.307 50 0 FEAAMO COC(=O)COc1ccc(CN2CC([N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000072163804 541792923 /nfs/dbraw/zinc/79/29/23/541792923.db2.gz VPGNOLYJEDUCCR-OAHLLOKOSA-N 1 1 362.470 2.306 50 0 FEAAMO Cc1cc(=O)c(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)co1 ZINC000072403311 541805013 /nfs/dbraw/zinc/80/50/13/541805013.db2.gz NRIVYYCJCZIPMZ-UHFFFAOYSA-N 1 1 374.412 2.247 50 0 FEAAMO O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000072407229 541805395 /nfs/dbraw/zinc/80/53/95/541805395.db2.gz QERYSNXWEFFPRR-INIZCTEOSA-N 1 1 371.481 2.222 50 0 FEAAMO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000072410207 541806403 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FEAAMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1 ZINC000072428367 541812055 /nfs/dbraw/zinc/81/20/55/541812055.db2.gz UHGRPXHEYPUUCO-KRWDZBQOSA-N 1 1 359.518 2.337 50 0 FEAAMO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCC(C)C)C2)cc(N2CCCC2)n1 ZINC000072428367 541812056 /nfs/dbraw/zinc/81/20/56/541812056.db2.gz UHGRPXHEYPUUCO-KRWDZBQOSA-N 1 1 359.518 2.337 50 0 FEAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072432701 541813135 /nfs/dbraw/zinc/81/31/35/541813135.db2.gz GGRUQYZSVTWVTD-KRWDZBQOSA-N 1 1 361.534 2.141 50 0 FEAAMO CC(C)NC(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072479487 541821854 /nfs/dbraw/zinc/82/18/54/541821854.db2.gz QRZYSCATWVRJKK-NRFANRHFSA-N 1 1 372.513 2.201 50 0 FEAAMO COc1ccc(NC(=O)[C@H]2C=C(O)NC(Nc3cccc(C)c3)=[NH+]2)cc1 ZINC000009348339 204364914 /nfs/dbraw/zinc/36/49/14/204364914.db2.gz MLOKURFTYWESEJ-MRXNPFEDSA-N 1 1 352.394 2.299 50 0 FEAAMO CC[C@H](CNC(=O)Cn1nnc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000040074402 205052247 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COc1ccc(CC[NH+]2CCN([C@@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000058190818 205256398 /nfs/dbraw/zinc/25/63/98/205256398.db2.gz JVIHPIOTQDUDGW-INIZCTEOSA-N 1 1 372.469 2.179 50 0 FEAAMO Cc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000058203324 205260325 /nfs/dbraw/zinc/26/03/25/205260325.db2.gz JRDRTGOMGNKXCT-HOTGVXAUSA-N 1 1 356.470 2.268 50 0 FEAAMO COC(=O)c1cc2n(n1)CCCN([C@@H](C)C[N@H+]1CCc3ccccc3C1)C2 ZINC000065430166 205351088 /nfs/dbraw/zinc/35/10/88/205351088.db2.gz CCYDDRNNDZCYMF-INIZCTEOSA-N 1 1 368.481 2.322 50 0 FEAAMO CCOc1ccccc1CN(CC)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065534288 205358741 /nfs/dbraw/zinc/35/87/41/205358741.db2.gz PBRNVRTXJSRYAR-QGZVFWFLSA-N 1 1 361.486 2.033 50 0 FEAAMO CCOc1ccccc1CN(CC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065534288 205358746 /nfs/dbraw/zinc/35/87/46/205358746.db2.gz PBRNVRTXJSRYAR-QGZVFWFLSA-N 1 1 361.486 2.033 50 0 FEAAMO OC1CCN(c2ccnc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000065394338 205345688 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CCN1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000253417900 132293871 /nfs/dbraw/zinc/29/38/71/132293871.db2.gz LDNJUKBMDLYHBR-IBGZPJMESA-N 1 1 358.530 2.141 50 0 FEAAMO CC(=O)c1nc(CC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)[nH]c1C ZINC000089547795 542764595 /nfs/dbraw/zinc/76/45/95/542764595.db2.gz OVBQTZMZYRAGGN-UHFFFAOYSA-N 1 1 368.437 2.478 50 0 FEAAMO CC(=O)c1[nH]c(CC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)nc1C ZINC000089547795 542764598 /nfs/dbraw/zinc/76/45/98/542764598.db2.gz OVBQTZMZYRAGGN-UHFFFAOYSA-N 1 1 368.437 2.478 50 0 FEAAMO CC(=O)c1[nH]c(CC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)nc1C ZINC000089547795 542764601 /nfs/dbraw/zinc/76/46/01/542764601.db2.gz OVBQTZMZYRAGGN-UHFFFAOYSA-N 1 1 368.437 2.478 50 0 FEAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(C)sc1C)C2 ZINC000091535493 542811435 /nfs/dbraw/zinc/81/14/35/542811435.db2.gz BJJTYTDBCKPPAJ-HUUCEWRRSA-N 1 1 358.529 2.096 50 0 FEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cc(C)sc1C)C2 ZINC000091535493 542811438 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/nfs/dbraw/zinc/63/84/79/539638479.db2.gz FBHFMTNTVHOJCY-UHFFFAOYSA-N 1 1 373.482 2.412 50 0 FEAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnn(CC)c3)C[C@@H]2CCO)cc1 ZINC000019227778 539653900 /nfs/dbraw/zinc/65/39/00/539653900.db2.gz MSTRAMOSHYBNGH-FQEVSTJZSA-N 1 1 372.513 2.371 50 0 FEAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnn(CC)c3)C[C@@H]2CCO)cc1 ZINC000019227778 539653904 /nfs/dbraw/zinc/65/39/04/539653904.db2.gz MSTRAMOSHYBNGH-FQEVSTJZSA-N 1 1 372.513 2.371 50 0 FEAAMO C[NH+]1CCN(C(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019860635 539670126 /nfs/dbraw/zinc/67/01/26/539670126.db2.gz GKIAPSUKAAIKHF-UHFFFAOYSA-N 1 1 353.491 2.467 50 0 FEAAMO CCOC(=O)N1CCC(N2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)CC1 ZINC000020780321 539677545 /nfs/dbraw/zinc/67/75/45/539677545.db2.gz ATNAUFJFCLROAS-KRWDZBQOSA-N 1 1 355.523 2.022 50 0 FEAAMO C[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(Cl)Cl)cc2)CC1 ZINC000019873254 539671003 /nfs/dbraw/zinc/67/10/03/539671003.db2.gz ZCNFWRLIHZGTOK-UHFFFAOYSA-N 1 1 350.221 2.310 50 0 FEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)C2CCCCC2)CC1 ZINC000023625295 539717921 /nfs/dbraw/zinc/71/79/21/539717921.db2.gz SFZDSCDWXNWYED-UHFFFAOYSA-N 1 1 357.498 2.336 50 0 FEAAMO Cc1ccc(OCCC[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C ZINC000025933477 539773060 /nfs/dbraw/zinc/77/30/60/539773060.db2.gz RUODONPMWOXYGV-SFHVURJKSA-N 1 1 359.514 2.357 50 0 FEAAMO O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000026357766 539784512 /nfs/dbraw/zinc/78/45/12/539784512.db2.gz GNSTVPYPWPRXIB-UHFFFAOYSA-N 1 1 365.433 2.366 50 0 FEAAMO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000029929976 539869317 /nfs/dbraw/zinc/86/93/17/539869317.db2.gz DUPABSQQFOYPAO-HNNXBMFYSA-N 1 1 351.450 2.456 50 0 FEAAMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 ZINC000029929976 539869320 /nfs/dbraw/zinc/86/93/20/539869320.db2.gz DUPABSQQFOYPAO-HNNXBMFYSA-N 1 1 351.450 2.456 50 0 FEAAMO CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955353 539895216 /nfs/dbraw/zinc/89/52/16/539895216.db2.gz HVTAGVIUWDGCDV-UHFFFAOYSA-N 1 1 372.469 2.491 50 0 FEAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCC1 ZINC000035377991 539981127 /nfs/dbraw/zinc/98/11/27/539981127.db2.gz YXAQONGAXQMECY-OALUTQOASA-N 1 1 357.498 2.291 50 0 FEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H](C)OCC(F)(F)F)CC2)c1 ZINC000043034591 540086001 /nfs/dbraw/zinc/08/60/01/540086001.db2.gz FEMLMMCSPBCDIY-HNNXBMFYSA-N 1 1 373.419 2.201 50 0 FEAAMO CCc1noc([C@H](C)NC(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)n1 ZINC000067981665 541535317 /nfs/dbraw/zinc/53/53/17/541535317.db2.gz ZCAQMUIAZWJJHK-NSHDSACASA-N 1 1 357.418 2.214 50 0 FEAAMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000069114527 541658859 /nfs/dbraw/zinc/65/88/59/541658859.db2.gz DNYOJFFDJNDMGF-DOTOQJQBSA-N 1 1 362.499 2.266 50 0 FEAAMO Cc1n[nH]c(C)c1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405768 541766628 /nfs/dbraw/zinc/76/66/28/541766628.db2.gz LGFRNINKDYHBTJ-GOSISDBHSA-N 1 1 373.545 2.325 50 0 FEAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cn2ccnc2)o1 ZINC000071479459 541767573 /nfs/dbraw/zinc/76/75/73/541767573.db2.gz RENGSIVATYLJSW-QGZVFWFLSA-N 1 1 350.422 2.311 50 0 FEAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cn2ccnc2)o1 ZINC000071479459 541767577 /nfs/dbraw/zinc/76/75/77/541767577.db2.gz RENGSIVATYLJSW-QGZVFWFLSA-N 1 1 350.422 2.311 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)n[nH]1 ZINC000071748926 541769250 /nfs/dbraw/zinc/76/92/50/541769250.db2.gz KQPVBZCDVZZTKD-JKSUJKDBSA-N 1 1 370.453 2.306 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)[nH]n1 ZINC000071748926 541769253 /nfs/dbraw/zinc/76/92/53/541769253.db2.gz KQPVBZCDVZZTKD-JKSUJKDBSA-N 1 1 370.453 2.306 50 0 FEAAMO COc1ccccc1OCc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)[nH]n1 ZINC000071748926 541769255 /nfs/dbraw/zinc/76/92/55/541769255.db2.gz KQPVBZCDVZZTKD-JKSUJKDBSA-N 1 1 370.453 2.306 50 0 FEAAMO CC[C@]1(O)CCC[N@@H+](Cc2c(C(=O)N3CCCC3)nc3ccccn32)C1 ZINC000071752270 541770549 /nfs/dbraw/zinc/77/05/49/541770549.db2.gz MHNSNHSITWHZCH-FQEVSTJZSA-N 1 1 356.470 2.307 50 0 FEAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCCF)CC2)C1 ZINC000071750332 541770560 /nfs/dbraw/zinc/77/05/60/541770560.db2.gz SLMCSMNRDCIRII-QGZVFWFLSA-N 1 1 362.493 2.234 50 0 FEAAMO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC[N@H+]1CC1CC1 ZINC000071759892 541771470 /nfs/dbraw/zinc/77/14/70/541771470.db2.gz SBLGTQWXQMOVAQ-SFHVURJKSA-N 1 1 356.470 2.439 50 0 FEAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@]3(CNC(=O)O3)CC2)cc1 ZINC000072127233 541784231 /nfs/dbraw/zinc/78/42/31/541784231.db2.gz LALVFASHEABRTP-LJQANCHMSA-N 1 1 356.426 2.345 50 0 FEAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@]3(CNC(=O)O3)CC2)cc1 ZINC000072127233 541784235 /nfs/dbraw/zinc/78/42/35/541784235.db2.gz LALVFASHEABRTP-LJQANCHMSA-N 1 1 356.426 2.345 50 0 FEAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072145375 541788458 /nfs/dbraw/zinc/78/84/58/541788458.db2.gz XVYCNMXQBMPXQH-FQEVSTJZSA-N 1 1 359.514 2.188 50 0 FEAAMO Cc1cc(F)ccc1CC(=O)N1CC[NH2+]C[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000072148140 541789136 /nfs/dbraw/zinc/78/91/36/541789136.db2.gz VENYMESVGOJCLH-SFHVURJKSA-N 1 1 373.403 2.255 50 0 FEAAMO Cc1ccn2c(nnc2C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000072147488 541789198 /nfs/dbraw/zinc/78/91/98/541789198.db2.gz BWMLCWKGDWJIEG-MRXNPFEDSA-N 1 1 356.474 2.207 50 0 FEAAMO CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072153963 541790541 /nfs/dbraw/zinc/79/05/41/541790541.db2.gz QQKFMLVJCWFTLZ-FQEVSTJZSA-N 1 1 365.477 2.097 50 0 FEAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1(Cn2cccn2)CC1 ZINC000072161834 541792144 /nfs/dbraw/zinc/79/21/44/541792144.db2.gz JWQGIGJGXBIDSI-LJQANCHMSA-N 1 1 352.482 2.487 50 0 FEAAMO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCN2C(=O)CCCc2ccccc2)cn1 ZINC000072163840 541793582 /nfs/dbraw/zinc/79/35/82/541793582.db2.gz MKNLFXLMVSKKII-LJQANCHMSA-N 1 1 366.465 2.152 50 0 FEAAMO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C(C)=O)C3)C2)c1OC ZINC000072165409 541794389 /nfs/dbraw/zinc/79/43/89/541794389.db2.gz SUQWMPQQYIQRKJ-HXUWFJFHSA-N 1 1 360.454 2.107 50 0 FEAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)C(C)=O)C3)C2)c1OC ZINC000072165409 541794392 /nfs/dbraw/zinc/79/43/92/541794392.db2.gz SUQWMPQQYIQRKJ-HXUWFJFHSA-N 1 1 360.454 2.107 50 0 FEAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000072308743 541798174 /nfs/dbraw/zinc/79/81/74/541798174.db2.gz NPYRQPCFLVIMLZ-RDJZCZTQSA-N 1 1 360.502 2.206 50 0 FEAAMO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000072408532 541806258 /nfs/dbraw/zinc/80/62/58/541806258.db2.gz OKLLSOCARDLRRB-LJQANCHMSA-N 1 1 360.498 2.327 50 0 FEAAMO COc1cc(OC)c(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)c(OC)c1 ZINC000072426903 541810931 /nfs/dbraw/zinc/81/09/31/541810931.db2.gz WFNTUFDQAWTTSO-UHFFFAOYSA-N 1 1 350.415 2.129 50 0 FEAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c1 ZINC000072420983 541809380 /nfs/dbraw/zinc/80/93/80/541809380.db2.gz NTTSSUYFSGQAJH-CQSZACIVSA-N 1 1 361.465 2.404 50 0 FEAAMO O=C(c1cnc[nH]c1=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072429483 541811690 /nfs/dbraw/zinc/81/16/90/541811690.db2.gz ZPNIIIYMMCDBDG-OAQYLSRUSA-N 1 1 366.465 2.288 50 0 FEAAMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072462958 541817104 /nfs/dbraw/zinc/81/71/04/541817104.db2.gz BJCPOMGSUBWPCM-NRFANRHFSA-N 1 1 372.513 2.153 50 0 FEAAMO Cc1c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)sc2[nH]cnc(=O)c12 ZINC000072463213 541818052 /nfs/dbraw/zinc/81/80/52/541818052.db2.gz LFQQJDFVJLEAOU-UHFFFAOYSA-N 1 1 360.483 2.384 50 0 FEAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072478544 541820424 /nfs/dbraw/zinc/82/04/24/541820424.db2.gz NTEHJGVWPHXFSF-QGZVFWFLSA-N 1 1 373.476 2.166 50 0 FEAAMO Cc1n[nH]c(C)c1C[N@H+]1CCc2nc(N)nc(NC3CCCC3)c2CC1 ZINC000072478991 541820493 /nfs/dbraw/zinc/82/04/93/541820493.db2.gz QQAZLJIZZMUHRY-UHFFFAOYSA-N 1 1 355.490 2.354 50 0 FEAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000002457889 204040241 /nfs/dbraw/zinc/04/02/41/204040241.db2.gz FPMPQHJDKXUDCW-GFCCVEGCSA-N 1 1 354.501 2.092 50 0 FEAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000004196715 204127919 /nfs/dbraw/zinc/12/79/19/204127919.db2.gz PPZYWGRLAWHOLR-MJBXVCDLSA-N 1 1 355.360 2.433 50 0 FEAAMO COc1ccc([C@H]2c3c(=O)n(C)c(=O)n(C)c3[NH+]=C3CCCCCN32)cc1 ZINC000014246101 204577993 /nfs/dbraw/zinc/57/79/93/204577993.db2.gz LLHOOUNJNYOGBR-KRWDZBQOSA-N 1 1 368.437 2.102 50 0 FEAAMO Cc1[nH+]ccn1CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000029937834 204905979 /nfs/dbraw/zinc/90/59/79/204905979.db2.gz GDJPWKJRPQQKAK-UHFFFAOYSA-N 1 1 350.304 2.430 50 0 FEAAMO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000040091339 205054818 /nfs/dbraw/zinc/05/48/18/205054818.db2.gz ZWTVOKBXRWDHIR-SJLPKXTDSA-N 1 1 351.516 2.217 50 0 FEAAMO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC000044852764 205113592 /nfs/dbraw/zinc/11/35/92/205113592.db2.gz SPFVFCOPZUVIGQ-ZDUSSCGKSA-N 1 1 364.471 2.292 50 0 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COc1cc2[nH]c(=O)c(CN3CC[N@H+]4CCC[C@H]4C3)cc2c(OC)c1OC ZINC000240825175 523067351 /nfs/dbraw/zinc/06/73/51/523067351.db2.gz QNSRMSVKQILZJJ-AWEZNQCLSA-N 1 1 373.453 2.246 50 0 FEAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1Cn1cccn1 ZINC000020202239 524028017 /nfs/dbraw/zinc/02/80/17/524028017.db2.gz JMMVARYTBCUHLM-HXUWFJFHSA-N 1 1 370.497 2.237 50 0 FEAAMO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436707 526704553 /nfs/dbraw/zinc/70/45/53/526704553.db2.gz ZUPDQCAMBUQKIY-HNNXBMFYSA-N 1 1 358.360 2.114 50 0 FEAAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cnc(-c4ccccn4)nc3)C2)N1CC1CC1 ZINC000091434547 527118154 /nfs/dbraw/zinc/11/81/54/527118154.db2.gz URDCLXDEXYJWKV-ZWKOTPCHSA-N 1 1 363.465 2.371 50 0 FEAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cnc(-c4ccccn4)nc3)C2)N1CC1CC1 ZINC000091434547 527118156 /nfs/dbraw/zinc/11/81/56/527118156.db2.gz URDCLXDEXYJWKV-ZWKOTPCHSA-N 1 1 363.465 2.371 50 0 FEAAMO CCCc1cc(CNC(=O)c2ccc(N3CC[N@@H+](C)[C@H](CC)C3)nc2)on1 ZINC000039371850 535396626 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354.454 2.199 50 0 FEAAMO CCCOc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3cccnc3)C2)cn1 ZINC000065267533 541231568 /nfs/dbraw/zinc/23/15/68/541231568.db2.gz WQEYNAUAOORYSC-SFHVURJKSA-N 1 1 354.454 2.199 50 0 FEAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2ccccc2OC)[nH]1 ZINC000071405580 541766776 /nfs/dbraw/zinc/76/67/76/541766776.db2.gz SRNVMRVULSFAPW-HOTGVXAUSA-N 1 1 356.470 2.251 50 0 FEAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000071751873 541770620 /nfs/dbraw/zinc/77/06/20/541770620.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 1 1 361.534 2.127 50 0 FEAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n[nH]1 ZINC000071751873 541770623 /nfs/dbraw/zinc/77/06/23/541770623.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 1 1 361.534 2.127 50 0 FEAAMO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)n[nH]1 ZINC000071751873 541770626 /nfs/dbraw/zinc/77/06/26/541770626.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 1 1 361.534 2.127 50 0 FEAAMO CC(C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071763906 541772217 /nfs/dbraw/zinc/77/22/17/541772217.db2.gz GYRZVALXLGBRLR-KRWDZBQOSA-N 1 1 361.461 2.150 50 0 FEAAMO Cc1nn(C)cc1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775887 541772232 /nfs/dbraw/zinc/77/22/32/541772232.db2.gz CGEAMTYZESXASW-GOSISDBHSA-N 1 1 373.545 2.027 50 0 FEAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072157075 541791524 /nfs/dbraw/zinc/79/15/24/541791524.db2.gz QOKBIFJXQZPTSX-CEWLAPEOSA-N 1 1 352.482 2.491 50 0 FEAAMO COc1ccccc1[C@@H]1CN(Cc2cnn(C)c2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072157075 541791527 /nfs/dbraw/zinc/79/15/27/541791527.db2.gz QOKBIFJXQZPTSX-CEWLAPEOSA-N 1 1 352.482 2.491 50 0 FEAAMO COC(=O)CCn1cc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072169689 541794938 /nfs/dbraw/zinc/79/49/38/541794938.db2.gz IVWDKCANXJTUML-UHFFFAOYSA-N 1 1 360.433 2.298 50 0 FEAAMO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000072168246 541795283 /nfs/dbraw/zinc/79/52/83/541795283.db2.gz HRWOSTWVTGSRSC-LJQANCHMSA-N 1 1 368.481 2.302 50 0 FEAAMO Nc1nc(CCC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000072410119 541806844 /nfs/dbraw/zinc/80/68/44/541806844.db2.gz RDCZHVXBCPEVDF-UHFFFAOYSA-N 1 1 370.522 2.360 50 0 FEAAMO Cn1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)ccc1=O ZINC000072412303 541808527 /nfs/dbraw/zinc/80/85/27/541808527.db2.gz NTPKTNXLSDBKRO-UHFFFAOYSA-N 1 1 351.450 2.048 50 0 FEAAMO CCc1[nH+]ccn1CC(=O)N(C)Cc1cnn(-c2cccc(OC)c2)c1 ZINC000072422556 541808880 /nfs/dbraw/zinc/80/88/80/541808880.db2.gz JRLIWHYXNOTTIV-UHFFFAOYSA-N 1 1 353.426 2.298 50 0 FEAAMO O=C1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCCCO ZINC000072425400 541810854 /nfs/dbraw/zinc/81/08/54/541810854.db2.gz WRTHJPXVPHYUNK-MAUKXSAKSA-N 1 1 356.470 2.148 50 0 FEAAMO O=C1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCCCO ZINC000072425400 541810856 /nfs/dbraw/zinc/81/08/56/541810856.db2.gz WRTHJPXVPHYUNK-MAUKXSAKSA-N 1 1 356.470 2.148 50 0 FEAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)co1 ZINC000072437911 541814484 /nfs/dbraw/zinc/81/44/84/541814484.db2.gz YKRSIQGKYHOGIX-MRXNPFEDSA-N 1 1 358.490 2.477 50 0 FEAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)co1 ZINC000072437911 541814488 /nfs/dbraw/zinc/81/44/88/541814488.db2.gz YKRSIQGKYHOGIX-MRXNPFEDSA-N 1 1 358.490 2.477 50 0 FEAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000072454478 541817183 /nfs/dbraw/zinc/81/71/83/541817183.db2.gz XSQGRLOGIIACDP-MRXNPFEDSA-N 1 1 363.550 2.387 50 0 FEAAMO O=C(c1ccc2n[nH]nc2c1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072474310 541818712 /nfs/dbraw/zinc/81/87/12/541818712.db2.gz JVLHZKIOVRDHEK-UHFFFAOYSA-N 1 1 361.449 2.273 50 0 FEAAMO O=C(c1ccc2[nH]nnc2c1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072474310 541818717 /nfs/dbraw/zinc/81/87/17/541818717.db2.gz JVLHZKIOVRDHEK-UHFFFAOYSA-N 1 1 361.449 2.273 50 0 FEAAMO O=C(c1ccc2[nH]nnc2c1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072474310 541818722 /nfs/dbraw/zinc/81/87/22/541818722.db2.gz JVLHZKIOVRDHEK-UHFFFAOYSA-N 1 1 361.449 2.273 50 0 FEAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N(Cc1nccs1)Cc1ccccc1 ZINC000072447351 541815826 /nfs/dbraw/zinc/81/58/26/541815826.db2.gz CPPUYVVXQISXNQ-QGZVFWFLSA-N 1 1 353.451 2.282 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCCN3C(=O)C3CC3)CC2)c1 ZINC000072480154 541821316 /nfs/dbraw/zinc/82/13/16/541821316.db2.gz YTVZSTKOTQYMKA-FQEVSTJZSA-N 1 1 369.509 2.430 50 0 FEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000010334567 204010470 /nfs/dbraw/zinc/01/04/70/204010470.db2.gz RHYRAWYKEUBKJD-INIZCTEOSA-N 1 1 362.451 2.039 50 0 FEAAMO Cc1c(C(=O)N2CCC[N@@H+](C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000002633098 204047230 /nfs/dbraw/zinc/04/72/30/204047230.db2.gz PLLTUDWFNHZJLY-UHFFFAOYSA-N 1 1 374.510 2.271 50 0 FEAAMO Cc1c(C(=O)N2CCC[N@H+](C)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000002633098 204047236 /nfs/dbraw/zinc/04/72/36/204047236.db2.gz PLLTUDWFNHZJLY-UHFFFAOYSA-N 1 1 374.510 2.271 50 0 FEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)C1 ZINC000004688152 204155892 /nfs/dbraw/zinc/15/58/92/204155892.db2.gz JWWRFKDITYTWQT-QGZVFWFLSA-N 1 1 370.497 2.251 50 0 FEAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261694 204129539 /nfs/dbraw/zinc/12/95/39/204129539.db2.gz KMDXQYUKMCGYRY-IBGZPJMESA-N 1 1 359.514 2.126 50 0 FEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NC3CCCC3)s2)CC1 ZINC000007006089 204286166 /nfs/dbraw/zinc/28/61/66/204286166.db2.gz YIRQZYQBTHRJDW-UHFFFAOYSA-N 1 1 374.514 2.143 50 0 FEAAMO CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007987339 204312254 /nfs/dbraw/zinc/31/22/54/204312254.db2.gz BBUSFXMKFVVJCZ-LJQANCHMSA-N 1 1 372.490 2.236 50 0 FEAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC000009337660 204363029 /nfs/dbraw/zinc/36/30/29/204363029.db2.gz XGFMXZNUUIYLNZ-UHFFFAOYSA-N 1 1 353.422 2.269 50 0 FEAAMO C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000020547439 204730015 /nfs/dbraw/zinc/73/00/15/204730015.db2.gz SWAVBAKWHMVXME-KRWDZBQOSA-N 1 1 359.470 2.122 50 0 FEAAMO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000022038567 204768432 /nfs/dbraw/zinc/76/84/32/204768432.db2.gz SVHIHORYHJCBMG-RTBURBONSA-N 1 1 368.905 2.014 50 0 FEAAMO O=C1N[C@]2(CCSC2)C(=O)N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000030543306 204910614 /nfs/dbraw/zinc/91/06/14/204910614.db2.gz UARSHYRNWPVXLI-IBGZPJMESA-N 1 1 359.495 2.326 50 0 FEAAMO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036104381 205005808 /nfs/dbraw/zinc/00/58/08/205005808.db2.gz FARRYPXWBTUJMB-OAQYLSRUSA-N 1 1 364.530 2.163 50 0 FEAAMO CC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036252877 205008769 /nfs/dbraw/zinc/00/87/69/205008769.db2.gz VQEMUVPNWYRERQ-FQEVSTJZSA-N 1 1 357.498 2.068 50 0 FEAAMO CCn1cc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)n1 ZINC000039388025 205044670 /nfs/dbraw/zinc/04/46/70/205044670.db2.gz YBFMHFNZAVYXCA-HXUWFJFHSA-N 1 1 360.477 2.419 50 0 FEAAMO CCn1cc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)n1 ZINC000039388025 205044673 /nfs/dbraw/zinc/04/46/73/205044673.db2.gz YBFMHFNZAVYXCA-HXUWFJFHSA-N 1 1 360.477 2.419 50 0 FEAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnn(CC)c2)C[C@H]1CCO ZINC000039379931 205045067 /nfs/dbraw/zinc/04/50/67/205045067.db2.gz XDDKPHOURTVLQI-HXUWFJFHSA-N 1 1 372.513 2.371 50 0 FEAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnn(CC)c2)C[C@H]1CCO ZINC000039379931 205045071 /nfs/dbraw/zinc/04/50/71/205045071.db2.gz XDDKPHOURTVLQI-HXUWFJFHSA-N 1 1 372.513 2.371 50 0 FEAAMO COc1cc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039515558 205045641 /nfs/dbraw/zinc/04/56/41/205045641.db2.gz LOBBIZUACNQMOD-QGZVFWFLSA-N 1 1 362.470 2.235 50 0 FEAAMO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(CCNC(=O)c2ccco2)CC1 ZINC000040105820 205055605 /nfs/dbraw/zinc/05/56/05/205055605.db2.gz IJAPUVDWEHFAHB-ZWKOTPCHSA-N 1 1 363.502 2.222 50 0 FEAAMO CC(C)c1noc(CCCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000046744969 205139098 /nfs/dbraw/zinc/13/90/98/205139098.db2.gz TZRKUGDWLNAYRM-INIZCTEOSA-N 1 1 364.490 2.229 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCNC(=O)c2cccs2)ccn1 ZINC000047013340 205141136 /nfs/dbraw/zinc/14/11/36/205141136.db2.gz WNSZMNSANRKOHP-UHFFFAOYSA-N 1 1 369.450 2.074 50 0 FEAAMO CC(C)C[N@H+]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000048325995 205157688 /nfs/dbraw/zinc/15/76/88/205157688.db2.gz JFQBLTNIYZRVON-MRXNPFEDSA-N 1 1 361.486 2.368 50 0 FEAAMO Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)o2)cc1 ZINC000046054917 205131051 /nfs/dbraw/zinc/13/10/51/205131051.db2.gz RYMIAHTZIZSBSQ-QGZVFWFLSA-N 1 1 370.453 2.116 50 0 FEAAMO Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)o2)cc1 ZINC000046054917 205131055 /nfs/dbraw/zinc/13/10/55/205131055.db2.gz RYMIAHTZIZSBSQ-QGZVFWFLSA-N 1 1 370.453 2.116 50 0 FEAAMO Cc1cccc(OCC[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)c1 ZINC000048375401 205162188 /nfs/dbraw/zinc/16/21/88/205162188.db2.gz DARILLQIYNHILK-UHFFFAOYSA-N 1 1 359.514 2.394 50 0 FEAAMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000085468228 205170832 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COc1cc(CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000058077896 205249881 /nfs/dbraw/zinc/24/98/81/205249881.db2.gz ABZADUCXWJAAKS-OAHLLOKOSA-N 1 1 364.486 2.492 50 0 FEAAMO CC(C)C(=O)Nc1nc(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000058203083 205260465 /nfs/dbraw/zinc/26/04/65/205260465.db2.gz FTHYDKQDWBRGNO-ZDUSSCGKSA-N 1 1 352.504 2.127 50 0 FEAAMO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccco1 ZINC000058245363 205267774 /nfs/dbraw/zinc/26/77/74/205267774.db2.gz BXQJDQQSWKMHSQ-INIZCTEOSA-N 1 1 371.437 2.300 50 0 FEAAMO O[C@@]1(C[NH2+]CCc2cnn(-c3ccccc3)c2)CCCN2CCCC[C@@H]21 ZINC000063871728 205295225 /nfs/dbraw/zinc/29/52/25/205295225.db2.gz JXTPEGPNBGMUKV-NHCUHLMSSA-N 1 1 354.498 2.384 50 0 FEAAMO CCCS(=O)(=O)N1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063885196 205295983 /nfs/dbraw/zinc/29/59/83/205295983.db2.gz WAMSJVYBDSYQIC-UHFFFAOYSA-N 1 1 369.535 2.031 50 0 FEAAMO COc1ccc(C[N@@H+](C)Cc2cn(CCN3CCOCC3)nc2C)cc1 ZINC000065458409 205351601 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O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000011999382 539541298 /nfs/dbraw/zinc/54/12/98/539541298.db2.gz CDHBWQSIMBUIIJ-AWEZNQCLSA-N 1 1 364.423 2.124 50 0 FEAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000012486548 539562057 /nfs/dbraw/zinc/56/20/57/539562057.db2.gz YKXBMVNXPRVWSY-QGZVFWFLSA-N 1 1 372.465 2.266 50 0 FEAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3nonc3C)C2)cc1 ZINC000012718860 539570705 /nfs/dbraw/zinc/57/07/05/539570705.db2.gz BWFFWCZVPPIVQV-QGZVFWFLSA-N 1 1 372.469 2.413 50 0 FEAAMO Cc1cc(C)c(C(N)=O)c(N2CCC(C(=O)NCc3ccccc3)CC2)[nH+]1 ZINC000012785116 539573809 /nfs/dbraw/zinc/57/38/09/539573809.db2.gz OSLWEGLDOXSKIP-UHFFFAOYSA-N 1 1 366.465 2.330 50 0 FEAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000012791418 539574842 /nfs/dbraw/zinc/57/48/42/539574842.db2.gz ICFPQNWEBFIJPI-JTQLQIEISA-N 1 1 359.348 2.110 50 0 FEAAMO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000012836940 539576926 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COCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000014975772 539607526 /nfs/dbraw/zinc/60/75/26/539607526.db2.gz ROBHQPOGBNQIFD-LJQANCHMSA-N 1 1 350.434 2.295 50 0 FEAAMO COc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000014993018 539609663 /nfs/dbraw/zinc/60/96/63/539609663.db2.gz DJBUHGVQRHANTQ-OAHLLOKOSA-N 1 1 371.485 2.178 50 0 FEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677576 539621616 /nfs/dbraw/zinc/62/16/16/539621616.db2.gz LISPIOVVWKMXHS-HNNXBMFYSA-N 1 1 368.481 2.337 50 0 FEAAMO COc1cc(COC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000015911987 539624867 /nfs/dbraw/zinc/62/48/67/539624867.db2.gz NSGAMEJUVFZLSE-GOEBONIOSA-N 1 1 353.459 2.464 50 0 FEAAMO Cn1cc(C[N@@H+]2CCc3n[nH]c([C@H]4COc5ccccc5O4)c3C2)cn1 ZINC000019939393 539671802 /nfs/dbraw/zinc/67/18/02/539671802.db2.gz UPPKOMCQRGXZDT-GOSISDBHSA-N 1 1 351.410 2.214 50 0 FEAAMO Cn1cc(C[N@H+]2CCc3n[nH]c([C@H]4COc5ccccc5O4)c3C2)cn1 ZINC000019939393 539671804 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CC(=O)NCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000030029885 539873213 /nfs/dbraw/zinc/87/32/13/539873213.db2.gz NAEPQJVJNCGJLQ-FQEVSTJZSA-N 1 1 351.450 2.452 50 0 FEAAMO CCOC(=O)Nc1cccc(C(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000032828506 539955085 /nfs/dbraw/zinc/95/50/85/539955085.db2.gz LVYRPGSSDHNXAU-KKUMJFAQSA-N 1 1 363.458 2.483 50 0 FEAAMO Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1C ZINC000035360375 539981257 /nfs/dbraw/zinc/98/12/57/539981257.db2.gz IFJRSYFVCMLTAZ-KXBFYZLASA-N 1 1 351.450 2.461 50 0 FEAAMO Cc1[nH+]ccn1CCNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000222979256 209744511 /nfs/dbraw/zinc/74/45/11/209744511.db2.gz IXEPRTSZCVFRSH-ZDUSSCGKSA-N 1 1 367.375 2.248 50 0 FEAAMO Cc1nc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)c(C)c(C)[nH+]1 ZINC000222589455 209730226 /nfs/dbraw/zinc/73/02/26/209730226.db2.gz MTEFOAGXOHQCDS-IAGOWNOFSA-N 1 1 356.426 2.149 50 0 FEAAMO Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000047226905 540297750 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O=C(CCc1cc2n(n1)CC[N@H+](C1Cc3ccccc3C1)C2)N1CCCC1 ZINC000091807968 542826445 /nfs/dbraw/zinc/82/64/45/542826445.db2.gz AZDJYNLJPPQRQF-UHFFFAOYSA-N 1 1 364.493 2.421 50 0 FEAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000092660702 542879446 /nfs/dbraw/zinc/87/94/46/542879446.db2.gz DUFOIEYSSYRKAN-AWEZNQCLSA-N 1 1 370.453 2.325 50 0 FEAAMO C[NH+]1CCN(C(=O)CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)CC1 ZINC000093173500 542914566 /nfs/dbraw/zinc/91/45/66/542914566.db2.gz VCMARYAMBQAELJ-KRWDZBQOSA-N 1 1 365.905 2.266 50 0 FEAAMO CC(=O)c1ccc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071775645 136141123 /nfs/dbraw/zinc/14/11/23/136141123.db2.gz NHTPSDXRKIKARD-QGZVFWFLSA-N 1 1 370.497 2.244 50 0 FEAAMO [NH3+]CCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072133195 136142439 /nfs/dbraw/zinc/14/24/39/136142439.db2.gz XXDHKVWEIJCDQT-GOSISDBHSA-N 1 1 364.921 2.192 50 0 FEAAMO CC[N@H+]1CCC[C@@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000095961966 542984687 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CCCc1[nH]nc2c1C[N@H+](Cc1cnc(NC[C@@H]3CCCO3)nc1)CC2 ZINC000019745829 521464248 /nfs/dbraw/zinc/46/42/48/521464248.db2.gz IZOQBHLMBUTBLL-HNNXBMFYSA-N 1 1 356.474 2.301 50 0 FEAAMO CCCc1[nH]nc2c1C[N@@H+](Cc1cnc(NC[C@@H]3CCCO3)nc1)CC2 ZINC000019745829 521464256 /nfs/dbraw/zinc/46/42/56/521464256.db2.gz IZOQBHLMBUTBLL-HNNXBMFYSA-N 1 1 356.474 2.301 50 0 FEAAMO COCC[N@H+](C)CC(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082146754 523574757 /nfs/dbraw/zinc/57/47/57/523574757.db2.gz VFYRONHALHBABY-IBGZPJMESA-N 1 1 370.497 2.216 50 0 FEAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082146754 523574767 /nfs/dbraw/zinc/57/47/67/523574767.db2.gz VFYRONHALHBABY-IBGZPJMESA-N 1 1 370.497 2.216 50 0 FEAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1F ZINC000082092781 524029657 /nfs/dbraw/zinc/02/96/57/524029657.db2.gz FTLGQSZKJUVHQC-HXUWFJFHSA-N 1 1 364.461 2.421 50 0 FEAAMO Cc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 ZINC000020916688 525146250 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Cc1cnc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000048358749 570950584 /nfs/dbraw/zinc/95/05/84/570950584.db2.gz IMMHWZBPWWCOTM-HOTGVXAUSA-N 1 1 354.454 2.324 50 0 FEAAMO CN(Cc1cc(-c2ccncc2)no1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426440310 571135872 /nfs/dbraw/zinc/13/58/72/571135872.db2.gz QLCBYYSDKACTES-ZDUSSCGKSA-N 1 1 352.398 2.249 50 0 FEAAMO COc1c[nH]c(C[N@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1=O ZINC000426380175 571217124 /nfs/dbraw/zinc/21/71/24/571217124.db2.gz VIIKFBLOKJSHEB-FFZOFVMBSA-N 1 1 362.470 2.322 50 0 FEAAMO OCCn1ccc([C@H]2CCC[N@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)n1 ZINC000426386974 571217964 /nfs/dbraw/zinc/21/79/64/571217964.db2.gz WWEUZRUHRZKFDI-HNNXBMFYSA-N 1 1 371.416 2.444 50 0 FEAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc(F)c4)o3)C2)n1 ZINC000426386974 571217965 /nfs/dbraw/zinc/21/79/65/571217965.db2.gz WWEUZRUHRZKFDI-HNNXBMFYSA-N 1 1 371.416 2.444 50 0 FEAAMO CN(C[C@]1(C)CC[N@@H+](C)C1)C(=O)c1cccc(-c2cnc3ncnn3c2)c1 ZINC000584888171 571314145 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C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000014124617 539596058 /nfs/dbraw/zinc/59/60/58/539596058.db2.gz CZWNDOCSBWDGDC-UHFFFAOYSA-N 1 1 361.423 2.299 50 0 FEAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CCCSC)C2)cc1 ZINC000015063824 539610132 /nfs/dbraw/zinc/61/01/32/539610132.db2.gz NWXGAMRXBMENCM-HNNXBMFYSA-N 1 1 372.556 2.439 50 0 FEAAMO CCc1ccc2c(C[NH+]3CCN(c4ncccn4)CC3)cc(=O)oc2c1 ZINC000016483336 539632749 /nfs/dbraw/zinc/63/27/49/539632749.db2.gz OAVONOAJBZZCKV-UHFFFAOYSA-N 1 1 350.422 2.468 50 0 FEAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CCC(O)CC2)nc1 ZINC000019112572 539651873 /nfs/dbraw/zinc/65/18/73/539651873.db2.gz CPRLWXUSOMKRPW-UHFFFAOYSA-N 1 1 371.485 2.183 50 0 FEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 ZINC000019359997 539656333 /nfs/dbraw/zinc/65/63/33/539656333.db2.gz FYTITWWUAXVSGM-OAHLLOKOSA-N 1 1 358.467 2.266 50 0 FEAAMO O=C(Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2)Nc1ccccc1 ZINC000021658474 539685592 /nfs/dbraw/zinc/68/55/92/539685592.db2.gz 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ZINC000023367257 539713280 /nfs/dbraw/zinc/71/32/80/539713280.db2.gz XTXCOEJMABFKIS-GOSISDBHSA-N 1 1 355.482 2.040 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1Cl ZINC000025181643 539751163 /nfs/dbraw/zinc/75/11/63/539751163.db2.gz NYVHSUFXMNDJKC-KRWDZBQOSA-N 1 1 370.844 2.348 50 0 FEAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2Cc2ccccc2)NC(=O)N[C@@H]1C ZINC000025440418 539760022 /nfs/dbraw/zinc/76/00/22/539760022.db2.gz SAAXFIUAGUJFQO-GDBMZVCRSA-N 1 1 357.454 2.212 50 0 FEAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000028278897 539829622 /nfs/dbraw/zinc/82/96/22/539829622.db2.gz JUKWDFFUCBWRPL-KRWDZBQOSA-N 1 1 360.479 2.420 50 0 FEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 ZINC000028936950 539840489 /nfs/dbraw/zinc/84/04/89/539840489.db2.gz AKWWTOCUQRGDJB-HZPDHXFCSA-N 1 1 373.497 2.431 50 0 FEAAMO Cn1cc(C(=O)NC2CC[NH+](Cc3nc4ccccc4s3)CC2)cn1 ZINC000052903637 540498891 /nfs/dbraw/zinc/49/88/91/540498891.db2.gz OFIPMMLTEQOWPT-UHFFFAOYSA-N 1 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ZINC000299754359 553610574 /nfs/dbraw/zinc/61/05/74/553610574.db2.gz CQSDLWHQRFEFJJ-SCTDSRPQSA-N 1 1 373.497 2.351 50 0 FEAAMO Cn1ncc(-c2ccccc2)c1NC(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000299756691 553611075 /nfs/dbraw/zinc/61/10/75/553611075.db2.gz DQEKEJAIARWTHI-MRXNPFEDSA-N 1 1 357.458 2.055 50 0 FEAAMO O=C(NCCN1CCCOC1=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299765334 553612315 /nfs/dbraw/zinc/61/23/15/553612315.db2.gz FOUHCKHRDYEWCV-KSZLIROESA-N 1 1 357.454 2.171 50 0 FEAAMO COCC[N@H+]1CC[C@@H](CNC(=O)Nc2c(-c3ccccc3)c(C)nn2C)C1 ZINC000299768236 553612578 /nfs/dbraw/zinc/61/25/78/553612578.db2.gz JFUFDYSQBSUXBE-INIZCTEOSA-N 1 1 371.485 2.485 50 0 FEAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCc1ccccn1)C2 ZINC000299777295 553613695 /nfs/dbraw/zinc/61/36/95/553613695.db2.gz MSOSQVWUOFBNMH-OAHLLOKOSA-N 1 1 355.438 2.380 50 0 FEAAMO C[N@H+]1CCCN(CC(=O)NCCc2nc(-c3ccccc3)cs2)CC1 ZINC000299780655 553614007 /nfs/dbraw/zinc/61/40/07/553614007.db2.gz BJDPFJPODGVALY-UHFFFAOYSA-N 1 1 358.511 2.106 50 0 FEAAMO COc1ccc(F)c(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)c1 ZINC000299784120 553614462 /nfs/dbraw/zinc/61/44/62/553614462.db2.gz WNGSGPQNXZNAFZ-NZSAHSFTSA-N 1 1 353.434 2.355 50 0 FEAAMO Cc1nc2ccc(CC(=O)N3CCCO[C@H](C[NH+]4CCCC4)C3)cc2[nH]1 ZINC000299793903 553615981 /nfs/dbraw/zinc/61/59/81/553615981.db2.gz INTHLKKILQJKFS-QGZVFWFLSA-N 1 1 356.470 2.127 50 0 FEAAMO O=C(CN1Cc2ccccc2C1)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299795556 553616002 /nfs/dbraw/zinc/61/60/02/553616002.db2.gz MHTJWXKOCYWYIB-HXUWFJFHSA-N 1 1 365.477 2.489 50 0 FEAAMO Cn1nc2cccc(NC(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)c2n1 ZINC000299799340 553616201 /nfs/dbraw/zinc/61/62/01/553616201.db2.gz FTMTZXZYHDXFKK-QGZVFWFLSA-N 1 1 350.426 2.489 50 0 FEAAMO Cn1nc2cccc(NC(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c2n1 ZINC000299799340 553616204 /nfs/dbraw/zinc/61/62/04/553616204.db2.gz FTMTZXZYHDXFKK-QGZVFWFLSA-N 1 1 350.426 2.489 50 0 FEAAMO CN1Cc2ccccc2C[C@H]1C(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299799971 553616412 /nfs/dbraw/zinc/61/64/12/553616412.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 1 1 364.493 2.173 50 0 FEAAMO CN1Cc2ccccc2C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299799971 553616414 /nfs/dbraw/zinc/61/64/14/553616414.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 1 1 364.493 2.173 50 0 FEAAMO O=S(=O)(c1ccccn1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000328821011 553827845 /nfs/dbraw/zinc/82/78/45/553827845.db2.gz QFLGFOSNEDEFPW-UHFFFAOYSA-N 1 1 357.479 2.293 50 0 FEAAMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375282234 558003913 /nfs/dbraw/zinc/00/39/13/558003913.db2.gz YMECVQLFXOYZGL-FQEVSTJZSA-N 1 1 359.470 2.266 50 0 FEAAMO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375381779 558018006 /nfs/dbraw/zinc/01/80/06/558018006.db2.gz UCGDWXVMMJVQHT-AWEZNQCLSA-N 1 1 369.469 2.284 50 0 FEAAMO CCc1nnc(CN(CC)C(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)o1 ZINC000426502858 559736064 /nfs/dbraw/zinc/73/60/64/559736064.db2.gz HDAKCAGSFYTMKJ-QGZVFWFLSA-N 1 1 360.414 2.012 50 0 FEAAMO C[NH+](C)[C@H](C(=O)NCc1cnc2c(c1)CCC2)c1ccc2c(c1)OCO2 ZINC000426521543 559736691 /nfs/dbraw/zinc/73/66/91/559736691.db2.gz WQSZQCMGDIFTDS-IBGZPJMESA-N 1 1 353.422 2.218 50 0 FEAAMO CNc1nc(N2CCCOc3c(cccc3OC)C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426615453 559739060 /nfs/dbraw/zinc/73/90/60/559739060.db2.gz KOTIXJMPRSPUAW-OAHLLOKOSA-N 1 1 370.453 2.820 50 0 FEAAMO CC(C)Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc(N)n1 ZINC000426734028 559741106 /nfs/dbraw/zinc/74/11/06/559741106.db2.gz ONCFFOCHGDHOCO-NRFANRHFSA-N 1 1 371.529 2.595 50 0 FEAAMO CN(C(=O)c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000534649211 562539095 /nfs/dbraw/zinc/53/90/95/562539095.db2.gz PPHPOECXLNMXAT-QGZVFWFLSA-N 1 1 364.449 2.498 50 0 FEAAMO CN(C(=O)c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000534649211 562539096 /nfs/dbraw/zinc/53/90/96/562539096.db2.gz PPHPOECXLNMXAT-QGZVFWFLSA-N 1 1 364.449 2.498 50 0 FEAAMO CN(C(=O)c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000534649211 562539097 /nfs/dbraw/zinc/53/90/97/562539097.db2.gz PPHPOECXLNMXAT-QGZVFWFLSA-N 1 1 364.449 2.498 50 0 FEAAMO C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000095851924 568478656 /nfs/dbraw/zinc/47/86/56/568478656.db2.gz NTFKWGXXJRSMSD-INIZCTEOSA-N 1 1 353.466 2.477 50 0 FEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000409414066 570588650 /nfs/dbraw/zinc/58/86/50/570588650.db2.gz NCKNIIOBZSZSPS-CRAIPNDOSA-N 1 1 360.502 2.252 50 0 FEAAMO OCCNc1nc(N2CCC(c3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426383825 571132682 /nfs/dbraw/zinc/13/26/82/571132682.db2.gz LBJBRBLHQIQNGR-SFHVURJKSA-N 1 1 368.481 2.769 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](O)C1 ZINC000426358298 571214672 /nfs/dbraw/zinc/21/46/72/571214672.db2.gz KORYKLRYRUCXMX-QZTJIDSGSA-N 1 1 361.417 2.104 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)[C@H](O)C1 ZINC000426358298 571214673 /nfs/dbraw/zinc/21/46/73/571214673.db2.gz KORYKLRYRUCXMX-QZTJIDSGSA-N 1 1 361.417 2.104 50 0 FEAAMO C[NH+]1CCN(CC2(CNC(=O)c3cnoc3-c3ccccc3)CC2)CC1 ZINC000426361432 571215496 /nfs/dbraw/zinc/21/54/96/571215496.db2.gz VPVQSAYRTPZXKG-UHFFFAOYSA-N 1 1 354.454 2.099 50 0 FEAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000426425480 571223902 /nfs/dbraw/zinc/22/39/02/571223902.db2.gz ROVFENYURIAMGU-UHFFFAOYSA-N 1 1 364.471 2.369 50 0 FEAAMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCCO1 ZINC000066841831 670448313 /nfs/dbraw/zinc/44/83/13/670448313.db2.gz BQVZJCANTWDPHD-MRXNPFEDSA-N 1 1 373.280 2.489 50 0 FEAAMO O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1COCC[NH2+]1 ZINC000168556350 672321152 /nfs/dbraw/zinc/32/11/52/672321152.db2.gz SCFSQXPGBIVDOO-INIZCTEOSA-N 1 1 372.296 2.062 50 0 FEAAMO COc1cccc(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)c1Cl ZINC000888101393 688546440 /nfs/dbraw/zinc/54/64/40/688546440.db2.gz QUORQTFWRIAOCG-KRWDZBQOSA-N 1 1 352.862 2.200 50 0 FEAAMO COC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000000842599 539333970 /nfs/dbraw/zinc/33/39/70/539333970.db2.gz MFMZAQNNEGTKTG-QGZVFWFLSA-N 1 1 352.390 2.237 50 0 FEAAMO COC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000000842599 539333975 /nfs/dbraw/zinc/33/39/75/539333975.db2.gz MFMZAQNNEGTKTG-QGZVFWFLSA-N 1 1 352.390 2.237 50 0 FEAAMO CCOC(=O)C1CC[NH+](CC(C)(C)NS(=O)(=O)c2ccccc2)CC1 ZINC000003189677 539360923 /nfs/dbraw/zinc/36/09/23/539360923.db2.gz VOMCLQFPGCWATF-UHFFFAOYSA-N 1 1 368.499 2.019 50 0 FEAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)Cn2ccc3ccccc32)C1 ZINC000003999815 539374434 /nfs/dbraw/zinc/37/44/34/539374434.db2.gz IFMBCKPKASNHBO-UHOSZYNNSA-N 1 1 363.461 2.283 50 0 biogenic FEAAMO COc1c2c(c(CNC(=O)c3ccccc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000006624655 539431798 /nfs/dbraw/zinc/43/17/98/539431798.db2.gz XWQJEBPLPSCFIL-UHFFFAOYSA-N 1 1 354.406 2.342 50 0 FEAAMO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000010331181 539516056 /nfs/dbraw/zinc/51/60/56/539516056.db2.gz SRPLQEXKOPQLGV-ZDUSSCGKSA-N 1 1 365.817 2.299 50 0 FEAAMO CNC(=O)[C@H]1CN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2)c2ccccc2O1 ZINC000010101876 539512301 /nfs/dbraw/zinc/51/23/01/539512301.db2.gz BMFAZEDIKAQUFV-DNVCBOLYSA-N 1 1 367.449 2.220 50 0 FEAAMO CNC(=O)[C@H]1CN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c2ccccc2O1 ZINC000010101876 539512308 /nfs/dbraw/zinc/51/23/08/539512308.db2.gz BMFAZEDIKAQUFV-DNVCBOLYSA-N 1 1 367.449 2.220 50 0 FEAAMO COc1ccc(S(=O)(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000010091369 539512840 /nfs/dbraw/zinc/51/28/40/539512840.db2.gz WQFBEJBIBDZNJD-GOSISDBHSA-N 1 1 364.467 2.285 50 0 FEAAMO CC(C)[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000011036674 539523630 /nfs/dbraw/zinc/52/36/30/539523630.db2.gz HLBSFQYUJFQTNT-LJQANCHMSA-N 1 1 367.449 2.177 50 0 FEAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1 ZINC000012584405 539567102 /nfs/dbraw/zinc/56/71/02/539567102.db2.gz YXVXBNRIYFALHM-QGZVFWFLSA-N 1 1 369.465 2.395 50 0 FEAAMO COC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013494750 539587861 /nfs/dbraw/zinc/58/78/61/539587861.db2.gz OAYFOSOJKZRNMP-FZKQIMNGSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013494750 539587866 /nfs/dbraw/zinc/58/78/66/539587866.db2.gz OAYFOSOJKZRNMP-FZKQIMNGSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013494750 539587871 /nfs/dbraw/zinc/58/78/71/539587871.db2.gz OAYFOSOJKZRNMP-FZKQIMNGSA-N 1 1 373.453 2.351 50 0 FEAAMO COC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013494750 539587875 /nfs/dbraw/zinc/58/78/75/539587875.db2.gz OAYFOSOJKZRNMP-FZKQIMNGSA-N 1 1 373.453 2.351 50 0 FEAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000014119657 539595989 /nfs/dbraw/zinc/59/59/89/539595989.db2.gz BNRSJGVGAJHUJW-UHFFFAOYSA-N 1 1 353.422 2.158 50 0 FEAAMO O=C(COc1cccc(F)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014181287 539598028 /nfs/dbraw/zinc/59/80/28/539598028.db2.gz OUQZRSCNPZRVDU-UHFFFAOYSA-N 1 1 358.413 2.353 50 0 FEAAMO COc1cccc(CCC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000015073330 539611572 /nfs/dbraw/zinc/61/15/72/539611572.db2.gz GHGKVNGPXSSTIM-GOSISDBHSA-N 1 1 359.514 2.303 50 0 FEAAMO COc1cccc(CCC(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)c1 ZINC000015073330 539611574 /nfs/dbraw/zinc/61/15/74/539611574.db2.gz GHGKVNGPXSSTIM-GOSISDBHSA-N 1 1 359.514 2.303 50 0 FEAAMO C[NH+]1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 ZINC000019359996 539655976 /nfs/dbraw/zinc/65/59/76/539655976.db2.gz FYTITWWUAXVSGM-HNNXBMFYSA-N 1 1 358.467 2.266 50 0 FEAAMO CC(C)C[N@H+]1CCN(Cc2sc(N(C)C)nc2Cl)C[C@@H]1CCO ZINC000019792678 539669221 /nfs/dbraw/zinc/66/92/21/539669221.db2.gz WOQMEYOTMWVGCC-ZDUSSCGKSA-N 1 1 360.955 2.387 50 0 FEAAMO C[C@@H]1C[NH+](C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000020102216 539672609 /nfs/dbraw/zinc/67/26/09/539672609.db2.gz JMVYXOPKPKIJOX-HZPDHXFCSA-N 1 1 352.500 2.090 50 0 FEAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000020256903 539673165 /nfs/dbraw/zinc/67/31/65/539673165.db2.gz XTJNADRCIKHDHR-HXUWFJFHSA-N 1 1 372.557 2.376 50 0 FEAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-n4cncn4)cc3)sc2C1 ZINC000021295588 539682148 /nfs/dbraw/zinc/68/21/48/539682148.db2.gz FSEIBTNQTQANEW-UHFFFAOYSA-N 1 1 354.439 2.354 50 0 FEAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-n4cncn4)cc3)sc2C1 ZINC000021295588 539682149 /nfs/dbraw/zinc/68/21/49/539682149.db2.gz FSEIBTNQTQANEW-UHFFFAOYSA-N 1 1 354.439 2.354 50 0 FEAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000022908120 539702670 /nfs/dbraw/zinc/70/26/70/539702670.db2.gz QYRXKHQSXNERMB-QGZVFWFLSA-N 1 1 369.490 2.242 50 0 FEAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000022908120 539702672 /nfs/dbraw/zinc/70/26/72/539702672.db2.gz QYRXKHQSXNERMB-QGZVFWFLSA-N 1 1 369.490 2.242 50 0 FEAAMO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000024675376 539738115 /nfs/dbraw/zinc/73/81/15/539738115.db2.gz NRPJKZQGTHAPMJ-UHFFFAOYSA-N 1 1 374.529 2.153 50 0 FEAAMO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000024675376 539738119 /nfs/dbraw/zinc/73/81/19/539738119.db2.gz NRPJKZQGTHAPMJ-UHFFFAOYSA-N 1 1 374.529 2.153 50 0 FEAAMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000024771695 539740765 /nfs/dbraw/zinc/74/07/65/539740765.db2.gz SMNCDECZFPWUSB-GFCCVEGCSA-N 1 1 361.364 2.082 50 0 FEAAMO CC(C)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000032934754 539960468 /nfs/dbraw/zinc/96/04/68/539960468.db2.gz PUEAJDDVIXPLAV-UHFFFAOYSA-N 1 1 371.403 2.424 50 0 FEAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccnc1-n1cncn1 ZINC000040094706 540006365 /nfs/dbraw/zinc/00/63/65/540006365.db2.gz BUWPXMTVMPMLFV-UHFFFAOYSA-N 1 1 364.453 2.433 50 0 FEAAMO NC(=O)C[N@@H+]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000054389055 540587918 /nfs/dbraw/zinc/58/79/18/540587918.db2.gz FGSYCEUAXREQNC-UHFFFAOYSA-N 1 1 367.478 2.356 50 0 FEAAMO NC(=O)C[N@H+]1CCCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000054389055 540587922 /nfs/dbraw/zinc/58/79/22/540587922.db2.gz FGSYCEUAXREQNC-UHFFFAOYSA-N 1 1 367.478 2.356 50 0 FEAAMO CC[C@@H](C)Oc1c(C[NH+]2CCC(NS(C)(=O)=O)CC2)cccc1OC ZINC000055152795 540631422 /nfs/dbraw/zinc/63/14/22/540631422.db2.gz HWKYYDKMFZCSJT-CQSZACIVSA-N 1 1 370.515 2.386 50 0 FEAAMO Cc1nc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)cs1 ZINC000055166832 540632094 /nfs/dbraw/zinc/63/20/94/540632094.db2.gz OGTDQSZTTPHPDE-SFHVURJKSA-N 1 1 351.516 2.475 50 0 FEAAMO COc1ccc(N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000056167155 540709275 /nfs/dbraw/zinc/70/92/75/540709275.db2.gz IRKJRHQIWUVLPN-INIZCTEOSA-N 1 1 354.454 2.235 50 0 FEAAMO COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000058167833 540830659 /nfs/dbraw/zinc/83/06/59/540830659.db2.gz HEIBFLSRIYLURG-MRXNPFEDSA-N 1 1 367.449 2.440 50 0 FEAAMO CSc1ncccc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000058161481 540830679 /nfs/dbraw/zinc/83/06/79/540830679.db2.gz 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COc1ccc2[nH]c(C(=O)N3CCC[N@@H+](C)C4(CCN(C)CC4)C3)cc2c1 ZINC000067695120 541500515 /nfs/dbraw/zinc/50/05/15/541500515.db2.gz SOHJDBMIGLYXRB-UHFFFAOYSA-N 1 1 370.497 2.419 50 0 FEAAMO COc1ccc2[nH]c(C(=O)N3CCCN(C)C4(CC[NH+](C)CC4)C3)cc2c1 ZINC000067695120 541500518 /nfs/dbraw/zinc/50/05/18/541500518.db2.gz SOHJDBMIGLYXRB-UHFFFAOYSA-N 1 1 370.497 2.419 50 0 FEAAMO Cc1[nH+]ccn1CCNC(=O)c1cc(CN(C)Cc2ccccc2)on1 ZINC000067713621 541504084 /nfs/dbraw/zinc/50/40/84/541504084.db2.gz VBSIPMJYWQFPFF-UHFFFAOYSA-N 1 1 353.426 2.242 50 0 FEAAMO CN1CCC2(CC1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCC[N@H+]2C ZINC000067754308 541508617 /nfs/dbraw/zinc/50/86/17/541508617.db2.gz VJBGRQSDNIOTON-UHFFFAOYSA-N 1 1 367.497 2.319 50 0 FEAAMO CN1CCCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC12CC[NH+](C)CC2 ZINC000067754308 541508620 /nfs/dbraw/zinc/50/86/20/541508620.db2.gz VJBGRQSDNIOTON-UHFFFAOYSA-N 1 1 367.497 2.319 50 0 FEAAMO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)on1 ZINC000067818313 541517775 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C[N@@H+](CCO)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000071575700 541768350 /nfs/dbraw/zinc/76/83/50/541768350.db2.gz MOHSQIWUCCWLDG-UHFFFAOYSA-N 1 1 350.488 2.226 50 0 FEAAMO CC(C)[C@@H]1CN(c2cc(N)[nH+]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071753768 541770725 /nfs/dbraw/zinc/77/07/25/541770725.db2.gz CWNDEZZQFUMXKF-INIZCTEOSA-N 1 1 357.433 2.461 50 0 FEAAMO COc1cccc([C@@H]2CN(C(=O)c3cc(C)[nH]n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000071762132 541770885 /nfs/dbraw/zinc/77/08/85/541770885.db2.gz PCXHBBHSMWBVPG-DFQSSKMNSA-N 1 1 366.465 2.429 50 0 FEAAMO COc1c[nH]c(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000072153167 541790949 /nfs/dbraw/zinc/79/09/49/541790949.db2.gz NSDIIYZZHFIDMM-KRWDZBQOSA-N 1 1 367.449 2.459 50 0 FEAAMO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000072162420 541792596 /nfs/dbraw/zinc/79/25/96/541792596.db2.gz PGTUXAKMSSAYMA-APWZRJJASA-N 1 1 358.417 2.245 50 0 FEAAMO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 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CCNc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]c(C)n1 ZINC000067613809 541490183 /nfs/dbraw/zinc/49/01/83/541490183.db2.gz ZMSOOLZUVVXMCV-UHFFFAOYSA-N 1 1 353.470 2.498 50 0 FEAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2coc3ccc(C)cc3c2=O)C1 ZINC000067895412 541526551 /nfs/dbraw/zinc/52/65/51/541526551.db2.gz OTIURKCXALHTIS-AWEZNQCLSA-N 1 1 368.437 2.386 50 0 FEAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2coc3ccc(C)cc3c2=O)C1 ZINC000067895412 541526555 /nfs/dbraw/zinc/52/65/55/541526555.db2.gz OTIURKCXALHTIS-AWEZNQCLSA-N 1 1 368.437 2.386 50 0 FEAAMO Cc1c[nH]c(C[NH+]2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)n1 ZINC000067919694 541528579 /nfs/dbraw/zinc/52/85/79/541528579.db2.gz RPMHHBYDOJRBNC-UHFFFAOYSA-N 1 1 366.469 2.057 50 0 FEAAMO Cc1ncc(C[NH+]2CCC3(CCN(C(=O)C4CCCC4)C[C@H]3CO)CC2)[nH]1 ZINC000097766380 209197146 /nfs/dbraw/zinc/19/71/46/209197146.db2.gz YAFIRUBVIRZYIC-SFHVURJKSA-N 1 1 374.529 2.331 50 0 FEAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000097657137 209191877 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O=C(NCCF)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071576033 541768412 /nfs/dbraw/zinc/76/84/12/541768412.db2.gz OGAVQRXRHULCSQ-LJQANCHMSA-N 1 1 373.516 2.416 50 0 FEAAMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071759747 541771395 /nfs/dbraw/zinc/77/13/95/541771395.db2.gz GSJMGLLNUVJFCW-KRWDZBQOSA-N 1 1 354.520 2.034 50 0 FEAAMO CC(C)[C@H]1C[N@H+](CC(=O)NC2CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763715 541771902 /nfs/dbraw/zinc/77/19/02/541771902.db2.gz WRBKUGRTLNZPPU-GOSISDBHSA-N 1 1 361.461 2.163 50 0 FEAAMO CC(C)[C@H]1C[N@@H+](CC(=O)NC2CC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763715 541771905 /nfs/dbraw/zinc/77/19/05/541771905.db2.gz WRBKUGRTLNZPPU-GOSISDBHSA-N 1 1 361.461 2.163 50 0 FEAAMO COc1cc2c(cc1CN1CC[NH+](Cc3ncccc3C)CC1)OCCO2 ZINC000072127185 541784654 /nfs/dbraw/zinc/78/46/54/541784654.db2.gz ZYZJAHBHGOWSHJ-UHFFFAOYSA-N 1 1 369.465 2.488 50 0 FEAAMO CCOC(=O)N1CCn2nc(C[N@H+](C)CCCn3nc(C)cc3C)cc2C1 ZINC000072146170 541787851 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50 0 FEAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091725283 542821955 /nfs/dbraw/zinc/82/19/55/542821955.db2.gz BALQPIOKLOTKRR-UHFFFAOYSA-N 1 1 365.481 2.481 50 0 FEAAMO CCNc1ncc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000091737207 542822791 /nfs/dbraw/zinc/82/27/91/542822791.db2.gz XECZYGCLICILSO-INIZCTEOSA-N 1 1 353.470 2.436 50 0 FEAAMO NC(=O)c1csc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091792925 542825777 /nfs/dbraw/zinc/82/57/77/542825777.db2.gz IHWXANGYLOABPI-CQSZACIVSA-N 1 1 368.466 2.266 50 0 FEAAMO CCN1C[C@H](C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)Oc2ccccc21 ZINC000058289085 136131395 /nfs/dbraw/zinc/13/13/95/136131395.db2.gz BVENDTPDJZCPOT-KRWDZBQOSA-N 1 1 364.449 2.414 50 0 FEAAMO COc1ccc(C[N@H+]2CCN(c3cnccn3)C[C@@H]2CCO)c(C)c1C ZINC000072418801 136145822 /nfs/dbraw/zinc/14/58/22/136145822.db2.gz BPYTYUMGWBOKQB-SFHVURJKSA-N 1 1 356.470 2.175 50 0 FEAAMO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000072442408 136147838 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CCn1nc(C)c(C[N@@H+](CCOC)Cc2ccc(-c3nn[nH]n3)cc2)c1C ZINC000055310640 540645767 /nfs/dbraw/zinc/64/57/67/540645767.db2.gz FHVGXELLKWPBAK-UHFFFAOYSA-N 1 1 369.473 2.349 50 0 FEAAMO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(Br)c1OC ZINC000055897461 540684118 /nfs/dbraw/zinc/68/41/18/540684118.db2.gz RUWVKLDRBIMYGC-UHFFFAOYSA-N 1 1 357.248 2.164 50 0 FEAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000057815297 540816507 /nfs/dbraw/zinc/81/65/07/540816507.db2.gz KJAKVUVQAMEKCY-UHFFFAOYSA-N 1 1 368.437 2.087 50 0 FEAAMO Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058014608 540827421 /nfs/dbraw/zinc/82/74/21/540827421.db2.gz DFAMVAQANBPLJD-UHFFFAOYSA-N 1 1 356.879 2.139 50 0 FEAAMO CCn1cnnc1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058343896 540839902 /nfs/dbraw/zinc/83/99/02/540839902.db2.gz DVWKREAYVFZHPZ-KRWDZBQOSA-N 1 1 356.474 2.009 50 0 FEAAMO Cc1cccc2c1ncn(CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c2=O ZINC000058175574 540831617 /nfs/dbraw/zinc/83/16/17/540831617.db2.gz 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C[N@@H+](CCNC(=O)Cn1c2ccccc2sc1=O)Cc1ccccc1 ZINC000002461525 539348810 /nfs/dbraw/zinc/34/88/10/539348810.db2.gz CWTKGLGFTRUHRJ-UHFFFAOYSA-N 1 1 355.463 2.311 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)c1ccsc1 ZINC000008863653 539493561 /nfs/dbraw/zinc/49/35/61/539493561.db2.gz YJOPBTMENKCKFB-CQSZACIVSA-N 1 1 353.394 2.384 50 0 FEAAMO C[N@H+](CCOc1ccccc1F)CC(=O)NC(=O)NC1CCCCC1 ZINC000008852622 539494030 /nfs/dbraw/zinc/49/40/30/539494030.db2.gz UVTUBRVPWYDECJ-UHFFFAOYSA-N 1 1 351.422 2.295 50 0 FEAAMO C[N@@H+](CCOc1ccccc1F)CC(=O)NC(=O)NC1CCCCC1 ZINC000008852622 539494031 /nfs/dbraw/zinc/49/40/31/539494031.db2.gz UVTUBRVPWYDECJ-UHFFFAOYSA-N 1 1 351.422 2.295 50 0 FEAAMO CCc1csc(CNC(=O)c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)nc2)n1 ZINC000011817530 539536203 /nfs/dbraw/zinc/53/62/03/539536203.db2.gz QFUSGVRKUAUADM-MRXNPFEDSA-N 1 1 371.510 2.315 50 0 FEAAMO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000012757990 539572957 /nfs/dbraw/zinc/57/29/57/539572957.db2.gz CLBIUVNHTUULKQ-UHFFFAOYSA-N 1 1 352.438 2.435 50 0 FEAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000012852800 539576858 /nfs/dbraw/zinc/57/68/58/539576858.db2.gz ATUWLIVNGUTSIC-UHFFFAOYSA-N 1 1 364.442 2.136 50 0 FEAAMO COc1ccc2c(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)coc2c1 ZINC000012872666 539577992 /nfs/dbraw/zinc/57/79/92/539577992.db2.gz OOKNBJZUJHCCDN-QGZVFWFLSA-N 1 1 360.454 2.457 50 0 FEAAMO COc1ccc(Cl)cc1NC(=O)C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O ZINC000013482193 539587763 /nfs/dbraw/zinc/58/77/63/539587763.db2.gz GIGBJGXMBLJKEO-DYEKYZERSA-N 1 1 351.834 2.076 50 0 FEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014140701 539596721 /nfs/dbraw/zinc/59/67/21/539596721.db2.gz FQKIPROECVQBJF-GOSISDBHSA-N 1 1 361.461 2.278 50 0 FEAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000014119665 539596008 /nfs/dbraw/zinc/59/60/08/539596008.db2.gz AFJZGAGAIPWJBD-UHFFFAOYSA-N 1 1 369.490 2.193 50 0 FEAAMO CCc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)[NH+](C)C)cc1 ZINC000014159663 539597109 /nfs/dbraw/zinc/59/71/09/539597109.db2.gz XLYNYWXRWMLZJL-INIZCTEOSA-N 1 1 351.472 2.435 50 0 FEAAMO CC[C@@H]1C[N@@H+](CCC(=O)NC2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000014955857 539608246 /nfs/dbraw/zinc/60/82/46/539608246.db2.gz KWIRJGKARAGHOT-QGZVFWFLSA-N 1 1 362.470 2.354 50 0 FEAAMO CC(=O)NCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000015078207 539612187 /nfs/dbraw/zinc/61/21/87/539612187.db2.gz PHFGPXBMTDTXEC-QGZVFWFLSA-N 1 1 365.905 2.189 50 0 FEAAMO CCOC(=O)c1c(C)oc2ncnc(N[C@@H](CC)C[NH+]3CCOCC3)c21 ZINC000015727292 539622374 /nfs/dbraw/zinc/62/23/74/539622374.db2.gz VEFQQDOSYXRDDJ-ZDUSSCGKSA-N 1 1 362.430 2.231 50 0 FEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000015962657 539626049 /nfs/dbraw/zinc/62/60/49/539626049.db2.gz CYGNWMPJDONMFY-OAHLLOKOSA-N 1 1 372.469 2.093 50 0 FEAAMO O=c1c([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)c(O)nc2n1CCS2 ZINC000020623246 539676516 /nfs/dbraw/zinc/67/65/16/539676516.db2.gz RGEDCDYRNXHDGN-CQSZACIVSA-N 1 1 374.853 2.424 50 0 FEAAMO Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CC[NH+](C)CC2)o1 ZINC000021659763 539685956 /nfs/dbraw/zinc/68/59/56/539685956.db2.gz ONMCFRGTFWIWPT-SFHVURJKSA-N 1 1 357.454 2.072 50 0 FEAAMO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1OC ZINC000022462294 539695254 /nfs/dbraw/zinc/69/52/54/539695254.db2.gz ZTYLYXAJASYXCG-UHFFFAOYSA-N 1 1 362.470 2.469 50 0 FEAAMO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CC[NH+](C)CC2)o1 ZINC000022938376 539703260 /nfs/dbraw/zinc/70/32/60/539703260.db2.gz ISMIVBOXQQPZHR-GOSISDBHSA-N 1 1 371.481 2.380 50 0 FEAAMO C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000030030409 539872779 /nfs/dbraw/zinc/87/27/79/539872779.db2.gz IEQMTSMLWNJYCF-IBGZPJMESA-N 1 1 366.465 2.001 50 0 FEAAMO C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000030030409 539872784 /nfs/dbraw/zinc/87/27/84/539872784.db2.gz IEQMTSMLWNJYCF-IBGZPJMESA-N 1 1 366.465 2.001 50 0 FEAAMO C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000029879299 539867559 /nfs/dbraw/zinc/86/75/59/539867559.db2.gz DZROEJGLLSKPIE-GFCCVEGCSA-N 1 1 368.462 2.161 50 0 FEAAMO C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000029879299 539867563 /nfs/dbraw/zinc/86/75/63/539867563.db2.gz DZROEJGLLSKPIE-GFCCVEGCSA-N 1 1 368.462 2.161 50 0 FEAAMO CC[NH+]1CCN(C(=O)Nc2ccccc2I)CC1 ZINC000040095972 540006441 /nfs/dbraw/zinc/00/64/41/540006441.db2.gz XNVPLMHAVZKZBR-UHFFFAOYSA-N 1 1 359.211 2.461 50 0 FEAAMO Cc1ccc(NCCCNC(=O)[C@@H](c2ccc3c(c2)OCO3)N(C)C)[nH+]c1 ZINC000218987122 209674823 /nfs/dbraw/zinc/67/48/23/209674823.db2.gz NQTCPKZOWAAGBL-LJQANCHMSA-N 1 1 370.453 2.340 50 0 FEAAMO NC(=O)CCn1cc(C[NH2+]CCc2n[nH]c3c2CCCC3)c2ccccc21 ZINC000055054013 540624481 /nfs/dbraw/zinc/62/44/81/540624481.db2.gz ODWSVPHTFHYCLQ-UHFFFAOYSA-N 1 1 365.481 2.451 50 0 FEAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N(Cc2cccnc2)C2CCCCCC2)C1 ZINC000055326620 540646961 /nfs/dbraw/zinc/64/69/61/540646961.db2.gz NYUXXVWXFCETNK-SFHVURJKSA-N 1 1 372.513 2.330 50 0 FEAAMO CCOC(=O)c1[nH]c(=O)[nH]c1C[N@H+](Cc1cccc(OCC)c1)C1CC1 ZINC000055414969 540651889 /nfs/dbraw/zinc/65/18/89/540651889.db2.gz CDKRGPNFGYVQGP-UHFFFAOYSA-N 1 1 359.426 2.443 50 0 FEAAMO CCOC(=O)c1[nH]c(=O)[nH]c1C[N@@H+](Cc1cccc(OCC)c1)C1CC1 ZINC000055414969 540651891 /nfs/dbraw/zinc/65/18/91/540651891.db2.gz CDKRGPNFGYVQGP-UHFFFAOYSA-N 1 1 359.426 2.443 50 0 FEAAMO COC(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000060470014 541112797 /nfs/dbraw/zinc/11/27/97/541112797.db2.gz XNSQNNSIBAQRAN-RLFYNMQTSA-N 1 1 360.454 2.187 50 0 FEAAMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C(=O)Nc2cn(C)nn2)cc1 ZINC000065383545 541235863 /nfs/dbraw/zinc/23/58/63/541235863.db2.gz KVRSUBBVEWLPBQ-UHFFFAOYSA-N 1 1 350.426 2.485 50 0 FEAAMO Cc1cccc([C@@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)[NH+](C)C)c1 ZINC000065384448 541236046 /nfs/dbraw/zinc/23/60/46/541236046.db2.gz VFFJNFKPRJHUDW-KRWDZBQOSA-N 1 1 350.426 2.094 50 0 FEAAMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000065425801 541238111 /nfs/dbraw/zinc/23/81/11/541238111.db2.gz FKTXCMUPTAVUEM-HNNXBMFYSA-N 1 1 357.414 2.033 50 0 FEAAMO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)n1 ZINC000065425801 541238114 /nfs/dbraw/zinc/23/81/14/541238114.db2.gz FKTXCMUPTAVUEM-HNNXBMFYSA-N 1 1 357.414 2.033 50 0 FEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cnnn1-c1ccccc1 ZINC000065489296 541240676 /nfs/dbraw/zinc/24/06/76/541240676.db2.gz LYNYLCSUDQSGCM-INIZCTEOSA-N 1 1 351.410 2.427 50 0 FEAAMO O=C([C@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000065493069 541241503 /nfs/dbraw/zinc/24/15/03/541241503.db2.gz VJYMUVVCMIOVDV-NVXWUHKLSA-N 1 1 363.408 2.014 50 0 FEAAMO Cn1cccc1-c1cc(C(=O)NCCC2=CSC3=[NH+]CCCN23)[nH]n1 ZINC000102212971 209233663 /nfs/dbraw/zinc/23/36/63/209233663.db2.gz QLOCSRJHHFFYOC-UHFFFAOYSA-N 1 1 356.455 2.185 50 0 FEAAMO C[NH+](C)[C@H](CNc1c(=O)c(=O)c1NCc1ccncc1)c1ccccc1 ZINC000101693087 209229828 /nfs/dbraw/zinc/22/98/28/209229828.db2.gz BMNGMECZQRKHKC-MRXNPFEDSA-N 1 1 350.422 2.005 50 0 FEAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000067622667 541491669 /nfs/dbraw/zinc/49/16/69/541491669.db2.gz LNTGANAWMSLRNY-UHFFFAOYSA-N 1 1 366.400 2.072 50 0 FEAAMO CN(CC1CC1)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067691825 541499470 /nfs/dbraw/zinc/49/94/70/541499470.db2.gz VVYPQNLNXMPSFP-UHFFFAOYSA-N 1 1 368.481 2.474 50 0 FEAAMO CO[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 ZINC000067833390 541518988 /nfs/dbraw/zinc/51/89/88/541518988.db2.gz PPDHWFLNIMDGBL-KDOFPFPSSA-N 1 1 356.470 2.453 50 0 FEAAMO C[N@H+]1CCCC2(CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)CC1 ZINC000067803071 541515084 /nfs/dbraw/zinc/51/50/84/541515084.db2.gz ULKNQIOWXRZALU-UHFFFAOYSA-N 1 1 354.458 2.000 50 0 FEAAMO CCOC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1OC)C2 ZINC000067805244 541515294 /nfs/dbraw/zinc/51/52/94/541515294.db2.gz QSGOZHKACCJXQL-FQEVSTJZSA-N 1 1 360.454 2.186 50 0 FEAAMO CCOC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1OC)C2 ZINC000067805244 541515298 /nfs/dbraw/zinc/51/52/98/541515298.db2.gz QSGOZHKACCJXQL-FQEVSTJZSA-N 1 1 360.454 2.186 50 0 FEAAMO COC(=O)Cc1cc(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)n[nH]1 ZINC000067947098 541531607 /nfs/dbraw/zinc/53/16/07/541531607.db2.gz XJXHPGJLKSAUJW-UHFFFAOYSA-N 1 1 353.426 2.381 50 0 FEAAMO Cc1cc(C)n(CC2(CNC(=O)[C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)n1 ZINC000097514986 209184792 /nfs/dbraw/zinc/18/47/92/209184792.db2.gz JTMDQORXECGCSB-SFHVURJKSA-N 1 1 374.529 2.287 50 0 FEAAMO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000097394400 209180169 /nfs/dbraw/zinc/18/01/69/209180169.db2.gz OEFQVNVGFAJXEI-QGZVFWFLSA-N 1 1 366.527 2.348 50 0 FEAAMO O=C(c1cnccn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071551635 541768639 /nfs/dbraw/zinc/76/86/39/541768639.db2.gz HUDLZMCZVYPGMZ-GDIGMMSISA-N 1 1 370.403 2.457 50 0 FEAAMO Cc1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(C)n1-n1cnnc1 ZINC000071745855 541769769 /nfs/dbraw/zinc/76/97/69/541769769.db2.gz QZCBAEFJYJGWMU-KRWDZBQOSA-N 1 1 353.426 2.280 50 0 FEAAMO C[C@@H](O)C[N@@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000071753668 541770479 /nfs/dbraw/zinc/77/04/79/541770479.db2.gz RZSGSMAJCUHVOG-MRXNPFEDSA-N 1 1 366.465 2.419 50 0 FEAAMO COCCN1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760960 541771330 /nfs/dbraw/zinc/77/13/30/541771330.db2.gz AULGBXNEWWMKTE-FQEVSTJZSA-N 1 1 373.541 2.168 50 0 FEAAMO CC(C)[C@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)CCC[N@H+]1CC1CC1 ZINC000071757205 541771554 /nfs/dbraw/zinc/77/15/54/541771554.db2.gz MJANLEJKWXPXJO-GOSISDBHSA-N 1 1 368.485 2.245 50 0 FEAAMO O=C(c1ccccc1N1CCCC1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072141947 541787233 /nfs/dbraw/zinc/78/72/33/541787233.db2.gz DDIXQWRANGFPLR-GOSISDBHSA-N 1 1 357.498 2.348 50 0 FEAAMO CCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000072145501 541788217 /nfs/dbraw/zinc/78/82/17/541788217.db2.gz ADDCHFILVAZQFX-SFHVURJKSA-N 1 1 370.490 2.472 50 0 FEAAMO CCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(OC)ccc1F)C2 ZINC000072145501 541788220 /nfs/dbraw/zinc/78/82/20/541788220.db2.gz ADDCHFILVAZQFX-SFHVURJKSA-N 1 1 370.490 2.472 50 0 FEAAMO COC(=O)CC[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072154994 541790728 /nfs/dbraw/zinc/79/07/28/541790728.db2.gz UILMQCXIFJFIKT-KRWDZBQOSA-N 1 1 350.434 2.448 50 0 FEAAMO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072162569 541792157 /nfs/dbraw/zinc/79/21/57/541792157.db2.gz MIBZGGGFTOGFKT-OAHLLOKOSA-N 1 1 366.531 2.071 50 0 FEAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072162569 541792159 /nfs/dbraw/zinc/79/21/59/541792159.db2.gz MIBZGGGFTOGFKT-OAHLLOKOSA-N 1 1 366.531 2.071 50 0 FEAAMO O=C(c1cccc(CO)n1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072421135 541808965 /nfs/dbraw/zinc/80/89/65/541808965.db2.gz JTGBXTXBPYRYSS-UHFFFAOYSA-N 1 1 353.466 2.355 50 0 FEAAMO Cc1ncc2c(c1CNC(=O)CCc1nc3ccc(F)cc3[nH]1)CC[NH2+]C2 ZINC000072481217 541822382 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O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000012432624 207375996 /nfs/dbraw/zinc/37/59/96/207375996.db2.gz ACGFCHMPQIAJHS-GOSISDBHSA-N 1 1 366.400 2.405 50 0 FEAAMO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012475638 207382263 /nfs/dbraw/zinc/38/22/63/207382263.db2.gz WLPUSIVXMXOUBR-HNNXBMFYSA-N 1 1 351.520 2.068 50 0 FEAAMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012593530 207397505 /nfs/dbraw/zinc/39/75/05/207397505.db2.gz AJLRCIRQQDTZJE-IBGZPJMESA-N 1 1 369.509 2.416 50 0 FEAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032400424 208028274 /nfs/dbraw/zinc/02/82/74/208028274.db2.gz IQKRXCJCGGPAKC-UHFFFAOYSA-N 1 1 366.421 2.003 50 0 FEAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 ZINC000036394260 208161742 /nfs/dbraw/zinc/16/17/42/208161742.db2.gz BKAWBFCXXQVGFM-UHFFFAOYSA-N 1 1 365.477 2.323 50 0 FEAAMO Cc1cc(=O)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC000040108092 208229375 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Cc1ccc(CN2CC[N@@H+](Cc3ccc(OCCO)cc3)C[C@H]2CCO)o1 ZINC000036385645 539988927 /nfs/dbraw/zinc/98/89/27/539988927.db2.gz FTUVOZLHWXVRGW-LJQANCHMSA-N 1 1 374.481 2.028 50 0 FEAAMO Cc1nc(NCCNC(=O)Nc2cc(F)cc(F)c2)cc(N(C)C)[nH+]1 ZINC000038670718 539999617 /nfs/dbraw/zinc/99/96/17/539999617.db2.gz QFAMREREDTXFJR-UHFFFAOYSA-N 1 1 350.373 2.363 50 0 FEAAMO O=C(C[C@H]1CCCO1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051419990 540433149 /nfs/dbraw/zinc/43/31/49/540433149.db2.gz LCVGITWMOZORPT-GOSISDBHSA-N 1 1 357.454 2.481 50 0 FEAAMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCCOc2ccccc2)o1 ZINC000052640174 540479203 /nfs/dbraw/zinc/47/92/03/540479203.db2.gz IKXKEFSXKLBJPJ-UHFFFAOYSA-N 1 1 352.456 2.431 50 0 FEAAMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCCOc2ccccc2)o1 ZINC000052640174 540479206 /nfs/dbraw/zinc/47/92/06/540479206.db2.gz IKXKEFSXKLBJPJ-UHFFFAOYSA-N 1 1 352.456 2.431 50 0 FEAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113240 540511258 /nfs/dbraw/zinc/51/12/58/540511258.db2.gz WCIWGHQOCPKKJT-TZMCWYRMSA-N 1 1 371.403 2.250 50 0 FEAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000053113240 540511261 /nfs/dbraw/zinc/51/12/61/540511261.db2.gz WCIWGHQOCPKKJT-TZMCWYRMSA-N 1 1 371.403 2.250 50 0 FEAAMO C[N@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694875 540604009 /nfs/dbraw/zinc/60/40/09/540604009.db2.gz KBYQNRLMSZBSRZ-INIZCTEOSA-N 1 1 370.419 2.237 50 0 FEAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055119083 540630036 /nfs/dbraw/zinc/63/00/36/540630036.db2.gz KIDMQEZBSNCBAV-QGZVFWFLSA-N 1 1 370.497 2.316 50 0 FEAAMO Cc1nc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cs1 ZINC000055211445 540635972 /nfs/dbraw/zinc/63/59/72/540635972.db2.gz LKXDFLZVMHUDMI-GOSISDBHSA-N 1 1 363.458 2.234 50 0 FEAAMO Cc1nc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cs1 ZINC000055254742 540640797 /nfs/dbraw/zinc/64/07/97/540640797.db2.gz LLURDICIDHKBNQ-SFHVURJKSA-N 1 1 363.458 2.234 50 0 FEAAMO O=C(NCCc1[nH]nc2c1CCCC2)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055343003 540647577 /nfs/dbraw/zinc/64/75/77/540647577.db2.gz OQJSQZAEQURZJM-HNNXBMFYSA-N 1 1 356.470 2.452 50 0 FEAAMO O=C(NCCc1n[nH]c2c1CCCC2)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055343003 540647579 /nfs/dbraw/zinc/64/75/79/540647579.db2.gz OQJSQZAEQURZJM-HNNXBMFYSA-N 1 1 356.470 2.452 50 0 FEAAMO O=C(NCCc1n[nH]c2c1CCCC2)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055343003 540647582 /nfs/dbraw/zinc/64/75/82/540647582.db2.gz OQJSQZAEQURZJM-HNNXBMFYSA-N 1 1 356.470 2.452 50 0 FEAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000057373558 540792296 /nfs/dbraw/zinc/79/22/96/540792296.db2.gz VLSYWIROWHABRO-SFHVURJKSA-N 1 1 357.454 2.210 50 0 FEAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1NC(=O)Cc1cccc(F)c1 ZINC000058332951 540839983 /nfs/dbraw/zinc/83/99/83/540839983.db2.gz JXHNFMGUDBAAAP-GOSISDBHSA-N 1 1 355.413 2.457 50 0 FEAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1NC(=O)Cc1cccc(F)c1 ZINC000058332951 540839984 /nfs/dbraw/zinc/83/99/84/540839984.db2.gz JXHNFMGUDBAAAP-GOSISDBHSA-N 1 1 355.413 2.457 50 0 FEAAMO CCn1cnnc1CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058210433 540833754 /nfs/dbraw/zinc/83/37/54/540833754.db2.gz ZJRKGSSZPGZBSN-QGZVFWFLSA-N 1 1 356.474 2.152 50 0 FEAAMO NC(=O)C1CC[NH+](Cc2nnc(-c3cccc(Br)c3)o2)CC1 ZINC000058231276 540835413 /nfs/dbraw/zinc/83/54/13/540835413.db2.gz QMDCTBSREMNXTA-UHFFFAOYSA-N 1 1 365.231 2.196 50 0 FEAAMO CCOC(=O)c1ccc(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046063196 209328503 /nfs/dbraw/zinc/32/85/03/209328503.db2.gz TVEPOLWCTGHBLN-SOUVJXGZSA-N 1 1 363.458 2.483 50 0 FEAAMO CCOC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046063196 209328505 /nfs/dbraw/zinc/32/85/05/209328505.db2.gz TVEPOLWCTGHBLN-SOUVJXGZSA-N 1 1 363.458 2.483 50 0 FEAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)[C@H]3CCCO3)n2)cc1 ZINC000044213744 209316341 /nfs/dbraw/zinc/31/63/41/209316341.db2.gz RIUIFEVNKFUOEN-MRXNPFEDSA-N 1 1 371.441 2.244 50 0 FEAAMO C[C@H](CNC(=O)Nc1ccccc1-n1cccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106087120 209271080 /nfs/dbraw/zinc/27/10/80/209271080.db2.gz MXNALPVIRXDDAR-OAGGEKHMSA-N 1 1 357.458 2.492 50 0 FEAAMO C[C@H](CNC(=O)Nc1ccccc1-n1cccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106087120 209271083 /nfs/dbraw/zinc/27/10/83/209271083.db2.gz MXNALPVIRXDDAR-OAGGEKHMSA-N 1 1 357.458 2.492 50 0 FEAAMO COc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)nc3)C2)c1 ZINC000065267283 541231695 /nfs/dbraw/zinc/23/16/95/541231695.db2.gz RZLBSJJZYJAUPZ-QGZVFWFLSA-N 1 1 355.438 2.032 50 0 FEAAMO COc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)nc3)C2)c1 ZINC000065267283 541231698 /nfs/dbraw/zinc/23/16/98/541231698.db2.gz RZLBSJJZYJAUPZ-QGZVFWFLSA-N 1 1 355.438 2.032 50 0 FEAAMO CCCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)cn1 ZINC000065267536 541231710 /nfs/dbraw/zinc/23/17/10/541231710.db2.gz WQEYNAUAOORYSC-GOSISDBHSA-N 1 1 354.454 2.199 50 0 FEAAMO CCCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3cccnc3)C2)cn1 ZINC000065267536 541231714 /nfs/dbraw/zinc/23/17/14/541231714.db2.gz WQEYNAUAOORYSC-GOSISDBHSA-N 1 1 354.454 2.199 50 0 FEAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000065370269 541235390 /nfs/dbraw/zinc/23/53/90/541235390.db2.gz PWLZUEAKBPMWDG-HNNXBMFYSA-N 1 1 350.434 2.164 50 0 FEAAMO O[C@H]1CCN(c2cc[nH+]c(N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)C1 ZINC000065405478 541236216 /nfs/dbraw/zinc/23/62/16/541236216.db2.gz QNXLQHRXNQIPRM-INIZCTEOSA-N 1 1 374.872 2.189 50 0 FEAAMO Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cc3n(n2)CC[NH2+]C3)C1 ZINC000065421766 541237083 /nfs/dbraw/zinc/23/70/83/541237083.db2.gz YSNADBZFLUADTO-MRXNPFEDSA-N 1 1 354.454 2.226 50 0 FEAAMO COc1ccc2c(c1)OC[C@H](C(=O)NCCC1=CSC3=[NH+]CCCN13)C2 ZINC000102082213 209231831 /nfs/dbraw/zinc/23/18/31/209231831.db2.gz GXJWAAJVZCANFH-CQSZACIVSA-N 1 1 373.478 2.403 50 0 FEAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCc3cccnc3)c2)CCO1 ZINC000067588591 541484101 /nfs/dbraw/zinc/48/41/01/541484101.db2.gz OFMBXTIICKMPKD-INIZCTEOSA-N 1 1 354.454 2.302 50 0 FEAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCc3cccnc3)c2)CCO1 ZINC000067588591 541484106 /nfs/dbraw/zinc/48/41/06/541484106.db2.gz OFMBXTIICKMPKD-INIZCTEOSA-N 1 1 354.454 2.302 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(C)c3)CC2)ncn1 ZINC000067612495 541489798 /nfs/dbraw/zinc/48/97/98/541489798.db2.gz HVBLNGHMXVHQRR-UHFFFAOYSA-N 1 1 362.437 2.242 50 0 FEAAMO Cc1nccn1-c1cc(NCCNC(=O)c2ccccc2C)[nH+]c(C)n1 ZINC000067613919 541490275 /nfs/dbraw/zinc/49/02/75/541490275.db2.gz OVNRSYOFTFXDSX-UHFFFAOYSA-N 1 1 350.426 2.429 50 0 FEAAMO NC(=O)COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000067714141 541503943 /nfs/dbraw/zinc/50/39/43/541503943.db2.gz LJIRWRLIRKELCI-KSSFIOAISA-N 1 1 352.862 2.331 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067757762 541508645 /nfs/dbraw/zinc/50/86/45/541508645.db2.gz HBFVTWOQNDTWTR-SFHVURJKSA-N 1 1 368.481 2.239 50 0 FEAAMO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067757762 541508648 /nfs/dbraw/zinc/50/86/48/541508648.db2.gz HBFVTWOQNDTWTR-SFHVURJKSA-N 1 1 368.481 2.239 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067757762 541508650 /nfs/dbraw/zinc/50/86/50/541508650.db2.gz HBFVTWOQNDTWTR-SFHVURJKSA-N 1 1 368.481 2.239 50 0 FEAAMO CC(C)Cc1cc(C(=O)NCc2cccnc2N2CCC[N@@H+](C)CC2)on1 ZINC000067847453 541520090 /nfs/dbraw/zinc/52/00/90/541520090.db2.gz OGZSPOILDIHLCY-UHFFFAOYSA-N 1 1 371.485 2.340 50 0 FEAAMO CCc1nnc(NC(=O)c2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000067852423 541520613 /nfs/dbraw/zinc/52/06/13/541520613.db2.gz XQGJRTLJOVEVGC-AWEZNQCLSA-N 1 1 373.482 2.050 50 0 FEAAMO CCCC[N@@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067789934 541514479 /nfs/dbraw/zinc/51/44/79/541514479.db2.gz YMXCHJVOKCQQSL-LJQANCHMSA-N 1 1 352.450 2.420 50 0 FEAAMO Cc1c(Cl)cc(CN2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000067805905 541515259 /nfs/dbraw/zinc/51/52/59/541515259.db2.gz QNZMPKJUFQPQFL-IRXDYDNUSA-N 1 1 358.313 2.094 50 0 FEAAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067885069 541525314 /nfs/dbraw/zinc/52/53/14/541525314.db2.gz KUIQNACCRKTWQE-OAHLLOKOSA-N 1 1 366.469 2.222 50 0 FEAAMO CCOc1ccc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1Cl ZINC000097813671 209198964 /nfs/dbraw/zinc/19/89/64/209198964.db2.gz OTUVFYBJUCYECG-IRXDYDNUSA-N 1 1 354.878 2.006 50 0 FEAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000097711660 209193457 /nfs/dbraw/zinc/19/34/57/209193457.db2.gz NSUQSNUXUSTIPO-SFHVURJKSA-N 1 1 364.461 2.135 50 0 FEAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccccc2)o1 ZINC000097425680 209182129 /nfs/dbraw/zinc/18/21/29/209182129.db2.gz SKCCUMSRLCAGGO-MRXNPFEDSA-N 1 1 355.438 2.182 50 0 FEAAMO CC(C)Cn1nccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000071805609 541772904 /nfs/dbraw/zinc/77/29/04/541772904.db2.gz YILXBKAECSWXBW-UHFFFAOYSA-N 1 1 355.486 2.295 50 0 FEAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCCC1 ZINC000072124178 541784364 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132207548 /nfs/dbraw/zinc/20/75/48/132207548.db2.gz KIAIKTGCMDRRFR-AZUAARDMSA-N 1 1 371.525 2.317 50 0 FEAAMO C[NH+](C)[C@H](C(=O)N1CCN(c2cccc(O)c2)CC1)c1ccc(F)cc1 ZINC000095375101 132209152 /nfs/dbraw/zinc/20/91/52/132209152.db2.gz SAWOWVUMOPKSCE-IBGZPJMESA-N 1 1 357.429 2.483 50 0 FEAAMO CCCCSc1nc(N2CCC3(CN(C)C(=O)O3)CC2)cc(N)[nH+]1 ZINC000095390948 132210570 /nfs/dbraw/zinc/21/05/70/132210570.db2.gz KHXSZODLGNHLLQ-UHFFFAOYSA-N 1 1 351.476 2.372 50 0 FEAAMO CCCCSc1nc(N)cc(N2CCC3(CN(C)C(=O)O3)CC2)[nH+]1 ZINC000095390948 132210572 /nfs/dbraw/zinc/21/05/72/132210572.db2.gz KHXSZODLGNHLLQ-UHFFFAOYSA-N 1 1 351.476 2.372 50 0 FEAAMO CC(C)C[C@@H](O)C1CCN(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)CC1 ZINC000095501858 132212326 /nfs/dbraw/zinc/21/23/26/132212326.db2.gz SQXMJFKXYCOHAA-LJQANCHMSA-N 1 1 374.529 2.093 50 0 FEAAMO Cc1cc(C2CCC2)nc(N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)n1 ZINC000095510288 132213122 /nfs/dbraw/zinc/21/31/22/132213122.db2.gz VAAHYBIRCWLLMT-OAHLLOKOSA-N 1 1 354.458 2.118 50 0 FEAAMO CCc1cc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)nc(N2CCCC2)n1 ZINC000095521914 132214131 /nfs/dbraw/zinc/21/41/31/132214131.db2.gz AJTWGGFMIZVWFB-GOSISDBHSA-N 1 1 359.518 2.377 50 0 FEAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000096151563 132220641 /nfs/dbraw/zinc/22/06/41/132220641.db2.gz OFLREWMFZZOZIY-KRWDZBQOSA-N 1 1 353.470 2.400 50 0 FEAAMO COc1cc2c(cc1F)ncnc2N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000170596365 132264020 /nfs/dbraw/zinc/26/40/20/132264020.db2.gz RGWVLHLKEMCTGG-CQSZACIVSA-N 1 1 360.433 2.469 50 0 FEAAMO Cc1cc(N2CC[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)nc(N)n1 ZINC000215914970 132270892 /nfs/dbraw/zinc/27/08/92/132270892.db2.gz GLSNHEYEJJWFCT-CQSZACIVSA-N 1 1 369.469 2.097 50 0 FEAAMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2nc1N1CCOCC1 ZINC000216318308 132271294 /nfs/dbraw/zinc/27/12/94/132271294.db2.gz NXTISCSPYMOACI-GOSISDBHSA-N 1 1 368.481 2.301 50 0 FEAAMO O=C(CCc1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000091327189 542805731 /nfs/dbraw/zinc/80/57/31/542805731.db2.gz VZERKGPIAUWTFV-UHFFFAOYSA-N 1 1 368.481 2.080 50 0 FEAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c(OC)c1 ZINC000091552028 542812230 /nfs/dbraw/zinc/81/22/30/542812230.db2.gz YXHZUFVFRGUEBX-DOTOQJQBSA-N 1 1 374.481 2.419 50 0 FEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ncoc1C)CC2 ZINC000091563042 542812381 /nfs/dbraw/zinc/81/23/81/542812381.db2.gz CTINHXNGPJCFCA-UHFFFAOYSA-N 1 1 357.458 2.496 50 0 FEAAMO CCN1C[C@@]2(CCC[N@H+](Cc3nnc(-c4cccnc4)o3)C2)CCC1=O ZINC000091548298 542812461 /nfs/dbraw/zinc/81/24/61/542812461.db2.gz ABGALMNDZPWPKW-IBGZPJMESA-N 1 1 355.442 2.356 50 0 FEAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)CCC1=O ZINC000091548298 542812464 /nfs/dbraw/zinc/81/24/64/542812464.db2.gz ABGALMNDZPWPKW-IBGZPJMESA-N 1 1 355.442 2.356 50 0 FEAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000091547084 542812798 /nfs/dbraw/zinc/81/27/98/542812798.db2.gz POMIBIFKQZXRFC-KGLIPLIRSA-N 1 1 372.868 2.128 50 0 FEAAMO COc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)[nH]n2)cc1 ZINC000091594627 542814987 /nfs/dbraw/zinc/81/49/87/542814987.db2.gz OIVGIHMDPJXPAK-INIZCTEOSA-N 1 1 372.469 2.052 50 0 FEAAMO Cc1cccc(OCCN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1C ZINC000091594925 542815036 /nfs/dbraw/zinc/81/50/36/542815036.db2.gz YPJZCUHPQCLONJ-NRFANRHFSA-N 1 1 359.514 2.311 50 0 FEAAMO CCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)n4c(C)cccc4n3)C2)C1=O ZINC000091754602 542823671 /nfs/dbraw/zinc/82/36/71/542823671.db2.gz DYRFFQWANVQKBW-NRFANRHFSA-N 1 1 368.481 2.227 50 0 FEAAMO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)n(C)n1 ZINC000091781816 542826272 /nfs/dbraw/zinc/82/62/72/542826272.db2.gz KSFYHCFLYUYMAQ-UHFFFAOYSA-N 1 1 355.486 2.362 50 0 FEAAMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)n(C)n1 ZINC000091781816 542826274 /nfs/dbraw/zinc/82/62/74/542826274.db2.gz KSFYHCFLYUYMAQ-UHFFFAOYSA-N 1 1 355.486 2.362 50 0 FEAAMO Cc1ccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C3CCOCC3)C4)cn2c1 ZINC000091808014 542826533 /nfs/dbraw/zinc/82/65/33/542826533.db2.gz GGSHWVRGCTWBHP-FUHWJXTLSA-N 1 1 368.481 2.358 50 0 FEAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1 ZINC000091830515 542827721 /nfs/dbraw/zinc/82/77/21/542827721.db2.gz GZGOYSOSTLVVOR-LJQANCHMSA-N 1 1 367.497 2.374 50 0 FEAAMO O=C(c1ccco1)N1CCO[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034667049 136117812 /nfs/dbraw/zinc/11/78/12/136117812.db2.gz PULKWYUOBHJANK-GOSISDBHSA-N 1 1 373.428 2.082 50 0 FEAAMO CN(Cc1cc(-c2ccccn2)no1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065410782 136136283 /nfs/dbraw/zinc/13/62/83/136136283.db2.gz FEUADIDZAREMGS-UHFFFAOYSA-N 1 1 366.425 2.124 50 0 FEAAMO Cc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071416229 136139125 /nfs/dbraw/zinc/13/91/25/136139125.db2.gz DEUCXTHKJUPPGQ-KRWDZBQOSA-N 1 1 357.502 2.088 50 0 FEAAMO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000072418632 136145620 /nfs/dbraw/zinc/14/56/20/136145620.db2.gz JWUSJOBCSJUUQP-UHFFFAOYSA-N 1 1 354.454 2.256 50 0 FEAAMO Cc1ncn(-c2cc(N3CCN(C(=O)c4ccco4)CC3)[nH+]c(C)n2)c1C ZINC000072437288 136147424 /nfs/dbraw/zinc/14/74/24/136147424.db2.gz BPEJNCGWTKFPQG-UHFFFAOYSA-N 1 1 366.425 2.143 50 0 FEAAMO CC(C)C[N@H+]1CCN(Cc2sc(N(C)C)nc2Cl)C[C@H]1CCO ZINC000104461365 543132316 /nfs/dbraw/zinc/13/23/16/543132316.db2.gz WOQMEYOTMWVGCC-CYBMUJFWSA-N 1 1 360.955 2.387 50 0 FEAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(CO)o3)C[C@H]2CCO)cc1 ZINC000104500841 543132588 /nfs/dbraw/zinc/13/25/88/543132588.db2.gz MGTXXKGGNXJZBX-GOSISDBHSA-N 1 1 374.481 2.239 50 0 FEAAMO CCOc1ccc(C[N@H+]2CCN(Cc3ccc(CO)o3)C[C@H]2CCO)cc1 ZINC000104500841 543132589 /nfs/dbraw/zinc/13/25/89/543132589.db2.gz MGTXXKGGNXJZBX-GOSISDBHSA-N 1 1 374.481 2.239 50 0 FEAAMO CC(C)n1ccnc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000108032121 543282184 /nfs/dbraw/zinc/28/21/84/543282184.db2.gz YSTRASOCCHCGBD-OAQYLSRUSA-N 1 1 373.545 2.373 50 0 FEAAMO COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000109049875 543312041 /nfs/dbraw/zinc/31/20/41/543312041.db2.gz AEKZBCWOHWSMAP-BFYDXBDKSA-N 1 1 362.470 2.418 50 0 FEAAMO COCCN(Cc1c(C)nn(C)c1C)C(=O)NCC[C@H]1CCCC[N@H+]1C ZINC000426425443 263587110 /nfs/dbraw/zinc/58/71/10/263587110.db2.gz OCLZZWSGAFDLHM-QGZVFWFLSA-N 1 1 365.522 2.069 50 0 FEAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426504625 263612147 /nfs/dbraw/zinc/61/21/47/263612147.db2.gz QUMOZHOKXUFESZ-GOSISDBHSA-N 1 1 358.442 2.059 50 0 FEAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(-c2ncccc2F)cc1 ZINC000426623140 263645363 /nfs/dbraw/zinc/64/53/63/263645363.db2.gz ZLKBQZAWUDKADZ-QGZVFWFLSA-N 1 1 357.429 2.464 50 0 FEAAMO CCCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)[nH+]2)CC1 ZINC000085534085 519907879 /nfs/dbraw/zinc/90/78/79/519907879.db2.gz WHCRZNVJEQMBLQ-UHFFFAOYSA-N 1 1 356.474 2.426 50 0 FEAAMO CCN(C)c1ccc(C(=O)N2CCC([N@@H+](C)CC(=O)NC(C)C)CC2)cc1 ZINC000089960879 520275119 /nfs/dbraw/zinc/27/51/19/520275119.db2.gz OPMLZYKZLKJOKJ-UHFFFAOYSA-N 1 1 374.529 2.204 50 0 FEAAMO CN(C)[C@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1cccc(F)c1 ZINC000091656270 522063231 /nfs/dbraw/zinc/06/32/31/522063231.db2.gz YSVVSLXUEYOXCE-IBGZPJMESA-N 1 1 358.461 2.074 50 0 FEAAMO COc1cc(COC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000248029111 522499701 /nfs/dbraw/zinc/49/97/01/522499701.db2.gz NSGAMEJUVFZLSE-GDBMZVCRSA-N 1 1 353.459 2.464 50 0 FEAAMO CN(CCc1ccccc1)Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000244678831 522951763 /nfs/dbraw/zinc/95/17/63/522951763.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 1 1 368.481 2.269 50 0 FEAAMO CN(CCc1ccccc1)Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000244678831 522951771 /nfs/dbraw/zinc/95/17/71/522951771.db2.gz ILBXDEZLMOIEDS-SFHVURJKSA-N 1 1 368.481 2.269 50 0 FEAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCOCC2)cc1 ZINC000020994505 523342252 /nfs/dbraw/zinc/34/22/52/523342252.db2.gz OUEHJSPIMWRUKV-OAQYLSRUSA-N 1 1 370.493 2.391 50 0 FEAAMO COc1ccc(/C=C/C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000083957525 523390205 /nfs/dbraw/zinc/39/02/05/523390205.db2.gz XPNGDYDQPWDLSJ-SYJIQKIWSA-N 1 1 362.470 2.070 50 0 FEAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2cccn2)C3)cc1 ZINC000091381689 524042407 /nfs/dbraw/zinc/04/24/07/524042407.db2.gz RZJKDHNDVDMRDR-RBUKOAKNSA-N 1 1 368.481 2.405 50 0 FEAAMO Cc1[nH]c2c(c1CC(=O)NCC[N@H+]1CCC[C@@H](CO)C1)c(C)ccc2C ZINC000091690553 525415859 /nfs/dbraw/zinc/41/58/59/525415859.db2.gz WXMOZWAUVQHSEE-QGZVFWFLSA-N 1 1 357.498 2.456 50 0 FEAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N(Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000091663634 526512008 /nfs/dbraw/zinc/51/20/08/526512008.db2.gz GKFNNVJUIGASDP-LJQANCHMSA-N 1 1 364.453 2.403 50 0 FEAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)c1ccc(CO)o1 ZINC000082126237 526645388 /nfs/dbraw/zinc/64/53/88/526645388.db2.gz WCFJYGUSMJZSEE-UHFFFAOYSA-N 1 1 372.469 2.437 50 0 FEAAMO OCCc1cn(C[C@H]2CCC[N@@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000020783932 527574635 /nfs/dbraw/zinc/57/46/35/527574635.db2.gz XVBKEADKZYOTGR-AWEZNQCLSA-N 1 1 357.483 2.335 50 0 FEAAMO CCNc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]c(C)n1 ZINC000077128459 535522414 /nfs/dbraw/zinc/52/24/14/535522414.db2.gz DACCTXPOUAYBHO-OAHLLOKOSA-N 1 1 369.469 2.333 50 0 FEAAMO CCNc1cc[nH+]c(N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 ZINC000072454029 535526743 /nfs/dbraw/zinc/52/67/43/535526743.db2.gz NRDZCMMXQMCBCS-OAHLLOKOSA-N 1 1 370.505 2.017 50 0 FEAAMO C[NH+](C)CCNCc1cc2ccc(F)cc2nc1N1CCC[C@@H](CO)C1 ZINC000299771830 535891768 /nfs/dbraw/zinc/89/17/68/535891768.db2.gz YWTFUOFBBZSUTI-OAHLLOKOSA-N 1 1 360.477 2.234 50 0 FEAAMO CO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)N1CCCc3cc(C)ccc31)CC2 ZINC000091935258 536805397 /nfs/dbraw/zinc/80/53/97/536805397.db2.gz NJPUBHWVSQXCRJ-MOPGFXCFSA-N 1 1 358.482 2.136 50 0 FEAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000170608060 546164484 /nfs/dbraw/zinc/16/44/84/546164484.db2.gz FRBWBHNWPKRKKY-NSHDSACASA-N 1 1 364.437 2.165 50 0 FEAAMO C[NH+]1CCN(C(=O)c2ccc(NCc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000170616136 546165600 /nfs/dbraw/zinc/16/56/00/546165600.db2.gz CVFWSLUBJXPRIP-SANMLTNESA-N 1 1 371.506 2.424 50 0 FEAAMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000171239869 546199303 /nfs/dbraw/zinc/19/93/03/546199303.db2.gz GGKHGNDSFSDSLG-GOSISDBHSA-N 1 1 360.502 2.007 50 0 FEAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(c2cc[nH]n2)CC1 ZINC000174031446 546290006 /nfs/dbraw/zinc/29/00/06/546290006.db2.gz RVEDGTSYWMNSAU-IBGZPJMESA-N 1 1 368.481 2.407 50 0 FEAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(c2cc[nH]n2)CC1 ZINC000174031446 546290011 /nfs/dbraw/zinc/29/00/11/546290011.db2.gz RVEDGTSYWMNSAU-IBGZPJMESA-N 1 1 368.481 2.407 50 0 FEAAMO Cc1ccc(N2CCC(C(=O)NCc3nc4cccnc4[nH]3)CC2)[nH+]c1 ZINC000194226521 548452491 /nfs/dbraw/zinc/45/24/91/548452491.db2.gz SKJHVHCVRAUICU-UHFFFAOYSA-N 1 1 350.426 2.194 50 0 FEAAMO Cc1ccc(NCCCNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc32)[nH+]c1 ZINC000215186077 548669109 /nfs/dbraw/zinc/66/91/09/548669109.db2.gz RLXFUNSDYNXITH-AWEZNQCLSA-N 1 1 365.437 2.348 50 0 FEAAMO Cc1cnccc1C[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000215677355 548672746 /nfs/dbraw/zinc/67/27/46/548672746.db2.gz VORJBRYHLPROJP-UHFFFAOYSA-N 1 1 369.465 2.260 50 0 FEAAMO Cn1cc(CCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000215538193 548672827 /nfs/dbraw/zinc/67/28/27/548672827.db2.gz DVDFQJWKRDJDDS-UHFFFAOYSA-N 1 1 362.424 2.412 50 0 FEAAMO Cc1c2cc(F)ccc2n(C)c1C(=O)NCC1(C[NH+]2CCOCC2)CC1 ZINC000215587409 548673732 /nfs/dbraw/zinc/67/37/32/548673732.db2.gz RQUPWETTXONJRI-UHFFFAOYSA-N 1 1 359.445 2.468 50 0 FEAAMO Fc1ccccc1-c1ccc(C[NH+]2CCN(CCn3cncn3)CC2)o1 ZINC000215815313 548674344 /nfs/dbraw/zinc/67/43/44/548674344.db2.gz GQPADSSDFCZDRY-UHFFFAOYSA-N 1 1 355.417 2.495 50 0 FEAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2c(c(C)n1)CCC2 ZINC000219837770 548696324 /nfs/dbraw/zinc/69/63/24/548696324.db2.gz CEGITMPBJSYLMJ-HXUWFJFHSA-N 1 1 364.493 2.379 50 0 FEAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2c(c(C)n1)CCC2 ZINC000219837770 548696330 /nfs/dbraw/zinc/69/63/30/548696330.db2.gz 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ZINC000244811542 548895606 /nfs/dbraw/zinc/89/56/06/548895606.db2.gz SGNQBOBQPCKCII-HXUWFJFHSA-N 1 1 371.525 2.364 50 0 FEAAMO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000244816901 548895850 /nfs/dbraw/zinc/89/58/50/548895850.db2.gz SQMXUKUOBVVOKQ-SFHVURJKSA-N 1 1 369.469 2.387 50 0 FEAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)nc2ccccc21 ZINC000248126716 549407948 /nfs/dbraw/zinc/40/79/48/549407948.db2.gz LZCGEGAPVWCKHU-UHFFFAOYSA-N 1 1 369.513 2.042 50 0 FEAAMO CCn1nc(C)c(NC(=O)CN2CCC(Cn3cc[nH+]c3C)CC2)c1C ZINC000252485087 549667875 /nfs/dbraw/zinc/66/78/75/549667875.db2.gz GNJMEVFSHFKNBQ-UHFFFAOYSA-N 1 1 358.490 2.375 50 0 FEAAMO [NH3+]Cc1cccc(C(=O)Nc2ccc3nc(CN4CCOCC4)[nH]c3c2)c1 ZINC000252490181 549668801 /nfs/dbraw/zinc/66/88/01/549668801.db2.gz KLGMXYMIALUTAH-UHFFFAOYSA-N 1 1 365.437 2.106 50 0 FEAAMO Cc1cc(C)n(CCC(=O)N2CC[C@@H]3C[N@H+](Cc4cccnc4)[C@@H]3C2)n1 ZINC000257191378 549715619 /nfs/dbraw/zinc/71/56/19/549715619.db2.gz QELAMBSFMWRIIW-RTBURBONSA-N 1 1 353.470 2.018 50 0 FEAAMO Cc1cc(C)n(CCC(=O)N2CC[C@@H]3C[N@@H+](Cc4cccnc4)[C@@H]3C2)n1 ZINC000257191378 549715624 /nfs/dbraw/zinc/71/56/24/549715624.db2.gz QELAMBSFMWRIIW-RTBURBONSA-N 1 1 353.470 2.018 50 0 FEAAMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000283390541 551358525 /nfs/dbraw/zinc/35/85/25/551358525.db2.gz APGOORHEXOJDKQ-IBGZPJMESA-N 1 1 374.529 2.005 50 0 FEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1cccc2n[nH]nc21 ZINC000299757538 553611178 /nfs/dbraw/zinc/61/11/78/553611178.db2.gz JERSTFIZIWHBMI-UHFFFAOYSA-N 1 1 358.446 2.115 50 0 FEAAMO Cc1[nH+]ccn1Cc1cccc(-c2noc([C@H]3C[C@H]3C(=O)N(C)C)n2)c1 ZINC000351401366 554854362 /nfs/dbraw/zinc/85/43/62/554854362.db2.gz CAGFFXMDYYGQAW-JKSUJKDBSA-N 1 1 351.410 2.482 50 0 FEAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cccc(-c3cnc(N)cn3)c2)CC1 ZINC000426494293 559735857 /nfs/dbraw/zinc/73/58/57/559735857.db2.gz NJXFIZQCPACRAF-UHFFFAOYSA-N 1 1 362.437 2.441 50 0 FEAAMO Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)c(C)n1 ZINC000426505637 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COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000008895982 539493894 /nfs/dbraw/zinc/49/38/94/539493894.db2.gz OQWKZEFTFIAAHZ-AWEZNQCLSA-N 1 1 370.496 2.347 50 0 FEAAMO C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009087313 539498034 /nfs/dbraw/zinc/49/80/34/539498034.db2.gz NSWSAHFNABCYGA-FOIQADDNSA-N 1 1 370.453 2.067 50 0 FEAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000009595490 539504764 /nfs/dbraw/zinc/50/47/64/539504764.db2.gz RJINPVDNXGHIQD-CVEARBPZSA-N 1 1 358.486 2.201 50 0 FEAAMO CNC(=O)[C@H]1CN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c2ccccc2O1 ZINC000010101873 539512572 /nfs/dbraw/zinc/51/25/72/539512572.db2.gz BMFAZEDIKAQUFV-HNAYVOBHSA-N 1 1 367.449 2.220 50 0 FEAAMO CNC(=O)[C@H]1CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c2ccccc2O1 ZINC000010101873 539512576 /nfs/dbraw/zinc/51/25/76/539512576.db2.gz BMFAZEDIKAQUFV-HNAYVOBHSA-N 1 1 367.449 2.220 50 0 FEAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000011500165 539529521 /nfs/dbraw/zinc/52/95/21/539529521.db2.gz WOLJWQFIJODZNR-SCLBCKFNSA-N 1 1 371.412 2.098 50 0 FEAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000011500165 539529522 /nfs/dbraw/zinc/52/95/22/539529522.db2.gz WOLJWQFIJODZNR-SCLBCKFNSA-N 1 1 371.412 2.098 50 0 FEAAMO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000012595137 539566947 /nfs/dbraw/zinc/56/69/47/539566947.db2.gz IAHZDGGXOWRWNE-AWEZNQCLSA-N 1 1 351.472 2.041 50 0 FEAAMO O=C(CCCN1CCCC1=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012748088 539571695 /nfs/dbraw/zinc/57/16/95/539571695.db2.gz WBDKMEORFGWIEG-LJQANCHMSA-N 1 1 357.498 2.212 50 0 FEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cncc(Br)c2)C[C@@H](C)O1 ZINC000012819674 539575880 /nfs/dbraw/zinc/57/58/80/539575880.db2.gz SJFJUIMNCMAHLM-VXGBXAGGSA-N 1 1 370.291 2.462 50 0 FEAAMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000013613003 539588732 /nfs/dbraw/zinc/58/87/32/539588732.db2.gz 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CC(C)(C)NC(=O)N1CC[NH+]([C@H](C(=O)N2CCCC2)C2CCCC2)CC1 ZINC000036310660 208151663 /nfs/dbraw/zinc/15/16/63/208151663.db2.gz AYXCLTFEPOPZEM-KRWDZBQOSA-N 1 1 364.534 2.293 50 0 FEAAMO COC(=O)CCNC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039413458 208210355 /nfs/dbraw/zinc/21/03/55/208210355.db2.gz SNPRYOAOKFYNAT-UHFFFAOYSA-N 1 1 366.461 2.335 50 0 FEAAMO COc1cc(CNC(=O)C[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000038415308 208200892 /nfs/dbraw/zinc/20/08/92/208200892.db2.gz JOYZGZFSMFALQY-UHFFFAOYSA-N 1 1 370.449 2.387 50 0 FEAAMO COc1cc(CNC(=O)C[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000038415308 208200900 /nfs/dbraw/zinc/20/09/00/208200900.db2.gz JOYZGZFSMFALQY-UHFFFAOYSA-N 1 1 370.449 2.387 50 0 FEAAMO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000038537929 208203356 /nfs/dbraw/zinc/20/33/56/208203356.db2.gz LARLQVYZLIPIBV-UHFFFAOYSA-N 1 1 361.305 2.411 50 0 FEAAMO COCCC[C@H]1CCCC[N@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077320637 542366406 /nfs/dbraw/zinc/36/64/06/542366406.db2.gz 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O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1cccc(Cl)c1 ZINC000018093437 220222725 /nfs/dbraw/zinc/22/27/25/220222725.db2.gz SGJNLIKYZASJIE-CQSZACIVSA-N 1 1 358.781 2.490 50 0 FEAAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000023373256 211385959 /nfs/dbraw/zinc/38/59/59/211385959.db2.gz GHKBLQCVEHURFQ-FQEVSTJZSA-N 1 1 355.482 2.467 50 0 FEAAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000023373256 211385964 /nfs/dbraw/zinc/38/59/64/211385964.db2.gz GHKBLQCVEHURFQ-FQEVSTJZSA-N 1 1 355.482 2.467 50 0 FEAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000023373256 211385969 /nfs/dbraw/zinc/38/59/69/211385969.db2.gz GHKBLQCVEHURFQ-FQEVSTJZSA-N 1 1 355.482 2.467 50 0 FEAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 ZINC000023373256 211385975 /nfs/dbraw/zinc/38/59/75/211385975.db2.gz GHKBLQCVEHURFQ-FQEVSTJZSA-N 1 1 355.482 2.467 50 0 FEAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000022912688 211368919 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COc1cccc(OCc2nc(C(=O)N(C)C[C@@H]3CC[N@@H+](C)C3)co2)c1 ZINC000067472982 221255339 /nfs/dbraw/zinc/25/53/39/221255339.db2.gz DELFMSSQKQDFNJ-CQSZACIVSA-N 1 1 359.426 2.286 50 0 FEAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2cccc(Cl)c2)[nH+]1 ZINC000067601910 221260699 /nfs/dbraw/zinc/26/06/99/221260699.db2.gz OSFIELJGUBSMMM-UHFFFAOYSA-N 1 1 356.817 2.466 50 0 FEAAMO O=c1[nH]c2cc(F)ccc2cc1C[NH+]1CCN(CCc2ccncc2)CC1 ZINC000067727324 221277973 /nfs/dbraw/zinc/27/79/73/221277973.db2.gz BOLHCKDQHWNCDB-UHFFFAOYSA-N 1 1 366.440 2.423 50 0 FEAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)Cc3ccccc3C)no2)CC1 ZINC000067790698 221287647 /nfs/dbraw/zinc/28/76/47/221287647.db2.gz UTIGSUJXOIIXKA-UHFFFAOYSA-N 1 1 356.470 2.393 50 0 FEAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)cc1 ZINC000067868985 221298163 /nfs/dbraw/zinc/29/81/63/221298163.db2.gz BKLOEEDRNFSSFZ-CQSZACIVSA-N 1 1 373.478 2.188 50 0 FEAAMO Cn1c(C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)cc2ccccc21 ZINC000067954372 221307475 /nfs/dbraw/zinc/30/74/75/221307475.db2.gz QBMDQVWLWRAZNI-UHFFFAOYSA-N 1 1 354.498 2.420 50 0 FEAAMO Cn1c(C(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)cc2ccccc21 ZINC000067954372 221307476 /nfs/dbraw/zinc/30/74/76/221307476.db2.gz QBMDQVWLWRAZNI-UHFFFAOYSA-N 1 1 354.498 2.420 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000070715077 221335092 /nfs/dbraw/zinc/33/50/92/221335092.db2.gz XPABESOBVKXJDN-QGZVFWFLSA-N 1 1 371.506 2.253 50 0 FEAAMO COc1ccc(CCNC(=O)c2cc(N3CCC[N@@H+](C)CC3)ccn2)cc1 ZINC000071405842 221346851 /nfs/dbraw/zinc/34/68/51/221346851.db2.gz MCEWONGQYIWOLB-UHFFFAOYSA-N 1 1 368.481 2.205 50 0 FEAAMO CCN(C)C(=O)C[N@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071614404 221352314 /nfs/dbraw/zinc/35/23/14/221352314.db2.gz YXSSZDCVCWZNAE-SFHVURJKSA-N 1 1 363.477 2.363 50 0 FEAAMO CC(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071746633 221358034 /nfs/dbraw/zinc/35/80/34/221358034.db2.gz PZUDJYDAZBODLH-KRWDZBQOSA-N 1 1 372.513 2.057 50 0 FEAAMO 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372.444 2.277 50 0 FEAAMO CCC(C)(CC)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000072153360 541790354 /nfs/dbraw/zinc/79/03/54/541790354.db2.gz AHRQQDUIXMUKSU-SFHVURJKSA-N 1 1 357.498 2.039 50 0 FEAAMO CCC(C)(CC)NC(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000072153360 541790357 /nfs/dbraw/zinc/79/03/57/541790357.db2.gz AHRQQDUIXMUKSU-SFHVURJKSA-N 1 1 357.498 2.039 50 0 FEAAMO Cc1c2ccccc2sc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072164043 541792996 /nfs/dbraw/zinc/79/29/96/541792996.db2.gz GFOIPIZKXRUENA-OAHLLOKOSA-N 1 1 357.479 2.246 50 0 FEAAMO O=S(=O)(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1cccnc1 ZINC000072166195 541794467 /nfs/dbraw/zinc/79/44/67/541794467.db2.gz JMCVJJWEKNTRKQ-SFHVURJKSA-N 1 1 359.495 2.457 50 0 FEAAMO CC(C)Cc1nc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)no1 ZINC000072418763 541808029 /nfs/dbraw/zinc/80/80/29/541808029.db2.gz MFMRTNQKTRGQPG-OAHLLOKOSA-N 1 1 364.515 2.398 50 0 FEAAMO CC(C)Cc1nc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)no1 ZINC000072418763 541808033 /nfs/dbraw/zinc/80/80/33/541808033.db2.gz MFMRTNQKTRGQPG-OAHLLOKOSA-N 1 1 364.515 2.398 50 0 FEAAMO O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072428601 541812003 /nfs/dbraw/zinc/81/20/03/541812003.db2.gz FMBKNOUUGPXRRC-KRWDZBQOSA-N 1 1 353.451 2.079 50 0 FEAAMO CN1CC[NH+](CC(C)(C)NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072438119 541814416 /nfs/dbraw/zinc/81/44/16/541814416.db2.gz GRIQSCOEVHHWPW-UHFFFAOYSA-N 1 1 361.530 2.146 50 0 FEAAMO COc1cccc(C[N@H+]2CCc3ncnc(N[C@@H]4CCOC4)c3CC2)c1 ZINC000072469286 541818074 /nfs/dbraw/zinc/81/80/74/541818074.db2.gz DQPOJHZAJHBWIZ-MRXNPFEDSA-N 1 1 354.454 2.287 50 0 FEAAMO COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)cc1F ZINC000072439193 541815143 /nfs/dbraw/zinc/81/51/43/541815143.db2.gz GNQXEYFJWIJWBI-DOTOQJQBSA-N 1 1 350.434 2.030 50 0 FEAAMO c1coc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CC[NH2+]CC3)c1 ZINC000072478961 541820584 /nfs/dbraw/zinc/82/05/84/541820584.db2.gz DOSMBPAJYUGYEP-UHFFFAOYSA-N 1 1 350.426 2.249 50 0 FEAAMO Cc1ccn2cc(C(=O)N3CCC[C@@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000058305940 212003716 /nfs/dbraw/zinc/00/37/16/212003716.db2.gz GUBJWXWPJFIAJX-IXDOHACOSA-N 1 1 356.470 2.357 50 0 FEAAMO Cc1ccn2cc(C(=O)N3CCC[C@@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000058305940 212003720 /nfs/dbraw/zinc/00/37/20/212003720.db2.gz GUBJWXWPJFIAJX-IXDOHACOSA-N 1 1 356.470 2.357 50 0 FEAAMO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1 ZINC000013096737 220057691 /nfs/dbraw/zinc/05/76/91/220057691.db2.gz DDYRLDSZGDCUJD-UHFFFAOYSA-N 1 1 367.858 2.058 50 0 FEAAMO C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)cc1 ZINC000013096737 220057693 /nfs/dbraw/zinc/05/76/93/220057693.db2.gz DDYRLDSZGDCUJD-UHFFFAOYSA-N 1 1 367.858 2.058 50 0 FEAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)cc(=O)[nH]1 ZINC000023479144 211390458 /nfs/dbraw/zinc/39/04/58/211390458.db2.gz WNYGELGFGWSVGM-MRXNPFEDSA-N 1 1 350.426 2.039 50 0 FEAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1F ZINC000022781644 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CCOC(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C ZINC000015206698 211125345 /nfs/dbraw/zinc/12/53/45/211125345.db2.gz CPESIURSNKFNQB-UHFFFAOYSA-N 1 1 364.471 2.311 50 0 FEAAMO CN(C)S(=O)(=O)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000015063248 211117521 /nfs/dbraw/zinc/11/75/21/211117521.db2.gz WSYTUZZOARDAAF-IBGZPJMESA-N 1 1 365.543 2.069 50 0 FEAAMO Cc1csc(C[NH2+]C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)n1 ZINC000015063255 211116558 /nfs/dbraw/zinc/11/65/58/211116558.db2.gz NRLXLLNPMCOVRH-IBGZPJMESA-N 1 1 359.495 2.403 50 0 FEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCOc1ccccc1F ZINC000014246757 211088245 /nfs/dbraw/zinc/08/82/45/211088245.db2.gz SDNUAPPESDNNRS-GFCCVEGCSA-N 1 1 372.400 2.333 50 0 FEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCOc1ccccc1F ZINC000014246757 211088246 /nfs/dbraw/zinc/08/82/46/211088246.db2.gz SDNUAPPESDNNRS-GFCCVEGCSA-N 1 1 372.400 2.333 50 0 FEAAMO COc1cc(CNCCC[NH2+]CCO)ccc1OCCc1ccccc1 ZINC000013733182 211053578 /nfs/dbraw/zinc/05/35/78/211053578.db2.gz RLJBOTUEQFSIJH-UHFFFAOYSA-N 1 1 358.482 2.378 50 0 FEAAMO COC(=O)C1C(C[N@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566279 211040961 /nfs/dbraw/zinc/04/09/61/211040961.db2.gz CESBUDCKGYCTQM-SCLBCKFNSA-N 1 1 373.453 2.208 50 0 FEAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH+]2CCC(O)CC2)cs1 ZINC000013004586 211018952 /nfs/dbraw/zinc/01/89/52/211018952.db2.gz HKLBKKUEFBUUIJ-UHFFFAOYSA-N 1 1 357.479 2.464 50 0 FEAAMO CCC(CC)[C@@H](CNC(=O)[C@H]1COc2ccccc2C1)[NH+]1CCOCC1 ZINC000012937254 211010291 /nfs/dbraw/zinc/01/02/91/211010291.db2.gz ILBOMHRGHXZFIR-RTBURBONSA-N 1 1 360.498 2.491 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)N1CCc2ccccc21 ZINC000077320162 542366564 /nfs/dbraw/zinc/36/65/64/542366564.db2.gz RCIRDXUEMWYJQV-JOCHJYFZSA-N 1 1 367.493 2.443 50 0 FEAAMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)N1CCc2ccccc21 ZINC000077320162 542366568 /nfs/dbraw/zinc/36/65/68/542366568.db2.gz RCIRDXUEMWYJQV-JOCHJYFZSA-N 1 1 367.493 2.443 50 0 FEAAMO Cn1nnc(-c2ccc(C(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2)n1 ZINC000077323125 542367654 /nfs/dbraw/zinc/36/76/54/542367654.db2.gz MNEDVDBQBAIZLP-UHFFFAOYSA-N 1 1 368.485 2.358 50 0 FEAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019774333 220296205 /nfs/dbraw/zinc/29/62/05/220296205.db2.gz HHDHZLNDMAYQDO-SJORKVTESA-N 1 1 362.433 2.441 50 0 FEAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019774333 220296208 /nfs/dbraw/zinc/29/62/08/220296208.db2.gz HHDHZLNDMAYQDO-SJORKVTESA-N 1 1 362.433 2.441 50 0 FEAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c1OC ZINC000077375234 542374339 /nfs/dbraw/zinc/37/43/39/542374339.db2.gz YECDMMCUFDICKG-AWEZNQCLSA-N 1 1 358.442 2.069 50 0 FEAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)c1OC ZINC000077375234 542374341 /nfs/dbraw/zinc/37/43/41/542374341.db2.gz YECDMMCUFDICKG-AWEZNQCLSA-N 1 1 358.442 2.069 50 0 FEAAMO Cn1ccnc1CC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000077426541 542381058 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FEAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)NC(C)C)CC3)n2)cc1 ZINC000065184236 221176360 /nfs/dbraw/zinc/17/63/60/221176360.db2.gz FBASKICPFZAFFC-UHFFFAOYSA-N 1 1 358.442 2.449 50 0 FEAAMO Cc1cccc(CN2CCN(C(=O)CC[C@H]3CCC[N@H+](C)C3)CC2=O)c1 ZINC000065496280 221226796 /nfs/dbraw/zinc/22/67/96/221226796.db2.gz JCWKWICUKVYVAU-GOSISDBHSA-N 1 1 357.498 2.288 50 0 FEAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1(CN2CCOCC2)CCCCC1 ZINC000065506868 221228824 /nfs/dbraw/zinc/22/88/24/221228824.db2.gz HSJAIKKKHVHPQB-GOSISDBHSA-N 1 1 351.535 2.402 50 0 FEAAMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000079092470 542498710 /nfs/dbraw/zinc/49/87/10/542498710.db2.gz DIZLVJXQBSTYGE-PWSUYJOCSA-N 1 1 372.874 2.030 50 0 FEAAMO COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000079092470 542498712 /nfs/dbraw/zinc/49/87/12/542498712.db2.gz DIZLVJXQBSTYGE-PWSUYJOCSA-N 1 1 372.874 2.030 50 0 FEAAMO Cc1cccc([C@H](C(=O)NCc2nc(-c3cccnc3)no2)[NH+](C)C)c1 ZINC000065530567 221231453 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FEAAMO COc1ccccc1-c1cccc(C(=O)N2CCN3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000299782281 210025172 /nfs/dbraw/zinc/02/51/72/210025172.db2.gz MKQOFWADMFUMTD-LJQANCHMSA-N 1 1 365.477 2.434 50 0 FEAAMO COc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000012583975 539567012 /nfs/dbraw/zinc/56/70/12/539567012.db2.gz HLGJXSSOPVFZKO-IBGZPJMESA-N 1 1 370.497 2.353 50 0 FEAAMO CCCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012591341 539567072 /nfs/dbraw/zinc/56/70/72/539567072.db2.gz JOAZFEBTFDOCKB-IBGZPJMESA-N 1 1 373.545 2.218 50 0 FEAAMO CCCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012591341 539567077 /nfs/dbraw/zinc/56/70/77/539567077.db2.gz JOAZFEBTFDOCKB-IBGZPJMESA-N 1 1 373.545 2.218 50 0 FEAAMO CO[C@]12CC[N@@H+](Cc3cnc(N)nc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299778123 210023291 /nfs/dbraw/zinc/02/32/91/210023291.db2.gz LVFCLZAQNSIJNB-JTDSTZFVSA-N 1 1 355.442 2.045 50 0 FEAAMO O=C([C@@H](c1cccnc1)[NH+]1CCCC1)N1CCC(O)(c2ccccn2)CC1 ZINC000299769253 210016333 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Cc1nc([C@H]2CCCN(c3nc(N(C)C)[nH+]c4c3CCCC4)C2)cc(=O)[nH]1 ZINC000023620179 539717425 /nfs/dbraw/zinc/71/74/25/539717425.db2.gz PFSYSQGPSLMKTA-AWEZNQCLSA-N 1 1 368.485 2.197 50 0 FEAAMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000024781996 539740588 /nfs/dbraw/zinc/74/05/88/539740588.db2.gz NLMVYZAZTHWSCT-NSHDSACASA-N 1 1 368.275 2.234 50 0 FEAAMO Cc1cc(=O)oc2ccc(OCCCCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000025757326 539768541 /nfs/dbraw/zinc/76/85/41/539768541.db2.gz VUXYUIPXCFARAK-UHFFFAOYSA-N 1 1 358.438 2.425 50 0 FEAAMO O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032732053 539950319 /nfs/dbraw/zinc/95/03/19/539950319.db2.gz YTMBOOYJFKAMDL-GOSISDBHSA-N 1 1 371.868 2.461 50 0 FEAAMO Cc1c(C(=O)NCC[N@H+](C)Cc2ccccc2)sc2[nH]cnc(=O)c12 ZINC000033073370 539966314 /nfs/dbraw/zinc/96/63/14/539966314.db2.gz RVKGQFUOBONZOQ-UHFFFAOYSA-N 1 1 356.451 2.155 50 0 FEAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000034667255 539977007 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CCN1CC[NH+](Cc2ccccc2CNC(=O)CCc2ccncc2)CC1 ZINC000052877513 540497207 /nfs/dbraw/zinc/49/72/07/540497207.db2.gz PHGUROWKSHDXJH-UHFFFAOYSA-N 1 1 366.509 2.468 50 0 FEAAMO CC[C@H](C)Oc1c(C[NH+]2CCC(NS(C)(=O)=O)CC2)cccc1OC ZINC000055152798 540631400 /nfs/dbraw/zinc/63/14/00/540631400.db2.gz HWKYYDKMFZCSJT-AWEZNQCLSA-N 1 1 370.515 2.386 50 0 FEAAMO Cc1ccc(NC(=O)CC(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000055036008 540622882 /nfs/dbraw/zinc/62/28/82/540622882.db2.gz MLWMGFDJVJBRHJ-UHFFFAOYSA-N 1 1 366.465 2.106 50 0 FEAAMO CSCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055042534 540623401 /nfs/dbraw/zinc/62/34/01/540623401.db2.gz YJWCYKTURNGEOB-KRWDZBQOSA-N 1 1 351.491 2.302 50 0 FEAAMO COC(=O)C1C(C[NH2+]C2CCCCC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000055065515 540625367 /nfs/dbraw/zinc/62/53/67/540625367.db2.gz GKARZXJQIAYBQK-GOSISDBHSA-N 1 1 373.453 2.399 50 0 FEAAMO C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@H](C)O1 ZINC000055869919 540683084 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369.444 2.452 50 0 FEAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@H](N4CCOCC4)C3)cc(=O)c2c1 ZINC000072153174 541790743 /nfs/dbraw/zinc/79/07/43/541790743.db2.gz NKJMCDJEUGCZOV-SFHVURJKSA-N 1 1 355.482 2.442 50 0 FEAAMO COCc1c(C)onc1C(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072162790 541792267 /nfs/dbraw/zinc/79/22/67/541792267.db2.gz MTMIZOKNTYIPJK-GOSISDBHSA-N 1 1 369.465 2.445 50 0 FEAAMO COC(=O)COc1ccc(CN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000072163805 541793142 /nfs/dbraw/zinc/79/31/42/541793142.db2.gz VPGNOLYJEDUCCR-HNNXBMFYSA-N 1 1 362.470 2.306 50 0 FEAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(c2ccccn2)C1 ZINC000072163248 541793472 /nfs/dbraw/zinc/79/34/72/541793472.db2.gz XSWGTOLUYYUIPT-LJQANCHMSA-N 1 1 351.450 2.299 50 0 FEAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(c2ccccn2)C1 ZINC000072163248 541793473 /nfs/dbraw/zinc/79/34/73/541793473.db2.gz XSWGTOLUYYUIPT-LJQANCHMSA-N 1 1 351.450 2.299 50 0 FEAAMO Cc1cc(F)cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c1 ZINC000072167831 541794925 /nfs/dbraw/zinc/79/49/25/541794925.db2.gz NQXSIYPIAQJNKE-NRFANRHFSA-N 1 1 367.424 2.110 50 0 FEAAMO O=C1CCC(=O)N1CC[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000072308434 541798184 /nfs/dbraw/zinc/79/81/84/541798184.db2.gz VPZBUZUTSOQTPS-UHFFFAOYSA-N 1 1 370.280 2.260 50 0 FEAAMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C(C)C)C2)cc(N2CCCC2)n1 ZINC000072407057 541805710 /nfs/dbraw/zinc/80/57/10/541805710.db2.gz NJHBXIJCYSLLOZ-KRWDZBQOSA-N 1 1 359.518 2.431 50 0 FEAAMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C(C)C)C2)cc(N2CCCC2)n1 ZINC000072407057 541805713 /nfs/dbraw/zinc/80/57/13/541805713.db2.gz NJHBXIJCYSLLOZ-KRWDZBQOSA-N 1 1 359.518 2.431 50 0 FEAAMO COCCCN1C[C@@]2(CCC[N@H+](Cc3snnc3C)C2)CCC1=O ZINC000072409656 541806290 /nfs/dbraw/zinc/80/62/90/541806290.db2.gz NHBKZMXKTKOUQM-KRWDZBQOSA-N 1 1 352.504 2.088 50 0 FEAAMO COCCCN1C[C@@]2(CCC[N@@H+](Cc3snnc3C)C2)CCC1=O ZINC000072409656 541806291 /nfs/dbraw/zinc/80/62/91/541806291.db2.gz NHBKZMXKTKOUQM-KRWDZBQOSA-N 1 1 352.504 2.088 50 0 FEAAMO Cc1nc(C[N@@H+]2CCc3ncnc(NCc4cccnc4)c3CC2)co1 ZINC000072434520 541813598 /nfs/dbraw/zinc/81/35/98/541813598.db2.gz DEKTVIAKNZNGKR-UHFFFAOYSA-N 1 1 350.426 2.381 50 0 FEAAMO Cc1nc(C[N@H+]2CCc3ncnc(NCc4cccnc4)c3CC2)co1 ZINC000072434520 541813600 /nfs/dbraw/zinc/81/36/00/541813600.db2.gz DEKTVIAKNZNGKR-UHFFFAOYSA-N 1 1 350.426 2.381 50 0 FEAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000058311736 212005339 /nfs/dbraw/zinc/00/53/39/212005339.db2.gz NPXIADBXOSZNSY-INMHGKMJSA-N 1 1 360.454 2.172 50 0 FEAAMO C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058298834 212003508 /nfs/dbraw/zinc/00/35/08/212003508.db2.gz YAMCZMNOHHBNLT-IEBWSBKVSA-N 1 1 355.486 2.483 50 0 FEAAMO C[N@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000013323132 220063287 /nfs/dbraw/zinc/06/32/87/220063287.db2.gz PLCVXDSFKRJIGS-UHFFFAOYSA-N 1 1 365.227 2.333 50 0 FEAAMO CCn1c(O)c(C(=O)NCCC[NH+]2CCCCC2)c(=O)c2ccccc21 ZINC000019229004 220241451 /nfs/dbraw/zinc/24/14/51/220241451.db2.gz 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C[C@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)n1ccnc1 ZINC000091364730 526077366 /nfs/dbraw/zinc/07/73/66/526077366.db2.gz XGNCBWIDKVPWLF-OAHLLOKOSA-N 1 1 356.474 2.105 50 0 FEAAMO COc1cccc(OC2CN(C(=O)C[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000082098312 526226042 /nfs/dbraw/zinc/22/60/42/526226042.db2.gz FZGOWNQUNBASAP-UHFFFAOYSA-N 1 1 352.434 2.343 50 0 FEAAMO COc1cccc(OC2CN(C(=O)C[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000082098312 526226049 /nfs/dbraw/zinc/22/60/49/526226049.db2.gz FZGOWNQUNBASAP-UHFFFAOYSA-N 1 1 352.434 2.343 50 0 FEAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccc(CO)cc1 ZINC000082087523 526644905 /nfs/dbraw/zinc/64/49/05/526644905.db2.gz CEHAFWUZYUWAPA-UHFFFAOYSA-N 1 1 368.481 2.454 50 0 FEAAMO O=C(CCn1cccn1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082083351 526676233 /nfs/dbraw/zinc/67/62/33/526676233.db2.gz RWHHQNYCUAJSJI-UHFFFAOYSA-N 1 1 370.501 2.325 50 0 FEAAMO CCN1C(=O)COc2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc21 ZINC000096150728 535431982 /nfs/dbraw/zinc/43/19/82/535431982.db2.gz WZPNHXYELXRCTO-HNNXBMFYSA-N 1 1 372.425 2.449 50 0 FEAAMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2nnc(Cc3ccccc3)o2)cn1 ZINC000170591255 546161951 /nfs/dbraw/zinc/16/19/51/546161951.db2.gz PSKRQDQYCLMTKT-MSOLQXFVSA-N 1 1 367.453 2.482 50 0 FEAAMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2nnc(Cc3ccccc3)o2)cn1 ZINC000170591255 546161957 /nfs/dbraw/zinc/16/19/57/546161957.db2.gz PSKRQDQYCLMTKT-MSOLQXFVSA-N 1 1 367.453 2.482 50 0 FEAAMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000186807922 548197804 /nfs/dbraw/zinc/19/78/04/548197804.db2.gz BCEPUWOEZUAWFU-UHFFFAOYSA-N 1 1 357.410 2.279 50 0 FEAAMO COc1ccc(S(=O)(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)cn1 ZINC000193034211 548378050 /nfs/dbraw/zinc/37/80/50/548378050.db2.gz JBLHHCTYEXOUOM-UHFFFAOYSA-N 1 1 374.466 2.407 50 0 FEAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000215699771 548672630 /nfs/dbraw/zinc/67/26/30/548672630.db2.gz OAEWLDJYPSSOSJ-HXUWFJFHSA-N 1 1 373.460 2.413 50 0 FEAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000215699771 548672631 /nfs/dbraw/zinc/67/26/31/548672631.db2.gz OAEWLDJYPSSOSJ-HXUWFJFHSA-N 1 1 373.460 2.413 50 0 FEAAMO C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CCCCC[C@@H]2CO)CC1 ZINC000215864426 548674951 /nfs/dbraw/zinc/67/49/51/548674951.db2.gz ULIYXTZXOJTTDC-HXUWFJFHSA-N 1 1 361.530 2.050 50 0 FEAAMO CN1CCN(CCOc2ccccc2C[N@@H+]2CCCCC[C@@H]2CO)CC1 ZINC000215864426 548674956 /nfs/dbraw/zinc/67/49/56/548674956.db2.gz ULIYXTZXOJTTDC-HXUWFJFHSA-N 1 1 361.530 2.050 50 0 FEAAMO Cc1ccc(C[N@H+]2C[C@@H]3CN(Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677800 /nfs/dbraw/zinc/67/78/00/548677800.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 1 357.479 2.470 50 0 FEAAMO Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677806 /nfs/dbraw/zinc/67/78/06/548677806.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 1 357.479 2.470 50 0 FEAAMO Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677811 /nfs/dbraw/zinc/67/78/11/548677811.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 1 357.479 2.470 50 0 FEAAMO Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677816 /nfs/dbraw/zinc/67/78/16/548677816.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 1 357.479 2.470 50 0 FEAAMO Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677820 /nfs/dbraw/zinc/67/78/20/548677820.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 1 357.479 2.470 50 0 FEAAMO C[C@H](Cc1cccnc1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000219656862 548694956 /nfs/dbraw/zinc/69/49/56/548694956.db2.gz RGDSZXMQUSFTDV-QGZVFWFLSA-N 1 1 352.482 2.190 50 0 FEAAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](CCCn2ccnc2C)CC3)cn1 ZINC000220574446 548700765 /nfs/dbraw/zinc/70/07/65/548700765.db2.gz KSBKOPPQWNHLPJ-UHFFFAOYSA-N 1 1 352.442 2.434 50 0 FEAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](C(=O)c4ccccn4)C3)nc12 ZINC000244574937 548890447 /nfs/dbraw/zinc/89/04/47/548890447.db2.gz CTXCUNHGIVOZCU-MRXNPFEDSA-N 1 1 362.433 2.493 50 0 FEAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H](C(=O)c4ccccn4)C3)nc12 ZINC000244574937 548890453 /nfs/dbraw/zinc/89/04/53/548890453.db2.gz CTXCUNHGIVOZCU-MRXNPFEDSA-N 1 1 362.433 2.493 50 0 FEAAMO Cc1cn2c(nc(C[NH+]3CCC(O)(c4ccc(C)cn4)CC3)cc2=O)s1 ZINC000244647037 548891925 /nfs/dbraw/zinc/89/19/25/548891925.db2.gz GTWXMUUYFAOFSW-UHFFFAOYSA-N 1 1 370.478 2.251 50 0 FEAAMO O=C(CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)Nc1nccs1 ZINC000244691915 548892742 /nfs/dbraw/zinc/89/27/42/548892742.db2.gz JLCMMZWLMHQZSL-CYBMUJFWSA-N 1 1 356.455 2.394 50 0 FEAAMO Cc1cc(COc2ccccc2)oc1C(=O)N1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000244787943 548894651 /nfs/dbraw/zinc/89/46/51/548894651.db2.gz QGTQDCLHTZSRGW-KRWDZBQOSA-N 1 1 369.465 2.239 50 0 FEAAMO Cc1cc(COc2ccccc2)oc1C(=O)N1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000244787943 548894655 /nfs/dbraw/zinc/89/46/55/548894655.db2.gz QGTQDCLHTZSRGW-KRWDZBQOSA-N 1 1 369.465 2.239 50 0 FEAAMO CC(C)c1csc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC000244794944 548895935 /nfs/dbraw/zinc/89/59/35/548895935.db2.gz QWWYYLWVWCKNFD-GDBMZVCRSA-N 1 1 360.483 2.027 50 0 FEAAMO CC(C)c1csc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)n1 ZINC000244794944 548895939 /nfs/dbraw/zinc/89/59/39/548895939.db2.gz QWWYYLWVWCKNFD-GDBMZVCRSA-N 1 1 360.483 2.027 50 0 FEAAMO CC(=O)N[C@H]1C[C@@H](c2cc(NCCCNc3ccc(C)c[nH+]3)ncn2)C1 ZINC000252571519 549675133 /nfs/dbraw/zinc/67/51/33/549675133.db2.gz YCFRJFIFNMJENS-IYBDPMFKSA-N 1 1 354.458 2.476 50 0 FEAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccccc3)CC2)C12CCOCC2 ZINC000257186153 549713672 /nfs/dbraw/zinc/71/36/72/549713672.db2.gz YMPXHRAKNPGOJA-IBGZPJMESA-N 1 1 358.482 2.100 50 0 FEAAMO O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000365031401 555468961 /nfs/dbraw/zinc/46/89/61/555468961.db2.gz CCFDOPQXVLUJML-LLVKDONJSA-N 1 1 363.405 2.346 50 0 FEAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H]1CCCc2n[nH]cc21 ZINC000375848191 558088666 /nfs/dbraw/zinc/08/86/66/558088666.db2.gz CTIJLALJQFHQFL-INIZCTEOSA-N 1 1 369.469 2.295 50 0 FEAAMO CC(C)C(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426486054 559735470 /nfs/dbraw/zinc/73/54/70/559735470.db2.gz HNDZEWQFJFGTDQ-JOCHJYFZSA-N 1 1 371.525 2.316 50 0 FEAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000426530350 559736966 /nfs/dbraw/zinc/73/69/66/559736966.db2.gz CFXJZJMSUPKASJ-INIZCTEOSA-N 1 1 359.470 2.135 50 0 FEAAMO O=C(NCCn1ccc2ccccc21)N1CCC([NH+]2CCOCC2)CC1 ZINC000426535379 559737132 /nfs/dbraw/zinc/73/71/32/559737132.db2.gz BOGDARQBYYGDFS-UHFFFAOYSA-N 1 1 356.470 2.148 50 0 FEAAMO COc1cc2c(cc1OC)C[N@@H+](C1CCN(CCn3cccn3)CC1)CC2 ZINC000426544939 559737362 /nfs/dbraw/zinc/73/73/62/559737362.db2.gz FQKXLAFGVPVGIO-UHFFFAOYSA-N 1 1 370.497 2.423 50 0 FEAAMO COc1cc2c(cc1OC)C[N@H+](C1CCN(CCn3cccn3)CC1)CC2 ZINC000426544939 559737363 /nfs/dbraw/zinc/73/73/63/559737363.db2.gz FQKXLAFGVPVGIO-UHFFFAOYSA-N 1 1 370.497 2.423 50 0 FEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000426593718 559738520 /nfs/dbraw/zinc/73/85/20/559738520.db2.gz LOJKRVPPLAYWAA-QGZVFWFLSA-N 1 1 374.533 2.378 50 0 FEAAMO O=C(c1ccc(-c2cncnc2)cc1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000426641563 559739408 /nfs/dbraw/zinc/73/94/08/559739408.db2.gz PDAPCENIPDKAHX-HXUWFJFHSA-N 1 1 366.465 2.062 50 0 FEAAMO CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)C1 ZINC000530250998 562404093 /nfs/dbraw/zinc/40/40/93/562404093.db2.gz NOKLHMIKZKNYHS-SFHVURJKSA-N 1 1 352.442 2.240 50 0 FEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N3CCC[C@@H](COC)C3)cc2C1 ZINC000534590004 562537766 /nfs/dbraw/zinc/53/77/66/562537766.db2.gz JOEQNMGYXNOGAG-MRXNPFEDSA-N 1 1 363.506 2.067 50 0 FEAAMO Cc1ccc([C@@H](NC(=O)N2CC[NH+](CCO)CC2)c2cccnc2)c(C)c1 ZINC000534661875 562539688 /nfs/dbraw/zinc/53/96/88/562539688.db2.gz JMUWHWMZTIXTLM-FQEVSTJZSA-N 1 1 368.481 2.107 50 0 FEAAMO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1CCc2nc[nH]c2C1 ZINC000534669426 562539924 /nfs/dbraw/zinc/53/99/24/562539924.db2.gz SNXCCNFAMBDVSW-SFHVURJKSA-N 1 1 357.433 2.454 50 0 FEAAMO CC[NH+]1CCC(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccncc2)CC1 ZINC000215969086 568098101 /nfs/dbraw/zinc/09/81/01/568098101.db2.gz HMBOWPAAJHYCNM-HXUWFJFHSA-N 1 1 353.470 2.401 50 0 FEAAMO CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000048309341 570943311 /nfs/dbraw/zinc/94/33/11/570943311.db2.gz VDDUFZGQSUGINY-HXUWFJFHSA-N 1 1 371.525 2.396 50 0 FEAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(C(=O)C(C)C)CC3)C2)CC1 ZINC000581820233 571292832 /nfs/dbraw/zinc/29/28/32/571292832.db2.gz ZYQPRDJSIFXGAG-LJQANCHMSA-N 1 1 365.562 2.456 50 0 FEAAMO Cc1[nH+]ccn1CCN(C)C(=O)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000584884457 571313496 /nfs/dbraw/zinc/31/34/96/571313496.db2.gz BYGAHNHIBMCYSF-MRXNPFEDSA-N 1 1 359.449 2.499 50 0 FEAAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000584888615 571314279 /nfs/dbraw/zinc/31/42/79/571314279.db2.gz PULLFJDBEBOPKU-SFHVURJKSA-N 1 1 374.529 2.340 50 0 FEAAMO C[N@H+](CCC(=O)NCc1ccc2sccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000670461281 571356803 /nfs/dbraw/zinc/35/68/03/571356803.db2.gz VAANKCNDFFWRBJ-HNNXBMFYSA-N 1 1 366.508 2.027 50 0 FEAAMO C[N@@H+](CCC(=O)NCc1ccc2sccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000670461281 571356804 /nfs/dbraw/zinc/35/68/04/571356804.db2.gz VAANKCNDFFWRBJ-HNNXBMFYSA-N 1 1 366.508 2.027 50 0 FEAAMO COc1cc(C[N@H+]2CC[C@@H](C3CCN(S(C)(=O)=O)CC3)C2)ccc1F ZINC000169782029 672322118 /nfs/dbraw/zinc/32/21/18/672322118.db2.gz FFGYEGBQHRKRJB-MRXNPFEDSA-N 1 1 370.490 2.328 50 0 FEAAMO O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[N@H+](C2CCC2)CC1 ZINC000828390841 675817069 /nfs/dbraw/zinc/81/70/69/675817069.db2.gz JZKHGDQRKRRJRQ-UHFFFAOYSA-N 1 1 360.483 2.121 50 0 FEAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000952973236 681793726 /nfs/dbraw/zinc/79/37/26/681793726.db2.gz GHUDPZFCHLHGIQ-AWEZNQCLSA-N 1 1 368.524 2.490 50 0 FEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000257198579 210221711 /nfs/dbraw/zinc/22/17/11/210221711.db2.gz CQSDLWHQRFEFJJ-YQVWRLOYSA-N 1 1 373.497 2.351 50 0 FEAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000003445257 539366459 /nfs/dbraw/zinc/36/64/59/539366459.db2.gz ZKNMYNKHAIULQO-UHFFFAOYSA-N 1 1 353.488 2.140 50 0 FEAAMO CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007987340 539474176 /nfs/dbraw/zinc/47/41/76/539474176.db2.gz BBUSFXMKFVVJCZ-IBGZPJMESA-N 1 1 372.490 2.236 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1ccsc1 ZINC000008863742 539493715 /nfs/dbraw/zinc/49/37/15/539493715.db2.gz OIUOQVUACKWURM-OAHLLOKOSA-N 1 1 365.886 2.437 50 0 FEAAMO C/C=C/CN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(CCCC)c3=O ZINC000010330984 539516081 /nfs/dbraw/zinc/51/60/81/539516081.db2.gz FVEBVMQDCZZYOF-BUUCAEBMSA-N 1 1 358.446 2.030 50 0 FEAAMO O=S(=O)(Cc1ccccc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000012068965 539541642 /nfs/dbraw/zinc/54/16/42/539541642.db2.gz MENIYYYIWZBIHV-UHFFFAOYSA-N 1 1 373.522 2.318 50 0 FEAAMO Cc1nnc(SCC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000012195978 539549396 /nfs/dbraw/zinc/54/93/96/539549396.db2.gz YKTHUHOVZPTXOF-INIZCTEOSA-N 1 1 360.483 2.293 50 0 FEAAMO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)nc2)on1 ZINC000012431815 539559103 /nfs/dbraw/zinc/55/91/03/539559103.db2.gz HEHCNLYDLLVFQU-QGZVFWFLSA-N 1 1 369.469 2.237 50 0 FEAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N(Cc2ccco2)Cc2ccccn2)C1 ZINC000299798444 210038417 /nfs/dbraw/zinc/03/84/17/210038417.db2.gz SCXIOPHJLHVBEF-SFHVURJKSA-N 1 1 356.470 2.229 50 0 FEAAMO CN(CCC(=O)N(Cc1ccco1)Cc1ccccn1)[C@H]1CC[N@H+](C)C1 ZINC000299798444 210038425 /nfs/dbraw/zinc/03/84/25/210038425.db2.gz SCXIOPHJLHVBEF-SFHVURJKSA-N 1 1 356.470 2.229 50 0 FEAAMO CN(CCC(=O)N(Cc1ccco1)Cc1ccccn1)[C@H]1CC[N@@H+](C)C1 ZINC000299798444 210038429 /nfs/dbraw/zinc/03/84/29/210038429.db2.gz SCXIOPHJLHVBEF-SFHVURJKSA-N 1 1 356.470 2.229 50 0 FEAAMO O=C([C@@H]1Cc2ccccc2C(=O)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012458411 539561020 /nfs/dbraw/zinc/56/10/20/539561020.db2.gz DULJZKGNYYETGC-IBGZPJMESA-N 1 1 350.418 2.113 50 0 FEAAMO Cc1n[nH]c(C)c1-c1cccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)c1 ZINC000299790028 210031680 /nfs/dbraw/zinc/03/16/80/210031680.db2.gz AQEZKHXFMNNAPR-GOSISDBHSA-N 1 1 356.470 2.270 50 0 FEAAMO COc1ccc2cc(C[N@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)c(=O)[nH]c2c1 ZINC000299786162 210029726 /nfs/dbraw/zinc/02/97/26/210029726.db2.gz TYBGYZQHELSMRG-ZAAXVRCTSA-N 1 1 358.438 2.453 50 0 FEAAMO COCc1noc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299774613 210021758 /nfs/dbraw/zinc/02/17/58/210021758.db2.gz HFOQXIKDFHEFLM-XHSDSOJGSA-N 1 1 356.426 2.058 50 0 FEAAMO O=C(c1cccc(-c2cnccn2)c1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000299776230 210020995 /nfs/dbraw/zinc/02/09/95/210020995.db2.gz LTNXOFNDFPSQOR-LJQANCHMSA-N 1 1 366.465 2.062 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](Nc2cnc3ccccc3n2)[C@H](O)C1 ZINC000299769927 210017170 /nfs/dbraw/zinc/01/71/70/210017170.db2.gz PLYDLARFKGGKKB-QZTJIDSGSA-N 1 1 353.426 2.282 50 0 FEAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](Nc2cnc3ccccc3n2)[C@H](O)C1 ZINC000299769927 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C[C@@H](NC(=S)N1CC[NH+](CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019849583 211260463 /nfs/dbraw/zinc/26/04/63/211260463.db2.gz UAZIJBDYXXHQDW-DGTBMVLOSA-N 1 1 351.560 2.076 50 0 FEAAMO COc1ccccc1NC1=N[C@@H](c2coc3ccccc3c2=O)NC(=[NH2+])N1 ZINC000019329981 211215616 /nfs/dbraw/zinc/21/56/16/211215616.db2.gz QGGRAEYMZKOOQG-KRWDZBQOSA-N 1 1 363.377 2.396 50 0 FEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(CC3CC3)CC2)C1 ZINC000019218918 211206642 /nfs/dbraw/zinc/20/66/42/211206642.db2.gz DTLZGYBKCCKNCI-IBGZPJMESA-N 1 1 356.514 2.284 50 0 FEAAMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CC3CC3)CC2)C1 ZINC000019218918 211206645 /nfs/dbraw/zinc/20/66/45/211206645.db2.gz DTLZGYBKCCKNCI-IBGZPJMESA-N 1 1 356.514 2.284 50 0 FEAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccnn2C)C1 ZINC000014958903 211105918 /nfs/dbraw/zinc/10/59/18/211105918.db2.gz QCASDJUOHUCWKK-KRWDZBQOSA-N 1 1 370.497 2.455 50 0 FEAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccco1)CC2)C1CCCCC1 ZINC000014879306 211104937 /nfs/dbraw/zinc/10/49/37/211104937.db2.gz MGGLNBUNFQNQIO-UHFFFAOYSA-N 1 1 371.485 2.168 50 0 FEAAMO CC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1ccc(C)cc1 ZINC000077301424 542363388 /nfs/dbraw/zinc/36/33/88/542363388.db2.gz DKNJXFYUSUOYGQ-VQTJNVASSA-N 1 1 368.481 2.411 50 0 FEAAMO O=C(N[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@H]1O)c1ccncc1 ZINC000077301901 542364005 /nfs/dbraw/zinc/36/40/05/542364005.db2.gz NZLFDLZOZKXKCH-QZTJIDSGSA-N 1 1 351.406 2.193 50 0 FEAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000077354629 542371376 /nfs/dbraw/zinc/37/13/76/542371376.db2.gz XQOKJMXTXKAWBF-MRXNPFEDSA-N 1 1 354.454 2.401 50 0 FEAAMO O=C1C[C@@H]([NH2+]Cc2cccnc2)C(=O)N1c1ccc(Br)cc1 ZINC000000821656 210275988 /nfs/dbraw/zinc/27/59/88/210275988.db2.gz XFYUSUBCENUYCR-CQSZACIVSA-N 1 1 360.211 2.266 50 0 FEAAMO CC[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077564480 542397821 /nfs/dbraw/zinc/39/78/21/542397821.db2.gz BFVBRKIEYOVSTM-ZDUSSCGKSA-N 1 1 371.437 2.264 50 0 FEAAMO O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000058172323 221102517 /nfs/dbraw/zinc/10/25/17/221102517.db2.gz WFMXPEZWGRPBSY-SFHVURJKSA-N 1 1 371.481 2.050 50 0 FEAAMO C/C(=C/C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000058357717 221115739 /nfs/dbraw/zinc/11/57/39/221115739.db2.gz TYTQUXXKAVCLLE-BENRWUELSA-N 1 1 369.387 2.175 50 0 FEAAMO C[N@H+]1C[C@H](NC(=O)c2cccc(NCc3ccc(F)cc3)c2)C[C@H]1CO ZINC000065397380 221210741 /nfs/dbraw/zinc/21/07/41/221210741.db2.gz BFCSFENLELDISV-MOPGFXCFSA-N 1 1 357.429 2.233 50 0 FEAAMO CCc1ccc(C[NH+]2CCN(c3nc4ccccc4n3CCO)CC2)nc1 ZINC000065410948 221215679 /nfs/dbraw/zinc/21/56/79/221215679.db2.gz LBRMLKKRNXSARX-UHFFFAOYSA-N 1 1 365.481 2.308 50 0 FEAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000065462983 221223078 /nfs/dbraw/zinc/22/30/78/221223078.db2.gz LBIIFBJKLKPHEA-KRWDZBQOSA-N 1 1 365.441 2.252 50 0 FEAAMO COc1ccc2cc(C[N@H+]3CCCN(C(=O)C4CCC4)CC3)c(=O)[nH]c2c1 ZINC000067713241 221275491 /nfs/dbraw/zinc/27/54/91/221275491.db2.gz NYBYBPSPXXVTQD-UHFFFAOYSA-N 1 1 369.465 2.371 50 0 FEAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)CCc3ccccc3)no2)CC1 ZINC000067695256 221273043 /nfs/dbraw/zinc/27/30/43/221273043.db2.gz GPSXQMBPZXOVDT-UHFFFAOYSA-N 1 1 356.470 2.127 50 0 FEAAMO CCN(Cc1noc(C)n1)C(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067820930 221290311 /nfs/dbraw/zinc/29/03/11/221290311.db2.gz SLVRKSQCECZXIN-UHFFFAOYSA-N 1 1 357.418 2.132 50 0 FEAAMO CCN(CC)C(=O)N1CCC2(CC1)CN(Cc1cccc(C)n1)CC[N@H+]2C ZINC000067769727 221283592 /nfs/dbraw/zinc/28/35/92/221283592.db2.gz PLRFMVABAOXVSO-UHFFFAOYSA-N 1 1 373.545 2.434 50 0 FEAAMO CCN(CC)C(=O)N1CCC2(CC1)C[N@H+](Cc1cccc(C)n1)CCN2C ZINC000067769727 221283595 /nfs/dbraw/zinc/28/35/95/221283595.db2.gz PLRFMVABAOXVSO-UHFFFAOYSA-N 1 1 373.545 2.434 50 0 FEAAMO CCN(CC)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cccc(C)n1)CCN2C ZINC000067769727 221283597 /nfs/dbraw/zinc/28/35/97/221283597.db2.gz PLRFMVABAOXVSO-UHFFFAOYSA-N 1 1 373.545 2.434 50 0 FEAAMO Cc1cnccc1C[N@H+](C)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067789206 221285922 /nfs/dbraw/zinc/28/59/22/221285922.db2.gz FJMRTCSKLUCTSE-QFIPXVFZSA-N 1 1 367.493 2.418 50 0 FEAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681766 221353514 /nfs/dbraw/zinc/35/35/14/221353514.db2.gz OGBWEOUBCYTDMN-GOSISDBHSA-N 1 1 356.514 2.380 50 0 FEAAMO Cc1nc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)co1 ZINC000071682100 221353997 /nfs/dbraw/zinc/35/39/97/221353997.db2.gz PXLWXKMQVAHYDG-UHFFFAOYSA-N 1 1 353.426 2.296 50 0 FEAAMO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCC=C(C)C)CC2)C1 ZINC000071714752 221354745 /nfs/dbraw/zinc/35/47/45/221354745.db2.gz LDKHMQNPRUJHST-GOSISDBHSA-N 1 1 351.535 2.282 50 0 FEAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(CCC=C(C)C)CC2)C1 ZINC000071714752 221354749 /nfs/dbraw/zinc/35/47/49/221354749.db2.gz LDKHMQNPRUJHST-GOSISDBHSA-N 1 1 351.535 2.282 50 0 FEAAMO C[N@H+]1CC[C@@H](NS(=O)(=O)NCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000071715175 221355207 /nfs/dbraw/zinc/35/52/07/221355207.db2.gz FWIPLWUXFSDROR-VQTJNVASSA-N 1 1 373.522 2.174 50 0 FEAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(c2cc(C)ncn2)CC1 ZINC000091664067 132203108 /nfs/dbraw/zinc/20/31/08/132203108.db2.gz GFXBFZUNFPFBCY-UHFFFAOYSA-N 1 1 366.473 2.334 50 0 FEAAMO CC(=O)N1CCN(c2cc(N)[nH+]c(SCc3ccccc3C)n2)CC1 ZINC000095376401 132209154 /nfs/dbraw/zinc/20/91/54/132209154.db2.gz JKOADAJKGJQIIQ-UHFFFAOYSA-N 1 1 357.483 2.328 50 0 FEAAMO CC(=O)N1CCN(c2cc(N)nc(SCc3ccccc3C)[nH+]2)CC1 ZINC000095376401 132209155 /nfs/dbraw/zinc/20/91/55/132209155.db2.gz JKOADAJKGJQIIQ-UHFFFAOYSA-N 1 1 357.483 2.328 50 0 FEAAMO C[NH+](C)[C@@H](C(=O)NC1CCN(c2cnccn2)CC1)c1cccc(F)c1 ZINC000299785946 132299992 /nfs/dbraw/zinc/29/99/92/132299992.db2.gz LCXZOUDVOGFIQS-GOSISDBHSA-N 1 1 357.433 2.004 50 0 FEAAMO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089573860 542764618 /nfs/dbraw/zinc/76/46/18/542764618.db2.gz UKBVRZMVHKMLKK-AZCLRUCKSA-N 1 1 374.504 2.396 50 0 FEAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1[nH]nc(C)c1C)CC2 ZINC000091411950 542806156 /nfs/dbraw/zinc/80/61/56/542806156.db2.gz HJXHZRNVGPINIH-UHFFFAOYSA-N 1 1 370.501 2.078 50 0 FEAAMO COC(=O)[C@H](C)[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091416727 542806398 /nfs/dbraw/zinc/80/63/98/542806398.db2.gz KEFXDFQOPWEIFP-ZDUSSCGKSA-N 1 1 366.408 2.341 50 0 FEAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnn(C)c2)C3)cc1 ZINC000091425989 542807194 /nfs/dbraw/zinc/80/71/94/542807194.db2.gz YYAYZDOQUQBOOT-FUHWJXTLSA-N 1 1 354.454 2.165 50 0 FEAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(=O)c3cc(C)ccc3[nH]1)C2 ZINC000091320515 542804481 /nfs/dbraw/zinc/80/44/81/542804481.db2.gz JDBIVXKXBMFJFN-FUHWJXTLSA-N 1 1 355.482 2.379 50 0 FEAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)c3cc(C)ccc3[nH]1)C2 ZINC000091320515 542804484 /nfs/dbraw/zinc/80/44/84/542804484.db2.gz JDBIVXKXBMFJFN-FUHWJXTLSA-N 1 1 355.482 2.379 50 0 FEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)c3cc(C)ccc3[nH]1)C2 ZINC000091320515 542804489 /nfs/dbraw/zinc/80/44/89/542804489.db2.gz JDBIVXKXBMFJFN-FUHWJXTLSA-N 1 1 355.482 2.379 50 0 FEAAMO CCn1c2ccccc2nc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091468571 542809447 /nfs/dbraw/zinc/80/94/47/542809447.db2.gz QWPGCAPQGHOHKC-NRFANRHFSA-N 1 1 369.513 2.185 50 0 FEAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CC2CC2)CC1 ZINC000091563367 542813497 /nfs/dbraw/zinc/81/34/97/542813497.db2.gz PGCAOVVDYLVTEG-UHFFFAOYSA-N 1 1 356.474 2.357 50 0 FEAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccccn1)CC2 ZINC000091644586 542817955 /nfs/dbraw/zinc/81/79/55/542817955.db2.gz IEJJPSDRZVHMKB-UHFFFAOYSA-N 1 1 365.481 2.481 50 0 FEAAMO CCc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)[nH]1 ZINC000091829217 542827395 /nfs/dbraw/zinc/82/73/95/542827395.db2.gz AGLDJMIGDPQFPY-KRWDZBQOSA-N 1 1 372.513 2.126 50 0 FEAAMO Cc1ccc(-c2ncc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)c(=O)[nH]2)cc1 ZINC000091807369 542826900 /nfs/dbraw/zinc/82/69/00/542826900.db2.gz RDOQAISUPBPECS-HNNXBMFYSA-N 1 1 366.465 2.444 50 0 FEAAMO Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3S(C)(=O)=O)cc1 ZINC000091859870 542829032 /nfs/dbraw/zinc/82/90/32/542829032.db2.gz ONUWFWOUZABDRC-UHFFFAOYSA-N 1 1 374.510 2.027 50 0 FEAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCC(N)=O)CC2)C1 ZINC000091860201 542829233 /nfs/dbraw/zinc/82/92/33/542829233.db2.gz JBCCETXTFOEYHA-SFHVURJKSA-N 1 1 357.498 2.370 50 0 FEAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cccn1)CC2 ZINC000091896790 542831156 /nfs/dbraw/zinc/83/11/56/542831156.db2.gz APVLBQMXFUQXOZ-UHFFFAOYSA-N 1 1 370.501 2.028 50 0 FEAAMO COc1cccc(-c2cccc(C[N@H+]3CCN(C(C)=O)C[C@H](O)C3)c2)c1 ZINC000092062197 542842267 /nfs/dbraw/zinc/84/22/67/542842267.db2.gz QWUYNAKUJOGGSE-HXUWFJFHSA-N 1 1 354.450 2.387 50 0 FEAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)C[N@@H+]1Cc1cc(C)ccc1C ZINC000092002729 542835709 /nfs/dbraw/zinc/83/57/09/542835709.db2.gz SRQPVEHMVCPGJY-HKUYNNGSSA-N 1 1 368.481 2.141 50 0 FEAAMO 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CCCC[N@@H+](C)CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000002943571 539356911 /nfs/dbraw/zinc/35/69/11/539356911.db2.gz DHHNPGYOIVBIJW-UHFFFAOYSA-N 1 1 356.470 2.149 50 0 FEAAMO CN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000003305623 539362829 /nfs/dbraw/zinc/36/28/29/539362829.db2.gz HSCLWTMHLZQAQR-OAHLLOKOSA-N 1 1 357.292 2.215 50 0 FEAAMO CN(C[C@@H](O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003305623 539362833 /nfs/dbraw/zinc/36/28/33/539362833.db2.gz HSCLWTMHLZQAQR-OAHLLOKOSA-N 1 1 357.292 2.215 50 0 FEAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NN1CC[NH+](C)CC1 ZINC000003216244 539361179 /nfs/dbraw/zinc/36/11/79/539361179.db2.gz DUNVVUUFAIFJDB-UHFFFAOYSA-N 1 1 352.797 2.335 50 0 FEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)C1 ZINC000004688155 539390092 /nfs/dbraw/zinc/39/00/92/539390092.db2.gz JWWRFKDITYTWQT-KRWDZBQOSA-N 1 1 370.497 2.251 50 0 FEAAMO COC(=O)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000005274704 539407276 /nfs/dbraw/zinc/40/72/76/539407276.db2.gz 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CNC(=O)NC(=O)[C@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000025664962 539765867 /nfs/dbraw/zinc/76/58/67/539765867.db2.gz RQJHGDPCEYVJRH-FZKQIMNGSA-N 1 1 369.421 2.305 50 0 FEAAMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCO[C@@H](C)C3)CC2)c(C)c1 ZINC000026644363 539790398 /nfs/dbraw/zinc/79/03/98/539790398.db2.gz MNXBDALQECMHKV-KRWDZBQOSA-N 1 1 358.482 2.445 50 0 FEAAMO C[NH+]1CCN(CC(=O)NCC[C@H](c2ccco2)c2ccc(F)cc2)CC1 ZINC000031814043 539920457 /nfs/dbraw/zinc/92/04/57/539920457.db2.gz SCSNHPYROYSSQH-SFHVURJKSA-N 1 1 359.445 2.304 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)c1 ZINC000032522435 539942772 /nfs/dbraw/zinc/94/27/72/539942772.db2.gz NCOMDZCENJGCFV-UHFFFAOYSA-N 1 1 369.465 2.442 50 0 FEAAMO O=C([C@H]1COCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032641368 539946357 /nfs/dbraw/zinc/94/63/57/539946357.db2.gz HLDMNJJXKXXCSJ-HXUWFJFHSA-N 1 1 366.461 2.336 50 0 FEAAMO CC(C)(CNc1ncnc2c1cnn2-c1ccccc1)[NH+]1CCOCC1 ZINC000032871803 539957136 /nfs/dbraw/zinc/95/71/36/539957136.db2.gz UAUUIJFEVLVQDH-UHFFFAOYSA-N 1 1 352.442 2.338 50 0 FEAAMO C[N@@H+]1CC=C(c2noc(CCC(=O)N3CCc4ccccc4C3)n2)CC1 ZINC000033069168 539966260 /nfs/dbraw/zinc/96/62/60/539966260.db2.gz RVHVUKZCVTWWSD-UHFFFAOYSA-N 1 1 352.438 2.306 50 0 FEAAMO C[NH2+][C@H](c1nnnn1-c1ccccc1C(=O)OC)c1ccc(Cl)cc1 ZINC000035170753 539979151 /nfs/dbraw/zinc/97/91/51/539979151.db2.gz XQZYZVAVFBFSAG-HNNXBMFYSA-N 1 1 357.801 2.411 50 0 FEAAMO Cc1ccnc(N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000035454449 539982626 /nfs/dbraw/zinc/98/26/26/539982626.db2.gz YIYMPVDBTJSFSO-MRXNPFEDSA-N 1 1 359.518 2.240 50 0 FEAAMO COc1cccc(-c2csc3[nH]c(CN4CC[NH+](C)CC4)nc(=O)c23)c1 ZINC000036204039 539987928 /nfs/dbraw/zinc/98/79/28/539987928.db2.gz SMWWWKMCYQMUPA-UHFFFAOYSA-N 1 1 370.478 2.408 50 0 FEAAMO C[N@H+]1CCN(CCCNS(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000036390308 539990603 /nfs/dbraw/zinc/99/06/03/539990603.db2.gz ZHTWITVXWDJZMD-FQEVSTJZSA-N 1 1 373.522 2.344 50 0 FEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN(c2nccs2)CC1 ZINC000040068004 540004963 /nfs/dbraw/zinc/00/49/63/540004963.db2.gz PYQGHLMIIMHYTG-UHFFFAOYSA-N 1 1 371.510 2.033 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1)c1ccco1 ZINC000040287848 540009456 /nfs/dbraw/zinc/00/94/56/540009456.db2.gz ROUFOXRSWAYJOC-LLVKDONJSA-N 1 1 370.331 2.051 50 0 FEAAMO CCN1CC[NH+](CCCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000046788390 540270865 /nfs/dbraw/zinc/27/08/65/540270865.db2.gz LYVREIBQLGWPGO-UHFFFAOYSA-N 1 1 372.282 2.346 50 0 FEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)COCCOc2ccccc2)C[C@H](C)O1 ZINC000049624093 540390798 /nfs/dbraw/zinc/39/07/98/540390798.db2.gz GCHRXUOBZDKYJC-IRXDYDNUSA-N 1 1 364.486 2.086 50 0 FEAAMO CCOC1CCN(C(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000050143776 540400996 /nfs/dbraw/zinc/40/09/96/540400996.db2.gz ZWUVCDQLNBBUTM-UHFFFAOYSA-N 1 1 374.529 2.328 50 0 FEAAMO C[C@@H](CNC(=O)NCCNC(=O)c1ccccc1F)[N@H+]1CCCC[C@@H]1C ZINC000050111712 540400365 /nfs/dbraw/zinc/40/03/65/540400365.db2.gz 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Cc1ccc(NC(=O)CC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000055053058 540624743 /nfs/dbraw/zinc/62/47/43/540624743.db2.gz AKMFFTUIXLURKC-UHFFFAOYSA-N 1 1 366.465 2.453 50 0 FEAAMO CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000055393010 540650610 /nfs/dbraw/zinc/65/06/10/540650610.db2.gz GBBVPNJZYDKKAG-LBPRGKRZSA-N 1 1 353.850 2.139 50 0 FEAAMO COc1ccc2c(c1)c(C(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1)c(C)n2C ZINC000057050871 540765197 /nfs/dbraw/zinc/76/51/97/540765197.db2.gz QBJFQRTZGIFJQE-ZDUSSCGKSA-N 1 1 357.454 2.264 50 0 FEAAMO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000057265888 540783617 /nfs/dbraw/zinc/78/36/17/540783617.db2.gz ILBBWHHQVNHWFE-MRXNPFEDSA-N 1 1 361.467 2.388 50 0 FEAAMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000057265888 540783621 /nfs/dbraw/zinc/78/36/21/540783621.db2.gz ILBBWHHQVNHWFE-MRXNPFEDSA-N 1 1 361.467 2.388 50 0 FEAAMO O=c1[nH]cc(C[N@H+]2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)c(=O)[nH]1 ZINC000067541615 541477795 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50 0 FEAAMO Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000072479234 541821530 /nfs/dbraw/zinc/82/15/30/541821530.db2.gz GILHGFLIVZUYIR-AWEZNQCLSA-N 1 1 364.515 2.036 50 0 FEAAMO COCCC[N@H+](Cc1cnc(-c2ccccn2)nc1)C1CCN(C)CC1 ZINC000072476209 541819376 /nfs/dbraw/zinc/81/93/76/541819376.db2.gz IPXOOXYPXVDPDI-UHFFFAOYSA-N 1 1 355.486 2.471 50 0 FEAAMO COCCC[N@@H+](Cc1cnc(-c2ccccn2)nc1)C1CCN(C)CC1 ZINC000072476209 541819381 /nfs/dbraw/zinc/81/93/81/541819381.db2.gz IPXOOXYPXVDPDI-UHFFFAOYSA-N 1 1 355.486 2.471 50 0 FEAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000072477934 541820274 /nfs/dbraw/zinc/82/02/74/541820274.db2.gz ISWMKCFHHWRQFL-HXUWFJFHSA-N 1 1 374.525 2.461 50 0 FEAAMO CCS(=O)(=O)c1ccccc1C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000058955131 212015151 /nfs/dbraw/zinc/01/51/51/212015151.db2.gz DZYROQIXKVBPSE-HNNXBMFYSA-N 1 1 352.500 2.332 50 0 FEAAMO CC[NH+](CC)[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccco1 ZINC000058245364 212000283 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O=C(N[C@@H]1COc2ccccc2C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170802464 327099862 /nfs/dbraw/zinc/09/98/62/327099862.db2.gz IFDKYMXBIDJGFQ-GHTZIAJQSA-N 1 1 366.461 2.304 50 0 FEAAMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1NS(C)(=O)=O ZINC000082160333 519804368 /nfs/dbraw/zinc/80/43/68/519804368.db2.gz HOIQXASCJNQJRN-DLBZAZTESA-N 1 1 358.479 2.100 50 0 FEAAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2nccnc2OC)CC1 ZINC000082121119 523188521 /nfs/dbraw/zinc/18/85/21/523188521.db2.gz GNJGOOMUICAOOP-UHFFFAOYSA-N 1 1 371.489 2.076 50 0 FEAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082120149 524028829 /nfs/dbraw/zinc/02/88/29/524028829.db2.gz DFRRFBBKDJPPHH-HXUWFJFHSA-N 1 1 364.461 2.421 50 0 FEAAMO COc1ccc(CN2CC[NH+](Cc3cccn3C)CC2)c(OC)c1OC ZINC000019789317 524033303 /nfs/dbraw/zinc/03/33/03/524033303.db2.gz QJYOZUOWRVTXPC-UHFFFAOYSA-N 1 1 359.470 2.369 50 0 FEAAMO C[C@@H](CN1CC2(CC[NH+](CC(=O)NC3CC3)CC2)OC1=O)c1ccccc1 ZINC000077537524 524588349 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FEAAMO OCC[C@H]1C[N@H+](Cc2cccc3nonc32)CCN1Cc1ccsc1 ZINC000020538599 527572562 /nfs/dbraw/zinc/57/25/62/527572562.db2.gz OKLGJJLBSRSBPP-INIZCTEOSA-N 1 1 358.467 2.353 50 0 FEAAMO OCC[C@H]1C[N@@H+](Cc2cccc3nonc32)CCN1Cc1ccsc1 ZINC000020538599 527572570 /nfs/dbraw/zinc/57/25/70/527572570.db2.gz OKLGJJLBSRSBPP-INIZCTEOSA-N 1 1 358.467 2.353 50 0 FEAAMO OCC[C@H]1CN(Cc2cccc3nonc32)CC[N@@H+]1Cc1ccsc1 ZINC000020538599 527572576 /nfs/dbraw/zinc/57/25/76/527572576.db2.gz OKLGJJLBSRSBPP-INIZCTEOSA-N 1 1 358.467 2.353 50 0 FEAAMO OCC[C@H]1CN(Cc2cccc3nonc32)CC[N@H+]1Cc1ccsc1 ZINC000020538599 527572581 /nfs/dbraw/zinc/57/25/81/527572581.db2.gz OKLGJJLBSRSBPP-INIZCTEOSA-N 1 1 358.467 2.353 50 0 FEAAMO CCOc1ccccc1NC(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000075162043 535532677 /nfs/dbraw/zinc/53/26/77/535532677.db2.gz FSMWIMICPLTNFO-UHFFFAOYSA-N 1 1 356.430 2.271 50 0 FEAAMO CN1CCC([N@@H+]2CCN(c3cccc(C(F)(F)F)n3)C[C@@H]2CCO)CC1 ZINC000072463819 536339530 /nfs/dbraw/zinc/33/95/30/536339530.db2.gz 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CC(C)c1cnc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000182983797 547583490 /nfs/dbraw/zinc/58/34/90/547583490.db2.gz JJOALAPYUOMHPV-UHFFFAOYSA-N 1 1 350.532 2.397 50 0 FEAAMO CC(C)c1cnc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000182983797 547583494 /nfs/dbraw/zinc/58/34/94/547583494.db2.gz JJOALAPYUOMHPV-UHFFFAOYSA-N 1 1 350.532 2.397 50 0 FEAAMO Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000194442152 548482990 /nfs/dbraw/zinc/48/29/90/548482990.db2.gz IMZADKMODBUKTB-RTBURBONSA-N 1 1 367.497 2.441 50 0 FEAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216346757 548677447 /nfs/dbraw/zinc/67/74/47/548677447.db2.gz CMYBYNOZBHPXRW-VQTJNVASSA-N 1 1 359.514 2.066 50 0 FEAAMO CC(=O)c1c(C)nn(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000219730106 548696559 /nfs/dbraw/zinc/69/65/59/548696559.db2.gz IFBQMKHTDBITEK-LJQANCHMSA-N 1 1 368.481 2.341 50 0 FEAAMO C[N@@H+](Cc1cnc(NC[C@@H]2CCCO2)nc1)Cc1ccc2c(c1)OCO2 ZINC000220474451 548700844 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C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000225729276 548741438 /nfs/dbraw/zinc/74/14/38/548741438.db2.gz XLAXANMYUMRDGA-SNRMKQJTSA-N 1 1 364.461 2.351 50 0 FEAAMO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000236794337 548780281 /nfs/dbraw/zinc/78/02/81/548780281.db2.gz XJLKVQSVDYTNAB-DOTOQJQBSA-N 1 1 356.470 2.312 50 0 FEAAMO Ic1cnc(CN2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000239807533 548884173 /nfs/dbraw/zinc/88/41/73/548884173.db2.gz CSTCQEFDAYUUCP-SNVBAGLBSA-N 1 1 363.268 2.418 50 0 FEAAMO CNc1cc([C@H]2C[C@H](Nc3nc(N)[nH+]c(C)c3Cl)C2)nc(COC)n1 ZINC000244708144 548892366 /nfs/dbraw/zinc/89/23/66/548892366.db2.gz KOLBPMPFEAMDSH-MGCOHNPYSA-N 1 1 363.853 2.357 50 0 FEAAMO Cc1nonc1N1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000244758153 548894828 /nfs/dbraw/zinc/89/48/28/548894828.db2.gz OTEQEIFBIDWCQG-GOSISDBHSA-N 1 1 369.469 2.081 50 0 FEAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000244795804 548896376 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CNC(=O)[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1CO ZINC000253415087 549687687 /nfs/dbraw/zinc/68/76/87/549687687.db2.gz ZOHCBZDPQQTMSJ-CMPLNLGQSA-N 1 1 350.768 2.145 50 0 FEAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1CO ZINC000253415087 549687690 /nfs/dbraw/zinc/68/76/90/549687690.db2.gz ZOHCBZDPQQTMSJ-CMPLNLGQSA-N 1 1 350.768 2.145 50 0 FEAAMO CC(C)C[N@@H+]1CCc2nnc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2CC1 ZINC000257179880 549712681 /nfs/dbraw/zinc/71/26/81/549712681.db2.gz CZRTZZHVLCNSKC-GOSISDBHSA-N 1 1 367.497 2.422 50 0 FEAAMO NC(=O)c1cncc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000301726948 553674538 /nfs/dbraw/zinc/67/45/38/553674538.db2.gz VNQMISFMNIGETH-AEFFLSMTSA-N 1 1 351.454 2.066 50 0 FEAAMO Cc1cccn2cc(CNC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)nc12 ZINC000332013915 554363289 /nfs/dbraw/zinc/36/32/89/554363289.db2.gz XZSIPGGUWKMPMJ-BQFCYCMXSA-N 1 1 358.486 2.393 50 0 FEAAMO O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000426513516 559736544 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CCn1ncc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)c1C ZINC000036385814 539990638 /nfs/dbraw/zinc/99/06/38/539990638.db2.gz HNQZIUYVLLDPNR-HXUWFJFHSA-N 1 1 372.513 2.289 50 0 FEAAMO CCn1ncc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)c1C ZINC000036385814 539990643 /nfs/dbraw/zinc/99/06/43/539990643.db2.gz HNQZIUYVLLDPNR-HXUWFJFHSA-N 1 1 372.513 2.289 50 0 FEAAMO O=C(CCc1ncc(-c2ccccc2F)o1)NCCC[NH+]1CCOCC1 ZINC000036686174 539992977 /nfs/dbraw/zinc/99/29/77/539992977.db2.gz LOJBLIWNRYKREB-UHFFFAOYSA-N 1 1 361.417 2.252 50 0 FEAAMO C[NH+](C)[C@H](CNC(=O)c1nc(N2CCCC2)ncc1Cl)c1ccco1 ZINC000042764032 540077868 /nfs/dbraw/zinc/07/78/68/540077868.db2.gz UJPFLWUUIQRKOC-CYBMUJFWSA-N 1 1 363.849 2.356 50 0 FEAAMO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000052782015 540489122 /nfs/dbraw/zinc/48/91/22/540489122.db2.gz XROZCPBDABCJPS-AWEZNQCLSA-N 1 1 368.480 2.116 50 0 FEAAMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994496 540620525 /nfs/dbraw/zinc/62/05/25/540620525.db2.gz ZBOLKUFPYZTSLS-AWEZNQCLSA-N 1 1 352.862 2.419 50 0 FEAAMO Cn1cnnc1CC1CC[NH+](Cc2ccc(Sc3nc[nH]n3)o2)CC1 ZINC000055099585 540628622 /nfs/dbraw/zinc/62/86/22/540628622.db2.gz DFUWNMSOIPOOEO-UHFFFAOYSA-N 1 1 359.459 2.132 50 0 FEAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1ccccc1OCCCCn1ccnc1 ZINC000055153934 540631626 /nfs/dbraw/zinc/63/16/26/540631626.db2.gz ZQORTKRCPLDSIQ-KRWDZBQOSA-N 1 1 356.470 2.453 50 0 FEAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)COc2cccc(F)c2)c1 ZINC000057260476 540782956 /nfs/dbraw/zinc/78/29/56/540782956.db2.gz YWXFMQBPUVEFNK-GOSISDBHSA-N 1 1 371.412 2.293 50 0 FEAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)COc2cccc(F)c2)c1 ZINC000057260476 540782959 /nfs/dbraw/zinc/78/29/59/540782959.db2.gz YWXFMQBPUVEFNK-GOSISDBHSA-N 1 1 371.412 2.293 50 0 FEAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCNC(C)=O)c1ccccc1 ZINC000057273979 540784807 /nfs/dbraw/zinc/78/48/07/540784807.db2.gz XIOOFVLJGVWDMB-LJQANCHMSA-N 1 1 355.438 2.409 50 0 FEAAMO Cc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000058185600 540832075 /nfs/dbraw/zinc/83/20/75/540832075.db2.gz YRHVCLHFBMNWJX-SFHVURJKSA-N 1 1 360.479 2.431 50 0 FEAAMO CC(=O)N1CCC(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000058179643 540832084 /nfs/dbraw/zinc/83/20/84/540832084.db2.gz DNTHIIBVDZVRLU-HXUWFJFHSA-N 1 1 355.482 2.265 50 0 FEAAMO Cc1csc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071755405 541771542 /nfs/dbraw/zinc/77/15/42/541771542.db2.gz WTHCYRAHRQKVNZ-OAHLLOKOSA-N 1 1 362.543 2.407 50 0 FEAAMO Cc1ccccc1[C@@H](C(=O)N1CCc2c(nc(C)nc2N(C)C)C1)[NH+](C)C ZINC000072142184 541787045 /nfs/dbraw/zinc/78/70/45/541787045.db2.gz HSCILOFQMCDFFB-IBGZPJMESA-N 1 1 367.497 2.347 50 0 FEAAMO C[NH+](C)Cc1cc2n(n1)CCN(Cc1cnc(-c3cccs3)nc1)C2 ZINC000072146092 541787788 /nfs/dbraw/zinc/78/77/88/541787788.db2.gz BNQCOXKRQYZFJN-UHFFFAOYSA-N 1 1 354.483 2.479 50 0 FEAAMO CC1CCN(S(=O)(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000072145651 541788473 /nfs/dbraw/zinc/78/84/73/541788473.db2.gz RSZSUNWNOKTPMO-IBGZPJMESA-N 1 1 365.543 2.260 50 0 FEAAMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)s1 ZINC000072146895 541788211 /nfs/dbraw/zinc/78/82/11/541788211.db2.gz GJRVHDPIHUPTNE-LJQANCHMSA-N 1 1 355.463 2.032 50 0 FEAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1 ZINC000072148662 541788914 /nfs/dbraw/zinc/78/89/14/541788914.db2.gz ZXZPGGFLOMQFFV-MRXNPFEDSA-N 1 1 364.449 2.310 50 0 FEAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072162568 541792623 /nfs/dbraw/zinc/79/26/23/541792623.db2.gz MIBZGGGFTOGFKT-HNNXBMFYSA-N 1 1 366.531 2.071 50 0 FEAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1csc(C(C)C)n1 ZINC000072162568 541792627 /nfs/dbraw/zinc/79/26/27/541792627.db2.gz MIBZGGGFTOGFKT-HNNXBMFYSA-N 1 1 366.531 2.071 50 0 FEAAMO CCN(CC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072168656 541794720 /nfs/dbraw/zinc/79/47/20/541794720.db2.gz PSKJYBPNKJHMLE-LJQANCHMSA-N 1 1 353.466 2.399 50 0 FEAAMO CCN(CC)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072168656 541794723 /nfs/dbraw/zinc/79/47/23/541794723.db2.gz PSKJYBPNKJHMLE-LJQANCHMSA-N 1 1 353.466 2.399 50 0 FEAAMO C[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000072168247 541795137 /nfs/dbraw/zinc/79/51/37/541795137.db2.gz HRWOSTWVTGSRSC-IBGZPJMESA-N 1 1 368.481 2.302 50 0 FEAAMO O=C(CCCc1cn[nH]c1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072410024 541806911 /nfs/dbraw/zinc/80/69/11/541806911.db2.gz JBQYTJWGDRSOOV-UHFFFAOYSA-N 1 1 352.482 2.434 50 0 FEAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)C[C@H](C)O1 ZINC000072418954 541808245 /nfs/dbraw/zinc/80/82/45/541808245.db2.gz QQFAFVGWXVPOSQ-PHIMTYICSA-N 1 1 360.380 2.142 50 0 FEAAMO COc1cccc(C[N@H+]2CCc3ncnc(N[C@H]4CCOC4)c3CC2)c1 ZINC000072469288 541817946 /nfs/dbraw/zinc/81/79/46/541817946.db2.gz DQPOJHZAJHBWIZ-INIZCTEOSA-N 1 1 354.454 2.287 50 0 FEAAMO CCN1C[C@]2(CCC[N@@H+](CC(=O)NCc3ccccc3C)C2)CCC1=O ZINC000072453705 541815936 /nfs/dbraw/zinc/81/59/36/541815936.db2.gz ZHVUPVRJMXKMTE-OAQYLSRUSA-N 1 1 357.498 2.336 50 0 FEAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)C1 ZINC000072476648 541819621 /nfs/dbraw/zinc/81/96/21/541819621.db2.gz ZHSPIFIOIUHBEY-GOSISDBHSA-N 1 1 358.482 2.104 50 0 FEAAMO CC[C@H](C)C(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403621 542177379 /nfs/dbraw/zinc/17/73/79/542177379.db2.gz HYBXVKQYHCJYKO-PKOBYXMFSA-N 1 1 357.498 2.368 50 0 FEAAMO CC[C@H](C)C(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000075403621 542177381 /nfs/dbraw/zinc/17/73/81/542177381.db2.gz HYBXVKQYHCJYKO-PKOBYXMFSA-N 1 1 357.498 2.368 50 0 FEAAMO CC(C)Cc1cc(=O)[nH]c(-c2cccc(C[N@@H+](C)C[C@H]3COCCO3)c2)n1 ZINC000023619448 211391559 /nfs/dbraw/zinc/39/15/59/211391559.db2.gz IIQGHDJIMKXRTD-IBGZPJMESA-N 1 1 371.481 2.483 50 0 FEAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000023263398 211381763 /nfs/dbraw/zinc/38/17/63/211381763.db2.gz CUGFOCYFTTVRBA-OAHLLOKOSA-N 1 1 361.515 2.243 50 0 FEAAMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3cccc4nonc43)CC2)c1 ZINC000022752244 211362549 /nfs/dbraw/zinc/36/25/49/211362549.db2.gz CFGJGXWVIBTVAG-UHFFFAOYSA-N 1 1 365.437 2.288 50 0 FEAAMO NC(=O)C1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000022240707 211344739 /nfs/dbraw/zinc/34/47/39/211344739.db2.gz MQTVEIXDPSWNDG-UHFFFAOYSA-N 1 1 354.332 2.453 50 0 FEAAMO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000022038579 211334376 /nfs/dbraw/zinc/33/43/76/211334376.db2.gz SVHIHORYHJCBMG-OALUTQOASA-N 1 1 368.905 2.014 50 0 FEAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3cccs3)sc2C1 ZINC000021296749 211311307 /nfs/dbraw/zinc/31/13/07/211311307.db2.gz SPPWDGAGSQHCKI-SNVBAGLBSA-N 1 1 364.496 2.340 50 0 FEAAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)NC(=O)c3cccs3)sc2C1 ZINC000021296749 211311310 /nfs/dbraw/zinc/31/13/10/211311310.db2.gz SPPWDGAGSQHCKI-SNVBAGLBSA-N 1 1 364.496 2.340 50 0 FEAAMO COc1ccc(-n2ccnc2CN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000020166823 211270142 /nfs/dbraw/zinc/27/01/42/211270142.db2.gz LPFLNRBEEPJAKH-GOSISDBHSA-N 1 1 356.470 2.178 50 0 FEAAMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000019868091 211259745 /nfs/dbraw/zinc/25/97/45/211259745.db2.gz AYPAXEYLSMXMBE-UHFFFAOYSA-N 1 1 373.522 2.240 50 0 FEAAMO CCOc1cc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)ccc1O ZINC000019300703 211214137 /nfs/dbraw/zinc/21/41/37/211214137.db2.gz OBHYLHURCIYXEY-INIZCTEOSA-N 1 1 358.442 2.292 50 0 FEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)ccc1O ZINC000019300703 211214141 /nfs/dbraw/zinc/21/41/41/211214141.db2.gz OBHYLHURCIYXEY-INIZCTEOSA-N 1 1 358.442 2.292 50 0 FEAAMO CSc1ncc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000019226438 211207493 /nfs/dbraw/zinc/20/74/93/211207493.db2.gz OKJFSCCXTZTODW-KRWDZBQOSA-N 1 1 350.532 2.400 50 0 FEAAMO O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000015074241 211119731 /nfs/dbraw/zinc/11/97/31/211119731.db2.gz VWDALBKXOQMTMJ-SFHVURJKSA-N 1 1 373.541 2.404 50 0 FEAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([NH+]1CCCCC1)C2 ZINC000014532401 211094806 /nfs/dbraw/zinc/09/48/06/211094806.db2.gz LEMGAEYHXKHYPB-QGZVFWFLSA-N 1 1 373.545 2.024 50 0 FEAAMO COc1cc(CNCCC[NH2+]CCO)ccc1OCc1ccccc1F ZINC000013732836 211054159 /nfs/dbraw/zinc/05/41/59/211054159.db2.gz NZFPIEZJSVGXDR-UHFFFAOYSA-N 1 1 362.445 2.475 50 0 FEAAMO CC(C)Cn1c2ccccc2nc1CN1CC[NH+](CCn2cncn2)CC1 ZINC000077440195 542382516 /nfs/dbraw/zinc/38/25/16/542382516.db2.gz NNZCRCGPOYSPTF-UHFFFAOYSA-N 1 1 367.501 2.102 50 0 FEAAMO CCc1ccc2nc(C)cc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000077522391 542392425 /nfs/dbraw/zinc/39/24/25/542392425.db2.gz PFEWKTGEPPJTNE-MRXNPFEDSA-N 1 1 368.481 2.033 50 0 FEAAMO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000077566392 542398581 /nfs/dbraw/zinc/39/85/81/542398581.db2.gz URRMXNGAZZOGSJ-HNNXBMFYSA-N 1 1 373.476 2.405 50 0 FEAAMO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000077566392 542398583 /nfs/dbraw/zinc/39/85/83/542398583.db2.gz URRMXNGAZZOGSJ-HNNXBMFYSA-N 1 1 373.476 2.405 50 0 FEAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000065321294 221200527 /nfs/dbraw/zinc/20/05/27/221200527.db2.gz DQNMEEMVOISDJC-UHFFFAOYSA-N 1 1 360.458 2.219 50 0 FEAAMO Cc1cncc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000065383576 221207301 /nfs/dbraw/zinc/20/73/01/221207301.db2.gz YUNUZLJIIVJMFG-QGZVFWFLSA-N 1 1 352.438 2.340 50 0 FEAAMO Cc1ccc(NC(=O)N2CC[NH+](C[C@H](O)[C@H]3CCCO3)CC2)cc1Cl ZINC000079076152 542498187 /nfs/dbraw/zinc/49/81/87/542498187.db2.gz WACBPIPXXLAMSM-DLBZAZTESA-N 1 1 367.877 2.338 50 0 FEAAMO CCN(CC)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067650135 221266395 /nfs/dbraw/zinc/26/63/95/221266395.db2.gz CSZKJDOGMMCYIR-UHFFFAOYSA-N 1 1 356.470 2.474 50 0 FEAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[C@H](CO)C2)nc1 ZINC000067674412 221268250 /nfs/dbraw/zinc/26/82/50/221268250.db2.gz CDLPBAMYVZZVLB-INIZCTEOSA-N 1 1 371.485 2.040 50 0 FEAAMO NC(=O)[C@H]1CCC[N@@H+](CCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)C1 ZINC000067676332 221269577 /nfs/dbraw/zinc/26/95/77/221269577.db2.gz LBCRSGMLMGGRIK-INIZCTEOSA-N 1 1 364.453 2.138 50 0 FEAAMO CCc1nnc(NC(=O)c2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000067852425 221295591 /nfs/dbraw/zinc/29/55/91/221295591.db2.gz XQGJRTLJOVEVGC-CQSZACIVSA-N 1 1 373.482 2.050 50 0 FEAAMO O=C(c1ccc(NCCCO)nc1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000067908365 221303730 /nfs/dbraw/zinc/30/37/30/221303730.db2.gz VWDSSIAATJUJML-UHFFFAOYSA-N 1 1 360.502 2.357 50 0 FEAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3[nH]nc4ccccc43)cn2)CC1 ZINC000070037574 221331285 /nfs/dbraw/zinc/33/12/85/221331285.db2.gz YMMKPYKNBFNCAX-UHFFFAOYSA-N 1 1 364.453 2.030 50 0 FEAAMO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc43)cn2)CC1 ZINC000070037574 221331288 /nfs/dbraw/zinc/33/12/88/221331288.db2.gz YMMKPYKNBFNCAX-UHFFFAOYSA-N 1 1 364.453 2.030 50 0 FEAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3n[nH]c4ccccc43)cn2)CC1 ZINC000070037574 221331292 /nfs/dbraw/zinc/33/12/92/221331292.db2.gz YMMKPYKNBFNCAX-UHFFFAOYSA-N 1 1 364.453 2.030 50 0 FEAAMO CCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746683 221358002 /nfs/dbraw/zinc/35/80/02/221358002.db2.gz MGGKEKKZBADZFC-SFHVURJKSA-N 1 1 372.513 2.201 50 0 FEAAMO O=C(c1nc2sccn2c1C[N@H+]1C[C@H]2CCC[C@@]2(CO)C1)N1CCCC1 ZINC000071748564 221361363 /nfs/dbraw/zinc/36/13/63/221361363.db2.gz GMWCYUQKIPNVOQ-KUHUBIRLSA-N 1 1 374.510 2.226 50 0 FEAAMO O=C(c1nc2sccn2c1C[N@@H+]1C[C@H]2CCC[C@@]2(CO)C1)N1CCCC1 ZINC000071748564 221361365 /nfs/dbraw/zinc/36/13/65/221361365.db2.gz GMWCYUQKIPNVOQ-KUHUBIRLSA-N 1 1 374.510 2.226 50 0 FEAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3C)CC2)C1 ZINC000071750434 221362093 /nfs/dbraw/zinc/36/20/93/221362093.db2.gz CRUQVLVJLKITCX-FQEVSTJZSA-N 1 1 373.541 2.434 50 0 FEAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cncn3C3CC3)CC2)C1 ZINC000071754661 221364783 /nfs/dbraw/zinc/36/47/83/221364783.db2.gz ICVJDYQGFVPXIL-MRXNPFEDSA-N 1 1 371.529 2.173 50 0 FEAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3ncccc3F)C2)n1C ZINC000091562804 132201974 /nfs/dbraw/zinc/20/19/74/132201974.db2.gz KYZVUSVUYBXVEL-CQSZACIVSA-N 1 1 355.421 2.286 50 0 FEAAMO CCN1CC[C@@]2(CN(c3cnc4ccccc4n3)CC[N@H+]2C)CCC1=O ZINC000091550399 132202115 /nfs/dbraw/zinc/20/21/15/132202115.db2.gz JMWDCRNKLXOOAH-HXUWFJFHSA-N 1 1 353.470 2.153 50 0 FEAAMO Cc1cccc(N2CC[NH+](CCC(=O)NCc3n[nH]c4c3CCC4)CC2)c1 ZINC000095358215 132207585 /nfs/dbraw/zinc/20/75/85/132207585.db2.gz BDFCCCRVCPVDLI-UHFFFAOYSA-N 1 1 367.497 2.035 50 0 FEAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000095427839 132211111 /nfs/dbraw/zinc/21/11/11/132211111.db2.gz SDYWERSFNQLEIP-QGZVFWFLSA-N 1 1 371.485 2.069 50 0 FEAAMO CCc1cc(N2CCC([NH2+]Cc3[nH]cnc3C)CC2)nc(N2CCCC2)n1 ZINC000095529967 132214961 /nfs/dbraw/zinc/21/49/61/132214961.db2.gz BHEHKBSNWDXNLE-UHFFFAOYSA-N 1 1 369.517 2.429 50 0 FEAAMO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)N(C)C)o1 ZINC000096160892 132221129 /nfs/dbraw/zinc/22/11/29/132221129.db2.gz WPYLTPIRCMNKMA-OAHLLOKOSA-N 1 1 369.473 2.116 50 0 FEAAMO Cc1csc([C@@H](C)N(C)C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)n1 ZINC000097698697 132230606 /nfs/dbraw/zinc/23/06/06/132230606.db2.gz UXILKZVPHGGKGT-CQSZACIVSA-N 1 1 374.514 2.135 50 0 FEAAMO COc1ccc(C[N@H+]2CCN(c3ncc(F)cn3)C[C@H]2CCO)c(C)c1C ZINC000107009492 132266516 /nfs/dbraw/zinc/26/65/16/132266516.db2.gz UYHDTFIAYCXDTR-GOSISDBHSA-N 1 1 374.460 2.314 50 0 FEAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(OC)cc1O)CC2 ZINC000091445283 542808014 /nfs/dbraw/zinc/80/80/14/542808014.db2.gz NPTUSUYMANOTBS-UHFFFAOYSA-N 1 1 370.453 2.133 50 0 FEAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ccccc2F)CC3)C1 ZINC000091585537 542813699 /nfs/dbraw/zinc/81/36/99/542813699.db2.gz KVMJADNBDWCPCL-INIZCTEOSA-N 1 1 373.472 2.375 50 0 FEAAMO COCc1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)n1 ZINC000091626023 542816747 /nfs/dbraw/zinc/81/67/47/542816747.db2.gz UDLXTURQXXJWLP-MAUKXSAKSA-N 1 1 368.481 2.280 50 0 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ZINC000153303916 544757962 /nfs/dbraw/zinc/75/79/62/544757962.db2.gz HRQVUPLWESYGAA-IAGOWNOFSA-N 1 1 368.485 2.466 50 0 FEAAMO Cc1cc(NC(=O)CCc2nc[nH]n2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190802962 328233382 /nfs/dbraw/zinc/23/33/82/328233382.db2.gz LFSLNEUSSINNFJ-UHFFFAOYSA-N 1 1 356.474 2.215 50 0 FEAAMO CCNc1cc[nH+]c(N2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)n1 ZINC000082108211 520348581 /nfs/dbraw/zinc/34/85/81/520348581.db2.gz NJISJPBDXDIVRQ-UHFFFAOYSA-N 1 1 370.505 2.280 50 0 FEAAMO CCOc1cccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000085859211 521382539 /nfs/dbraw/zinc/38/25/39/521382539.db2.gz MFDRTLXNXXGSSA-MRXNPFEDSA-N 1 1 368.389 2.236 50 0 FEAAMO CCCn1ccnc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091365242 521662878 /nfs/dbraw/zinc/66/28/78/521662878.db2.gz STSCYWXWVVIESN-NRFANRHFSA-N 1 1 373.545 2.202 50 0 FEAAMO COCCc1ncc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cn1 ZINC000020537933 522035786 /nfs/dbraw/zinc/03/57/86/522035786.db2.gz JTVBJNRAWWPEDB-HXUWFJFHSA-N 1 1 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/nfs/dbraw/zinc/67/17/10/527671710.db2.gz DKBXXMWJEXUDDI-UHFFFAOYSA-N 1 1 367.449 2.391 50 0 FEAAMO CCCc1cncnc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071760241 535444982 /nfs/dbraw/zinc/44/49/82/535444982.db2.gz VGRYNCLGXFLZHM-KRWDZBQOSA-N 1 1 371.529 2.389 50 0 FEAAMO COCCCN1C[C@]2(CCCN(c3[nH+]cnc4[nH]ccc43)C2)CCC1=O ZINC000072412176 536548897 /nfs/dbraw/zinc/54/88/97/536548897.db2.gz CUXYFCZVXVILEC-IBGZPJMESA-N 1 1 357.458 2.203 50 0 FEAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1nc2c(s1)COCC2 ZINC000175966984 546381905 /nfs/dbraw/zinc/38/19/05/546381905.db2.gz LLCQSOMDVTUABU-HNNXBMFYSA-N 1 1 373.478 2.445 50 0 FEAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1nc2c(s1)COCC2 ZINC000175966984 546381908 /nfs/dbraw/zinc/38/19/08/546381908.db2.gz LLCQSOMDVTUABU-HNNXBMFYSA-N 1 1 373.478 2.445 50 0 FEAAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn4cccnc4n3)C[C@H]12 ZINC000186036894 548075093 /nfs/dbraw/zinc/07/50/93/548075093.db2.gz TYWDASLHSNUNKK-VNQPRFMTSA-N 1 1 357.458 2.464 50 0 FEAAMO Fc1ccccc1-n1cc(C[N@H+]2CCCO[C@@H](Cn3cccn3)C2)cn1 ZINC000216101073 548675691 /nfs/dbraw/zinc/67/56/91/548675691.db2.gz WAKKLWKIKTWUQS-QGZVFWFLSA-N 1 1 355.417 2.499 50 0 FEAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000230514957 548760114 /nfs/dbraw/zinc/76/01/14/548760114.db2.gz JASHNACBCKSJBS-FQEVSTJZSA-N 1 1 365.477 2.338 50 0 FEAAMO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1=O ZINC000241644178 548884634 /nfs/dbraw/zinc/88/46/34/548884634.db2.gz POXWPBJHVHFYBP-LJQANCHMSA-N 1 1 372.513 2.305 50 0 FEAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244787661 548894922 /nfs/dbraw/zinc/89/49/22/548894922.db2.gz QBCIFZNGVULSQU-LLGFUMIMSA-N 1 1 369.465 2.399 50 0 FEAAMO Cc1ccc(C)c([C@H](C)NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000244873041 548896810 /nfs/dbraw/zinc/89/68/10/548896810.db2.gz WJBVTBJEQFVGBY-SFHVURJKSA-N 1 1 367.497 2.483 50 0 FEAAMO Cc1ccc(C)c([C@H](C)NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000244873041 548896813 /nfs/dbraw/zinc/89/68/13/548896813.db2.gz WJBVTBJEQFVGBY-SFHVURJKSA-N 1 1 367.497 2.483 50 0 FEAAMO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000281948803 551161207 /nfs/dbraw/zinc/16/12/07/551161207.db2.gz LXCXAAIXBGAXHW-SJLPKXTDSA-N 1 1 373.478 2.395 50 0 FEAAMO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000515293554 562003474 /nfs/dbraw/zinc/00/34/74/562003474.db2.gz RFIOTAQGPOKZGM-JTQLQIEISA-N 1 1 368.275 2.414 50 0 FEAAMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000370260802 556823579 /nfs/dbraw/zinc/82/35/79/556823579.db2.gz JMXIYFPXQBNSTD-IBGZPJMESA-N 1 1 366.465 2.372 50 0 FEAAMO OCCNc1nc(N2CCc3c(Cl)cccc3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426504616 559736027 /nfs/dbraw/zinc/73/60/27/559736027.db2.gz PUNDQXQJDJTFEV-CQSZACIVSA-N 1 1 374.872 2.601 50 0 FEAAMO COc1ccc(CCNC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)cc1 ZINC000426531853 559737100 /nfs/dbraw/zinc/73/71/00/559737100.db2.gz UQNCBZGBQSGQHK-UHFFFAOYSA-N 1 1 374.529 2.049 50 0 FEAAMO COc1ccc(CCNC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000426531853 559737101 /nfs/dbraw/zinc/73/71/01/559737101.db2.gz UQNCBZGBQSGQHK-UHFFFAOYSA-N 1 1 374.529 2.049 50 0 FEAAMO Cc1ccc2[nH]c([C@H](NC(=O)N3CC[NH+](CCCO)CC3)C(C)C)nc2c1 ZINC000426535965 559737119 /nfs/dbraw/zinc/73/71/19/559737119.db2.gz WFEVWDSNSIVTTN-GOSISDBHSA-N 1 1 373.501 2.278 50 0 FEAAMO Cc1ccc2nc([C@H](NC(=O)N3CC[NH+](CCCO)CC3)C(C)C)[nH]c2c1 ZINC000426535965 559737120 /nfs/dbraw/zinc/73/71/20/559737120.db2.gz WFEVWDSNSIVTTN-GOSISDBHSA-N 1 1 373.501 2.278 50 0 FEAAMO COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(OCC[NH3+])c1 ZINC000426581325 559738259 /nfs/dbraw/zinc/73/82/59/559738259.db2.gz SPJQIWJUZZTPKU-KRWDZBQOSA-N 1 1 369.465 2.037 50 0 FEAAMO CN(Cc1ccccc1Cl)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426728267 559741005 /nfs/dbraw/zinc/74/10/05/559741005.db2.gz KTFGHFUTLPMJRJ-CQSZACIVSA-N 1 1 362.861 2.675 50 0 FEAAMO CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2c3ccccc3oc21 ZINC000216520143 568126891 /nfs/dbraw/zinc/12/68/91/568126891.db2.gz XRTBAWQVGOIVPC-MRXNPFEDSA-N 1 1 351.406 2.023 50 0 FEAAMO CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2c3ccccc3oc21 ZINC000216520143 568126892 /nfs/dbraw/zinc/12/68/92/568126892.db2.gz XRTBAWQVGOIVPC-MRXNPFEDSA-N 1 1 351.406 2.023 50 0 FEAAMO C[C@@H](CNC(=O)Nc1ccccc1-n1cccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048151621 570935483 /nfs/dbraw/zinc/93/54/83/570935483.db2.gz MXNALPVIRXDDAR-ARFHVFGLSA-N 1 1 357.458 2.492 50 0 FEAAMO O[C@@H](Cn1cccn1)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000048260623 570938714 /nfs/dbraw/zinc/93/87/14/570938714.db2.gz LLKYYNRVJJMUMG-QGZVFWFLSA-N 1 1 356.495 2.277 50 0 FEAAMO CN(Cc1ccc(Br)o1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000083862644 571054839 /nfs/dbraw/zinc/05/48/39/571054839.db2.gz FEFFEVNZRWIQHT-UHFFFAOYSA-N 1 1 353.220 2.305 50 0 FEAAMO COCCN(Cc1ccccc1OC)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426428748 571135498 /nfs/dbraw/zinc/13/54/98/571135498.db2.gz IQCREQASPHCTLJ-OAHLLOKOSA-N 1 1 358.442 2.224 50 0 FEAAMO COc1cc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cc(OC)c1 ZINC000078459282 571141290 /nfs/dbraw/zinc/14/12/90/571141290.db2.gz XKGZSACWTWOFQI-UHFFFAOYSA-N 1 1 356.470 2.140 50 0 FEAAMO CC[C@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000035456186 571148226 /nfs/dbraw/zinc/14/82/26/571148226.db2.gz MXEOLFWTFHCHJW-HNNXBMFYSA-N 1 1 368.481 2.025 50 0 FEAAMO CC[C@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456186 571148227 /nfs/dbraw/zinc/14/82/27/571148227.db2.gz MXEOLFWTFHCHJW-HNNXBMFYSA-N 1 1 368.481 2.025 50 0 FEAAMO C[C@@H]1C[N@H+](CCC(=O)N[C@H](Cn2cccn2)c2ccccc2)C[C@H](C)O1 ZINC000670467454 571358943 /nfs/dbraw/zinc/35/89/43/571358943.db2.gz CBCZKNYBGZCZJA-ZIFCJYIRSA-N 1 1 356.470 2.240 50 0 FEAAMO CCSc1ncc(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)cn1 ZINC000012440463 670002054 /nfs/dbraw/zinc/00/20/54/670002054.db2.gz RGVUBVZKQLDKPM-INIZCTEOSA-N 1 1 359.499 2.235 50 0 FEAAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000667191293 679076226 /nfs/dbraw/zinc/07/62/26/679076226.db2.gz MTJDRLLTPOHRLQ-LBPRGKRZSA-N 1 1 371.478 2.471 50 0 FEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000004152870 539377856 /nfs/dbraw/zinc/37/78/56/539377856.db2.gz XFHDBEBKWIZSMR-CQSZACIVSA-N 1 1 364.442 2.308 50 0 FEAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000004196717 539378187 /nfs/dbraw/zinc/37/81/87/539378187.db2.gz PPZYWGRLAWHOLR-IHRRRGAJSA-N 1 1 355.360 2.433 50 0 FEAAMO Fc1ccc(CNC(=S)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000004708190 539389966 /nfs/dbraw/zinc/38/99/66/539389966.db2.gz INGPVSJXPLVRIY-UHFFFAOYSA-N 1 1 358.486 2.456 50 0 FEAAMO C[NH+]1CCN(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000004734866 539390944 /nfs/dbraw/zinc/39/09/44/539390944.db2.gz KKWJQDHUPJWFHL-UHFFFAOYSA-N 1 1 352.649 2.304 50 0 FEAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)Cc1cccc(F)c1 ZINC000006638860 539432511 /nfs/dbraw/zinc/43/25/11/539432511.db2.gz MSPGFAXFRCRBBC-OAHLLOKOSA-N 1 1 373.428 2.224 50 0 FEAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000006638860 539432515 /nfs/dbraw/zinc/43/25/15/539432515.db2.gz MSPGFAXFRCRBBC-OAHLLOKOSA-N 1 1 373.428 2.224 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)c1ccsc1 ZINC000008863664 539493819 /nfs/dbraw/zinc/49/38/19/539493819.db2.gz NPHWQSOZHWXJFP-AWEZNQCLSA-N 1 1 353.394 2.384 50 0 FEAAMO C[NH+](C)[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1 ZINC000009512441 539504293 /nfs/dbraw/zinc/50/42/93/539504293.db2.gz VANSIKQTHCSWKV-INIZCTEOSA-N 1 1 354.410 2.182 50 0 FEAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccccc2F)[NH+](C)C)c1 ZINC000010091207 539512721 /nfs/dbraw/zinc/51/27/21/539512721.db2.gz GSUZZVVBMBDEEP-INIZCTEOSA-N 1 1 352.431 2.416 50 0 FEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000012196526 539549846 /nfs/dbraw/zinc/54/98/46/539549846.db2.gz SAUHPDPXDQXEQE-HNNXBMFYSA-N 1 1 366.414 2.136 50 0 FEAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1 ZINC000012467398 539561210 /nfs/dbraw/zinc/56/12/10/539561210.db2.gz CAYPIBLMPGUESY-SFHVURJKSA-N 1 1 366.400 2.405 50 0 FEAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000012467398 539561212 /nfs/dbraw/zinc/56/12/12/539561212.db2.gz CAYPIBLMPGUESY-SFHVURJKSA-N 1 1 366.400 2.405 50 0 FEAAMO CN1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000022933314 539703400 /nfs/dbraw/zinc/70/34/00/539703400.db2.gz RSJYZGBWGQAXTA-UHFFFAOYSA-N 1 1 360.285 2.126 50 0 FEAAMO Cc1cc(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)sc3c2)n(C)n1 ZINC000023135875 539707498 /nfs/dbraw/zinc/70/74/98/539707498.db2.gz QJAIUABOEOUCKC-UHFFFAOYSA-N 1 1 370.482 2.342 50 0 FEAAMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 ZINC000023373509 539712918 /nfs/dbraw/zinc/71/29/18/539712918.db2.gz UVUKYVIQNHGPQL-RTBURBONSA-N 1 1 359.539 2.392 50 0 FEAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccco1 ZINC000035360333 539981592 /nfs/dbraw/zinc/98/15/92/539981592.db2.gz DUMVZRGXKCBVNA-OALUTQOASA-N 1 1 369.465 2.141 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505087 539982782 /nfs/dbraw/zinc/98/27/82/539982782.db2.gz HHUKLWQAZUZPAX-CQSZACIVSA-N 1 1 359.499 2.072 50 0 FEAAMO C[N@@H+](CCCNC(=O)c1ccccc1S(C)(=O)=O)Cc1ccccc1 ZINC000040017178 540003997 /nfs/dbraw/zinc/00/39/97/540003997.db2.gz SAOLKODSEFUIEK-UHFFFAOYSA-N 1 1 360.479 2.342 50 0 FEAAMO CC(C)CNC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000040071655 540005082 /nfs/dbraw/zinc/00/50/82/540005082.db2.gz CTXFMJLURGMFOB-UHFFFAOYSA-N 1 1 357.498 2.056 50 0 FEAAMO COc1ccccc1CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040038936 540004630 /nfs/dbraw/zinc/00/46/30/540004630.db2.gz DEDXFLMQWBOABL-HOTGVXAUSA-N 1 1 363.502 2.425 50 0 FEAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105767 540006302 /nfs/dbraw/zinc/00/63/02/540006302.db2.gz WBQLOTFGUDSQBR-KRWDZBQOSA-N 1 1 367.921 2.296 50 0 FEAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105767 540006305 /nfs/dbraw/zinc/00/63/05/540006305.db2.gz WBQLOTFGUDSQBR-KRWDZBQOSA-N 1 1 367.921 2.296 50 0 FEAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105767 540006309 /nfs/dbraw/zinc/00/63/09/540006309.db2.gz WBQLOTFGUDSQBR-KRWDZBQOSA-N 1 1 367.921 2.296 50 0 FEAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000040105767 540006312 /nfs/dbraw/zinc/00/63/12/540006312.db2.gz WBQLOTFGUDSQBR-KRWDZBQOSA-N 1 1 367.921 2.296 50 0 FEAAMO CCOc1ccc(OCCC(=O)NCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000041941151 540041493 /nfs/dbraw/zinc/04/14/93/540041493.db2.gz YIVPOXVSOVDQIM-IYBDPMFKSA-N 1 1 350.459 2.080 50 0 FEAAMO CCOc1ccc(OCCC(=O)NCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000041941151 540041496 /nfs/dbraw/zinc/04/14/96/540041496.db2.gz YIVPOXVSOVDQIM-IYBDPMFKSA-N 1 1 350.459 2.080 50 0 FEAAMO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000252500553 222976399 /nfs/dbraw/zinc/97/63/99/222976399.db2.gz SXQKNEFNFAUZSZ-UHFFFAOYSA-N 1 1 368.478 2.163 50 0 FEAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299755781 223081442 /nfs/dbraw/zinc/08/14/42/223081442.db2.gz CTTMZCOUMWTTOG-SFHVURJKSA-N 1 1 368.481 2.370 50 0 FEAAMO Cc1n[nH]c(C)c1-c1cccc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)c1 ZINC000299790066 223098116 /nfs/dbraw/zinc/09/81/16/223098116.db2.gz AQEZKHXFMNNAPR-SFHVURJKSA-N 1 1 356.470 2.270 50 0 FEAAMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061649068 541137092 /nfs/dbraw/zinc/13/70/92/541137092.db2.gz IRWHDSMPCUYEBU-JKSUJKDBSA-N 1 1 359.401 2.382 50 0 FEAAMO Fc1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1N1CCOCC1 ZINC000065508297 541241295 /nfs/dbraw/zinc/24/12/95/541241295.db2.gz ZGTSLVWWMMOHSB-INIZCTEOSA-N 1 1 357.433 2.139 50 0 FEAAMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000011932775 219944142 /nfs/dbraw/zinc/94/41/42/219944142.db2.gz JEELUNYHHZRIKK-KRWDZBQOSA-N 1 1 353.426 2.416 50 0 FEAAMO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000072121575 541784551 /nfs/dbraw/zinc/78/45/51/541784551.db2.gz GLDHCKRTQHGOKV-UHFFFAOYSA-N 1 1 369.444 2.452 50 0 FEAAMO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000072121575 541784553 /nfs/dbraw/zinc/78/45/53/541784553.db2.gz GLDHCKRTQHGOKV-UHFFFAOYSA-N 1 1 369.444 2.452 50 0 FEAAMO Cc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n[nH]1 ZINC000072164100 541793511 /nfs/dbraw/zinc/79/35/11/541793511.db2.gz LRRDOHPNJREOQA-QXAKKESOSA-N 1 1 352.438 2.126 50 0 FEAAMO C/C=C(\C)C[N@@H+]1CCO[C@]2(C1)COCCN(C(=O)c1cccc(OC)c1)C2 ZINC000072166672 541794262 /nfs/dbraw/zinc/79/42/62/541794262.db2.gz QINAWMJBXCKJMA-VREQBZOKSA-N 1 1 374.481 2.205 50 0 FEAAMO C/C=C(\C)C[N@H+]1CCO[C@]2(C1)COCCN(C(=O)c1cccc(OC)c1)C2 ZINC000072166672 541794263 /nfs/dbraw/zinc/79/42/63/541794263.db2.gz QINAWMJBXCKJMA-VREQBZOKSA-N 1 1 374.481 2.205 50 0 FEAAMO CN1C(=O)CC[C@H](C(=O)Nc2cc(C[NH+](C)C)[nH]n2)[C@H]1c1cccc(F)c1 ZINC000072258559 541796803 /nfs/dbraw/zinc/79/68/03/541796803.db2.gz ZJIQHTVSZYBYAJ-MAUKXSAKSA-N 1 1 373.432 2.159 50 0 FEAAMO CCCN1C(=O)CC[C@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)CC[C@H]21 ZINC000072409339 541806619 /nfs/dbraw/zinc/80/66/19/541806619.db2.gz OGGIKUVTHFVQON-RBUKOAKNSA-N 1 1 357.498 2.368 50 0 FEAAMO CCCN1C(=O)CC[C@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)CC[C@H]21 ZINC000072409339 541806622 /nfs/dbraw/zinc/80/66/22/541806622.db2.gz OGGIKUVTHFVQON-RBUKOAKNSA-N 1 1 357.498 2.368 50 0 FEAAMO Cc1nc2c(c(NCc3ccncc3)n1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000072433006 541813476 /nfs/dbraw/zinc/81/34/76/541813476.db2.gz HANLGHUIRNUMAA-QGZVFWFLSA-N 1 1 353.470 2.229 50 0 FEAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cc(F)cc(F)c2)ncn1 ZINC000072433974 541813828 /nfs/dbraw/zinc/81/38/28/541813828.db2.gz TVHKOLCIWCHUAB-UHFFFAOYSA-N 1 1 373.367 2.483 50 0 FEAAMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)on1 ZINC000072436282 541814034 /nfs/dbraw/zinc/81/40/34/541814034.db2.gz VLZSJQRLPQJYPA-MRXNPFEDSA-N 1 1 358.490 2.477 50 0 FEAAMO COc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 ZINC000072440512 541815323 /nfs/dbraw/zinc/81/53/23/541815323.db2.gz RKPQVYBDXKJIIE-KBXCAEBGSA-N 1 1 350.434 2.030 50 0 FEAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072448168 541816081 /nfs/dbraw/zinc/81/60/81/541816081.db2.gz VPXISIUKUXTSJR-SFHVURJKSA-N 1 1 355.486 2.027 50 0 FEAAMO C[NH+](C)Cc1nc2ccccc2c(SCC(=O)NCC(F)(F)F)n1 ZINC000012979674 220048212 /nfs/dbraw/zinc/04/82/12/220048212.db2.gz YMSFMEKXDARULZ-UHFFFAOYSA-N 1 1 358.389 2.462 50 0 FEAAMO O=C(Nc1cccc2cccnc21)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000014168022 220112142 /nfs/dbraw/zinc/11/21/42/220112142.db2.gz VZGHWHLKKNTICV-MRXNPFEDSA-N 1 1 373.478 2.072 50 0 FEAAMO Cc1nnc(CC(=O)N2CCC[C@@H]3C[N@@H+](Cc4ccc(F)cc4)CC[C@H]32)[nH]1 ZINC000014998668 220139597 /nfs/dbraw/zinc/13/95/97/220139597.db2.gz CAPIQZZGKGXTOY-SJLPKXTDSA-N 1 1 371.460 2.308 50 0 FEAAMO CC[C@H](C)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000014988691 220139720 /nfs/dbraw/zinc/13/97/20/220139720.db2.gz ABLGZZWRNWBPKW-HNNXBMFYSA-N 1 1 373.476 2.294 50 0 FEAAMO CCc1[nH]c(CN2CCc3c(c(C(=O)NC4CCCC4)nn3C)C2)c(C)[nH+]1 ZINC000019147210 220238048 /nfs/dbraw/zinc/23/80/48/220238048.db2.gz KUNSGTXUZTVEDE-UHFFFAOYSA-N 1 1 370.501 2.245 50 0 FEAAMO CNC(=O)Cc1noc(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000075104967 542152540 /nfs/dbraw/zinc/15/25/40/542152540.db2.gz QIPRGOCOHLOEDM-MRXNPFEDSA-N 1 1 358.442 2.484 50 0 FEAAMO CNC(=O)Cc1noc(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000075104967 542152543 /nfs/dbraw/zinc/15/25/43/542152543.db2.gz QIPRGOCOHLOEDM-MRXNPFEDSA-N 1 1 358.442 2.484 50 0 FEAAMO CCN1CC2(CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)OC1=O ZINC000077338625 542368692 /nfs/dbraw/zinc/36/86/92/542368692.db2.gz KCGOYCXIUNOCCG-SFHVURJKSA-N 1 1 371.481 2.484 50 0 FEAAMO Cc1ccc(C(=O)NC(=S)N2CC[NH+](C)CC2)cc1Br ZINC000019860651 220302123 /nfs/dbraw/zinc/30/21/23/220302123.db2.gz YHNGNROSIYSLSH-UHFFFAOYSA-N 1 1 356.289 2.020 50 0 FEAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1Cc1ccccc1 ZINC000019868210 220302964 /nfs/dbraw/zinc/30/29/64/220302964.db2.gz RVRUUJXJRMMXPG-HXUWFJFHSA-N 1 1 363.461 2.132 50 0 FEAAMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccc3OCCO)C2)CN1C1CC1 ZINC000077379807 542375347 /nfs/dbraw/zinc/37/53/47/542375347.db2.gz QGDBYIMQGPZVFE-OAQYLSRUSA-N 1 1 358.482 2.425 50 0 FEAAMO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCN(C(C)C)C(C)C)c1 ZINC000022782785 220399298 /nfs/dbraw/zinc/39/92/98/220399298.db2.gz DXCUERULBCUFBO-SFHVURJKSA-N 1 1 366.502 2.311 50 0 FEAAMO COc1cc2c(cc1OC)C[N@H+](C1CCN(Cc3ncon3)CC1)CC2 ZINC000299756698 533171044 /nfs/dbraw/zinc/17/10/44/533171044.db2.gz HUEOXZSNPKOFHQ-UHFFFAOYSA-N 1 1 358.442 2.110 50 0 FEAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 ZINC000048310012 221006231 /nfs/dbraw/zinc/00/62/31/221006231.db2.gz SUGKURLIGMITRB-IYBDPMFKSA-N 1 1 370.497 2.389 50 0 FEAAMO CC(C)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000048303081 221006663 /nfs/dbraw/zinc/00/66/63/221006663.db2.gz QMTPOOAMLGBVEU-UHFFFAOYSA-N 1 1 368.499 2.200 50 0 FEAAMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C(N)=O)CC3)cs2)cc1 ZINC000050958425 221033287 /nfs/dbraw/zinc/03/32/87/221033287.db2.gz KGCWSONFTZQIDO-UHFFFAOYSA-N 1 1 359.451 2.294 50 0 FEAAMO Cc1c(NCc2cccnc2)cccc1C(=O)NCC[N@H+]1CCC[C@@H](O)C1 ZINC000055182444 221061434 /nfs/dbraw/zinc/06/14/34/221061434.db2.gz HWGHWRHTKZDHEB-GOSISDBHSA-N 1 1 368.481 2.189 50 0 FEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000055277942 221064956 /nfs/dbraw/zinc/06/49/56/221064956.db2.gz GFYSYTKYWMMPFF-QGZVFWFLSA-N 1 1 364.442 2.342 50 0 FEAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000054224044 221051666 /nfs/dbraw/zinc/05/16/66/221051666.db2.gz GBWJUBACLCACNA-HIFRSBDPSA-N 1 1 372.498 2.052 50 0 FEAAMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994497 221055925 /nfs/dbraw/zinc/05/59/25/221055925.db2.gz ZBOLKUFPYZTSLS-CQSZACIVSA-N 1 1 352.862 2.419 50 0 FEAAMO COCCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000057172704 221084742 /nfs/dbraw/zinc/08/47/42/221084742.db2.gz BYRZLJVBYZNVRM-IBGZPJMESA-N 1 1 369.465 2.388 50 0 FEAAMO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000058179462 221103687 /nfs/dbraw/zinc/10/36/87/221103687.db2.gz HSGZIBJUVLHPCI-UHFFFAOYSA-N 1 1 367.457 2.377 50 0 FEAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000057373553 221087854 /nfs/dbraw/zinc/08/78/54/221087854.db2.gz VLSYWIROWHABRO-GOSISDBHSA-N 1 1 357.454 2.210 50 0 FEAAMO COc1cc(OC)c(OC)cc1CNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000058264599 221111097 /nfs/dbraw/zinc/11/10/97/221111097.db2.gz PYCMYGURUICPHU-UHFFFAOYSA-N 1 1 363.458 2.092 50 0 FEAAMO Cc1ccn2cc(C(=O)N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000058305943 221113875 /nfs/dbraw/zinc/11/38/75/221113875.db2.gz GUBJWXWPJFIAJX-BBWFWOEESA-N 1 1 356.470 2.357 50 0 FEAAMO Cc1ccn2cc(C(=O)N3CCC[C@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)nc2c1 ZINC000058305943 221113877 /nfs/dbraw/zinc/11/38/77/221113877.db2.gz GUBJWXWPJFIAJX-BBWFWOEESA-N 1 1 356.470 2.357 50 0 FEAAMO Cc1ccc(-c2nn(C)cc2CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000064861013 221155140 /nfs/dbraw/zinc/15/51/40/221155140.db2.gz QLLFCXIASBVNBX-UHFFFAOYSA-N 1 1 370.497 2.167 50 0 FEAAMO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000065288775 221196232 /nfs/dbraw/zinc/19/62/32/221196232.db2.gz JPTVTNFJOUFZER-KRWDZBQOSA-N 1 1 359.470 2.048 50 0 FEAAMO CCc1nc(C)c([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](CC)C[C@H]32)[nH]1 ZINC000065383407 221207378 /nfs/dbraw/zinc/20/73/78/221207378.db2.gz UIGMRZBSQOXNBX-SQBLYHGDSA-N 1 1 354.498 2.381 50 0 FEAAMO Cc1cncc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000065383574 221207460 /nfs/dbraw/zinc/20/74/60/221207460.db2.gz YUNUZLJIIVJMFG-KRWDZBQOSA-N 1 1 352.438 2.340 50 0 FEAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000065386742 221208867 /nfs/dbraw/zinc/20/88/67/221208867.db2.gz HYTUSHSJYQCYGU-MRXNPFEDSA-N 1 1 367.405 2.117 50 0 FEAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000065386742 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O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)c1nnc2n1CCCC2 ZINC000299790967 534627934 /nfs/dbraw/zinc/62/79/34/534627934.db2.gz CATWWIRLQQTHRI-MRXNPFEDSA-N 1 1 357.433 2.320 50 0 FEAAMO CCn1ccnc1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000244715865 523529746 /nfs/dbraw/zinc/52/97/46/523529746.db2.gz LDSXIWWDHLWIBE-IYARVYRRSA-N 1 1 374.529 2.411 50 0 FEAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)C2 ZINC000091635787 524026735 /nfs/dbraw/zinc/02/67/35/524026735.db2.gz HBTUOYFCKSQSTM-DGCLKSJQSA-N 1 1 370.280 2.276 50 0 FEAAMO COc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(C(C)C)C2=O ZINC000091526771 524463165 /nfs/dbraw/zinc/46/31/65/524463165.db2.gz DQBCIFHKBOMNBA-NRFANRHFSA-N 1 1 373.497 2.034 50 0 FEAAMO COc1cccc(CC(=O)N2CCC(C[N@H+]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468252 525866082 /nfs/dbraw/zinc/86/60/82/525866082.db2.gz CQJLYNWXQLDPKK-KRWDZBQOSA-N 1 1 359.514 2.112 50 0 FEAAMO c1ccc(OCCN2CCOCC2)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248028609 526486004 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CN(C)C(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077516992 542391647 /nfs/dbraw/zinc/39/16/47/542391647.db2.gz WMSKIJQFPLSXNF-QFIPXVFZSA-N 1 1 371.525 2.412 50 0 FEAAMO CCc1ccc2nc(C)cc(C(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)c2c1 ZINC000077459936 542385291 /nfs/dbraw/zinc/38/52/91/542385291.db2.gz RSZHBVAEDUVZAP-QGZVFWFLSA-N 1 1 352.482 2.177 50 0 FEAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)CN1CCO ZINC000077503944 542390075 /nfs/dbraw/zinc/39/00/75/542390075.db2.gz AHVQBEWAHOTDOA-IBGZPJMESA-N 1 1 368.424 2.485 50 0 FEAAMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]c(C)n3)CC2)[C@H]1O ZINC000020774748 220341520 /nfs/dbraw/zinc/34/15/20/220341520.db2.gz LCTQQMSOTDHSIB-MOPGFXCFSA-N 1 1 368.481 2.259 50 0 FEAAMO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc(C)[nH]3)CC2)[C@H]1O ZINC000020774748 220341523 /nfs/dbraw/zinc/34/15/23/220341523.db2.gz LCTQQMSOTDHSIB-MOPGFXCFSA-N 1 1 368.481 2.259 50 0 FEAAMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc(C)[nH]3)CC2)[C@H]1O ZINC000020774748 220341526 /nfs/dbraw/zinc/34/15/26/220341526.db2.gz LCTQQMSOTDHSIB-MOPGFXCFSA-N 1 1 368.481 2.259 50 0 FEAAMO CC(=O)Nc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021266111 220356834 /nfs/dbraw/zinc/35/68/34/220356834.db2.gz CQXIHHGDGGQUMH-UHFFFAOYSA-N 1 1 366.465 2.401 50 0 FEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)COCCOc2ccccc2)C[C@@H](C)O1 ZINC000049624094 221026254 /nfs/dbraw/zinc/02/62/54/221026254.db2.gz GCHRXUOBZDKYJC-IAGOWNOFSA-N 1 1 364.486 2.086 50 0 FEAAMO O=S(=O)(Cc1ccccc1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000054992192 221056744 /nfs/dbraw/zinc/05/67/44/221056744.db2.gz UJSMHXSHJORSNH-UHFFFAOYSA-N 1 1 356.491 2.301 50 0 FEAAMO CCCCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000055029215 221057478 /nfs/dbraw/zinc/05/74/78/221057478.db2.gz WEEUHHVRJLXKRC-HNNXBMFYSA-N 1 1 352.523 2.388 50 0 FEAAMO CCC[NH+](CCC)Cc1ccc(C(=O)NCCN2CCC(O)CC2)cc1 ZINC000055414460 221069755 /nfs/dbraw/zinc/06/97/55/221069755.db2.gz ALGFUEOYKGCOKC-UHFFFAOYSA-N 1 1 361.530 2.495 50 0 FEAAMO CCOc1cc(C[NH2+]CCNS(C)(=O)=O)c(Cl)cc1OC(C)C ZINC000055342063 221067736 /nfs/dbraw/zinc/06/77/36/221067736.db2.gz YHCRJBXXWRZDRI-UHFFFAOYSA-N 1 1 364.895 2.165 50 0 FEAAMO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000055376433 221068748 /nfs/dbraw/zinc/06/87/48/221068748.db2.gz WZARNQWBFOEURI-INIZCTEOSA-N 1 1 350.484 2.358 50 0 FEAAMO [NH2+]=C(NCCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1 ZINC000057752172 221093242 /nfs/dbraw/zinc/09/32/42/221093242.db2.gz QEPHDZFMFSEWDD-UHFFFAOYSA-N 1 1 351.498 2.118 50 0 FEAAMO CCCCn1c2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n(CC)c2c(=O)[nH]c1=O ZINC000058019514 221097709 /nfs/dbraw/zinc/09/77/09/221097709.db2.gz YZBQVJMGQSXJOG-ZIAGYGMSSA-N 1 1 361.490 2.184 50 0 FEAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC1CCCC1 ZINC000058283383 221112787 /nfs/dbraw/zinc/11/27/87/221112787.db2.gz WIJJPTFMMSUKOW-UHFFFAOYSA-N 1 1 374.485 2.395 50 0 FEAAMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000058382406 221117083 /nfs/dbraw/zinc/11/70/83/221117083.db2.gz AZJAENJHWGXPHX-NSHDSACASA-N 1 1 352.378 2.348 50 0 FEAAMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000058382406 221117086 /nfs/dbraw/zinc/11/70/86/221117086.db2.gz AZJAENJHWGXPHX-NSHDSACASA-N 1 1 352.378 2.348 50 0 FEAAMO Cc1ccc2nc(CNC(=O)c3cc4n(n3)CCC[N@@H+](C(C)C)C4)cn2c1 ZINC000065403264 221212209 /nfs/dbraw/zinc/21/22/09/221212209.db2.gz LJVNGJJZJPTAEB-UHFFFAOYSA-N 1 1 366.469 2.383 50 0 FEAAMO Cc1ccc2nc(CNC(=O)c3cc4n(n3)CCC[N@H+](C(C)C)C4)cn2c1 ZINC000065403264 221212211 /nfs/dbraw/zinc/21/22/11/221212211.db2.gz LJVNGJJZJPTAEB-UHFFFAOYSA-N 1 1 366.469 2.383 50 0 FEAAMO Cc1cc(C[C@@H](C)NC(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)n[nH]1 ZINC000065407096 221214372 /nfs/dbraw/zinc/21/43/72/221214372.db2.gz CYOHOQOKABKLFV-OAHLLOKOSA-N 1 1 356.470 2.275 50 0 FEAAMO COc1cc(NC(=O)C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc(OC)c1 ZINC000065408365 221214602 /nfs/dbraw/zinc/21/46/02/221214602.db2.gz QJKWWZIVQOOUGT-MRXNPFEDSA-N 1 1 358.442 2.403 50 0 FEAAMO COc1cc(NC(=O)C[N@H+]2CC[C@@H](n3nc(C)cc3C)C2)cc(OC)c1 ZINC000065408365 221214603 /nfs/dbraw/zinc/21/46/03/221214603.db2.gz QJKWWZIVQOOUGT-MRXNPFEDSA-N 1 1 358.442 2.403 50 0 FEAAMO C[C@@H]([NH2+]CCN1N=C(c2ccccc2)CCC1=O)C(=O)Nc1nccs1 ZINC000065433533 221218824 /nfs/dbraw/zinc/21/88/24/221218824.db2.gz WAAQQTZOAZEKNA-CYBMUJFWSA-N 1 1 371.466 2.086 50 0 FEAAMO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000065468634 221222601 /nfs/dbraw/zinc/22/26/01/221222601.db2.gz YFTKEMRHZYVQTN-OAQYLSRUSA-N 1 1 354.450 2.213 50 0 FEAAMO COc1ccccc1CNC(=O)C[N@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000065468634 221222606 /nfs/dbraw/zinc/22/26/06/221222606.db2.gz YFTKEMRHZYVQTN-OAQYLSRUSA-N 1 1 354.450 2.213 50 0 FEAAMO COc1ccc(CNC(=O)CC[N@@H+]2CC=C(c3cnn(C)c3)CC2)cc1 ZINC000065489599 221224608 /nfs/dbraw/zinc/22/46/08/221224608.db2.gz REBHDKIQQFJQCT-UHFFFAOYSA-N 1 1 354.454 2.224 50 0 FEAAMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000065513652 221228867 /nfs/dbraw/zinc/22/88/67/221228867.db2.gz IRWHDSMPCUYEBU-CVEARBPZSA-N 1 1 359.401 2.382 50 0 FEAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2c(F)cccc2F)[nH+]1 ZINC000067603690 221260638 /nfs/dbraw/zinc/26/06/38/221260638.db2.gz LBFMKISRUXPJHK-UHFFFAOYSA-N 1 1 358.352 2.091 50 0 FEAAMO CC[C@]1(CO)CCCN(C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)C1 ZINC000067723166 221276094 /nfs/dbraw/zinc/27/60/94/221276094.db2.gz KCYYSEDQRZMATH-IBGZPJMESA-N 1 1 359.474 2.403 50 0 FEAAMO CC(C)n1c(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nc2ccccc21 ZINC000067677014 221270575 /nfs/dbraw/zinc/27/05/75/221270575.db2.gz YHTIQEQSNCMTBN-HXUWFJFHSA-N 1 1 369.469 2.427 50 0 FEAAMO O=C(c1cc(COc2c(F)cccc2F)on1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000067689248 221271846 /nfs/dbraw/zinc/27/18/46/221271846.db2.gz RDTDRRSQUUMVPU-LBPRGKRZSA-N 1 1 363.364 2.452 50 0 FEAAMO C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067817212 221288370 /nfs/dbraw/zinc/28/83/70/221288370.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 1 1 362.543 2.191 50 0 FEAAMO C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067817212 221288374 /nfs/dbraw/zinc/28/83/74/221288374.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 1 1 362.543 2.191 50 0 FEAAMO COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067741549 221279408 /nfs/dbraw/zinc/27/94/08/221279408.db2.gz VVLZZBHDJLKLHR-UHFFFAOYSA-N 1 1 351.878 2.201 50 0 FEAAMO COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CC[N@@H+]2C ZINC000067741549 221279410 /nfs/dbraw/zinc/27/94/10/221279410.db2.gz VVLZZBHDJLKLHR-UHFFFAOYSA-N 1 1 351.878 2.201 50 0 FEAAMO COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CC[N@H+]2C ZINC000067741549 221279413 /nfs/dbraw/zinc/27/94/13/221279413.db2.gz VVLZZBHDJLKLHR-UHFFFAOYSA-N 1 1 351.878 2.201 50 0 FEAAMO COc1ccc2cc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784182 221284935 /nfs/dbraw/zinc/28/49/35/221284935.db2.gz UZSULCKVEGBXPP-MRXNPFEDSA-N 1 1 371.481 2.081 50 0 FEAAMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N1CCC[C@H]1c1cccs1 ZINC000070017272 221330484 /nfs/dbraw/zinc/33/04/84/221330484.db2.gz YTDIRDXLGUNACY-SJORKVTESA-N 1 1 363.527 2.208 50 0 FEAAMO CC(C)[C@H]1CN(C(=O)C2=NNC(=O)CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071419303 221348188 /nfs/dbraw/zinc/34/81/88/221348188.db2.gz TZKITRKZKZOLEN-GOSISDBHSA-N 1 1 374.460 2.151 50 0 FEAAMO CC(C)C[C@H](O)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082108329 542683970 /nfs/dbraw/zinc/68/39/70/542683970.db2.gz CDAPPUABPYHWLD-IBGZPJMESA-N 1 1 362.518 2.445 50 0 FEAAMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000085468221 542728288 /nfs/dbraw/zinc/72/82/88/542728288.db2.gz NXFFABQXAAICDN-CQSZACIVSA-N 1 1 351.441 2.453 50 0 FEAAMO Cc1cccc([C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)[NH+](C)C)c1 ZINC000082121917 132196330 /nfs/dbraw/zinc/19/63/30/132196330.db2.gz OJKLDQODHXAQKP-FQEVSTJZSA-N 1 1 351.450 2.473 50 0 FEAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082134977 132196694 /nfs/dbraw/zinc/19/66/94/132196694.db2.gz FCNQSPMFLAGLIT-ZBFHGGJFSA-N 1 1 361.873 2.390 50 0 FEAAMO CCCCSc1nc(N2CCC[C@H](CS(C)(=O)=O)C2)cc(N)[nH+]1 ZINC000095380068 132209351 /nfs/dbraw/zinc/20/93/51/132209351.db2.gz ZVTDMAYQDZNCMU-LBPRGKRZSA-N 1 1 358.533 2.212 50 0 FEAAMO CCCCSc1nc(N)cc(N2CCC[C@H](CS(C)(=O)=O)C2)[nH+]1 ZINC000095380068 132209352 /nfs/dbraw/zinc/20/93/52/132209352.db2.gz ZVTDMAYQDZNCMU-LBPRGKRZSA-N 1 1 358.533 2.212 50 0 FEAAMO O=C(NCCc1ccccc1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000096514176 132225445 /nfs/dbraw/zinc/22/54/45/132225445.db2.gz RBQAVYLFOYJUBR-UHFFFAOYSA-N 1 1 352.482 2.351 50 0 FEAAMO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)cs1 ZINC000091468989 542809263 /nfs/dbraw/zinc/80/92/63/542809263.db2.gz GBYWEADDABPMTR-UHFFFAOYSA-N 1 1 359.499 2.438 50 0 FEAAMO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)cs1 ZINC000091468989 542809266 /nfs/dbraw/zinc/80/92/66/542809266.db2.gz GBYWEADDABPMTR-UHFFFAOYSA-N 1 1 359.499 2.438 50 0 FEAAMO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808961 /nfs/dbraw/zinc/80/89/61/542808961.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 1 1 357.498 2.243 50 0 FEAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(Cc2ccc3ncccc3c2)C1 ZINC000091460867 542808964 /nfs/dbraw/zinc/80/89/64/542808964.db2.gz QIDQPCVTONNJGT-MOPGFXCFSA-N 1 1 357.498 2.243 50 0 FEAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(Cl)cc1F)C2 ZINC000091462173 542809125 /nfs/dbraw/zinc/80/91/25/542809125.db2.gz YEJIYRKVCLNGGE-GXTWGEPZSA-N 1 1 367.852 2.104 50 0 FEAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(Cl)cc1F)C2 ZINC000091462173 542809130 /nfs/dbraw/zinc/80/91/30/542809130.db2.gz YEJIYRKVCLNGGE-GXTWGEPZSA-N 1 1 367.852 2.104 50 0 FEAAMO CN(C)[C@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1ccccc1F ZINC000091535582 542811564 /nfs/dbraw/zinc/81/15/64/542811564.db2.gz VURRBFCVEDXKOJ-SFHVURJKSA-N 1 1 363.477 2.190 50 0 FEAAMO C[NH+]1CCN(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091657389 542819212 /nfs/dbraw/zinc/81/92/12/542819212.db2.gz SWCYTRVBAHRNMR-FQEVSTJZSA-N 1 1 359.470 2.427 50 0 FEAAMO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091650772 542818191 /nfs/dbraw/zinc/81/81/91/542818191.db2.gz PLYSXVGFDSFTOO-KRWDZBQOSA-N 1 1 356.470 2.285 50 0 FEAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccnc1)CC2 ZINC000091908540 542832071 /nfs/dbraw/zinc/83/20/71/542832071.db2.gz HQZNQNBSFAYHIY-UHFFFAOYSA-N 1 1 353.470 2.450 50 0 FEAAMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830411 /nfs/dbraw/zinc/83/04/11/542830411.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 1 1 362.514 2.153 50 0 FEAAMO C[N@@H+]1CCCCC[C@H]1c1nc(CC(N)=O)nn1-c1cccc2cccnc21 ZINC000091943632 542833310 /nfs/dbraw/zinc/83/33/10/542833310.db2.gz DFTGYORPOXJTSW-INIZCTEOSA-N 1 1 364.453 2.390 50 0 FEAAMO C[N@H+]1CCCCC[C@H]1c1nc(CC(N)=O)nn1-c1cccc2cccnc21 ZINC000091943632 542833312 /nfs/dbraw/zinc/83/33/12/542833312.db2.gz DFTGYORPOXJTSW-INIZCTEOSA-N 1 1 364.453 2.390 50 0 FEAAMO Cc1cc(Cl)ccc1NC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091934751 542833613 /nfs/dbraw/zinc/83/36/13/542833613.db2.gz GJPFKQIWJSDXIF-SFHVURJKSA-N 1 1 364.877 2.467 50 0 FEAAMO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000092028886 542839565 /nfs/dbraw/zinc/83/95/65/542839565.db2.gz VALFOIOPHACXEC-SJLPKXTDSA-N 1 1 361.449 2.466 50 0 FEAAMO CCc1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000092065243 542841872 /nfs/dbraw/zinc/84/18/72/542841872.db2.gz GCHDQNVWHNCFFG-QFIPXVFZSA-N 1 1 373.541 2.394 50 0 FEAAMO CCc1ccc(C[N@@H+]2CCN(C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000092065243 542841875 /nfs/dbraw/zinc/84/18/75/542841875.db2.gz GCHDQNVWHNCFFG-QFIPXVFZSA-N 1 1 373.541 2.394 50 0 FEAAMO CCc1ccc(C[N@H+]2CCN(C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000092065243 542841879 /nfs/dbraw/zinc/84/18/79/542841879.db2.gz GCHDQNVWHNCFFG-QFIPXVFZSA-N 1 1 373.541 2.394 50 0 FEAAMO Cc1ccc(N2CCC[N@@H+](Cc3ccccc3N3CCOCC3)CC2)nn1 ZINC000093272177 542923026 /nfs/dbraw/zinc/92/30/26/542923026.db2.gz XXGWILZHKTXAPH-UHFFFAOYSA-N 1 1 367.497 2.334 50 0 FEAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000093454436 542930898 /nfs/dbraw/zinc/93/08/98/542930898.db2.gz KQRFIYNCBHMYKQ-HNNXBMFYSA-N 1 1 351.882 2.315 50 0 FEAAMO COc1ccccc1N1CC[NH+](CCNC(=O)Cc2ccc(F)cc2)CC1 ZINC000056997315 136128029 /nfs/dbraw/zinc/12/80/29/136128029.db2.gz UBXIGEISOVKJDG-UHFFFAOYSA-N 1 1 371.456 2.315 50 0 FEAAMO CC(=O)c1ccc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071775644 136141092 /nfs/dbraw/zinc/14/10/92/136141092.db2.gz NHTPSDXRKIKARD-KRWDZBQOSA-N 1 1 370.497 2.244 50 0 FEAAMO O=C(c1ccccc1F)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072119295 136142004 /nfs/dbraw/zinc/14/20/04/136142004.db2.gz MWDKWHBFKRTBCN-UHFFFAOYSA-N 1 1 355.417 2.178 50 0 FEAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072422301 136146105 /nfs/dbraw/zinc/14/61/05/136146105.db2.gz DTRKBIZOITVKKE-KRWDZBQOSA-N 1 1 351.454 2.340 50 0 FEAAMO CN(C)[C@@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1ccc(F)cc1 ZINC000095352836 542957472 /nfs/dbraw/zinc/95/74/72/542957472.db2.gz RJLJZOGIVVLGDG-LJQANCHMSA-N 1 1 358.461 2.074 50 0 FEAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095354707 542958378 /nfs/dbraw/zinc/95/83/78/542958378.db2.gz NFAHOVZFPHYIRO-HNNXBMFYSA-N 1 1 355.446 2.044 50 0 FEAAMO Cc1nccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384231 542965848 /nfs/dbraw/zinc/96/58/48/542965848.db2.gz YOJWFUHNBWWJHD-QGZVFWFLSA-N 1 1 366.469 2.454 50 0 FEAAMO C[NH+](C)[C@@H](C(=O)NCCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 ZINC000095391976 542968313 /nfs/dbraw/zinc/96/83/13/542968313.db2.gz NRVLQNVHZGLZOQ-QGZVFWFLSA-N 1 1 369.400 2.232 50 0 FEAAMO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095391957 542968324 /nfs/dbraw/zinc/96/83/24/542968324.db2.gz NFMLEFQHELMCHW-QZTJIDSGSA-N 1 1 361.449 2.466 50 0 FEAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 ZINC000095497684 542974192 /nfs/dbraw/zinc/97/41/92/542974192.db2.gz MBAZZCOWKGARDT-KRWDZBQOSA-N 1 1 350.426 2.001 50 0 FEAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000096000008 542986887 /nfs/dbraw/zinc/98/68/87/542986887.db2.gz YYGXTYOSCCFMDF-CQSZACIVSA-N 1 1 364.471 2.169 50 0 FEAAMO Cc1[nH+]ccn1CCN(C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1C ZINC000096149285 542993761 /nfs/dbraw/zinc/99/37/61/542993761.db2.gz GDYQMAOVIDHLFK-UHFFFAOYSA-N 1 1 365.459 2.035 50 0 FEAAMO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106131002 543205696 /nfs/dbraw/zinc/20/56/96/543205696.db2.gz VMDFICQAILTBRX-KRWDZBQOSA-N 1 1 361.534 2.117 50 0 FEAAMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106131002 543205699 /nfs/dbraw/zinc/20/56/99/543205699.db2.gz VMDFICQAILTBRX-KRWDZBQOSA-N 1 1 361.534 2.117 50 0 FEAAMO CS(=O)(=O)c1ccc(OCCCN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000247493509 549344018 /nfs/dbraw/zinc/34/40/18/549344018.db2.gz CGVXRQDQSKPFJF-INIZCTEOSA-N 1 1 352.500 2.029 50 0 FEAAMO Cc1c([C@@H](C)NC(=O)CC[NH+]2CCOCC2)cnn1-c1cccc(F)c1 ZINC000091745368 221790691 /nfs/dbraw/zinc/79/06/91/221790691.db2.gz AQTPBUPSTHVQBN-CQSZACIVSA-N 1 1 360.433 2.219 50 0 FEAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnn3ccccc13)C2 ZINC000092065844 221835136 /nfs/dbraw/zinc/83/51/36/221835136.db2.gz ARQDYLPDIXJQCD-JKSUJKDBSA-N 1 1 364.453 2.102 50 0 FEAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnn3ccccc13)C2 ZINC000092065844 221835139 /nfs/dbraw/zinc/83/51/39/221835139.db2.gz ARQDYLPDIXJQCD-JKSUJKDBSA-N 1 1 364.453 2.102 50 0 FEAAMO CC[C@H](NC(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1)c1ccnn1C ZINC000096150766 222052089 /nfs/dbraw/zinc/05/20/89/222052089.db2.gz XVXKETXZKPNUPV-HNNXBMFYSA-N 1 1 358.446 2.193 50 0 FEAAMO CN(C)c1nc(Cl)c(C[NH+]2CCC(O)(Cn3ccnc3)CC2)s1 ZINC000097480139 222185108 /nfs/dbraw/zinc/18/51/08/222185108.db2.gz PVASRPOFYFNWEE-UHFFFAOYSA-N 1 1 355.895 2.086 50 0 FEAAMO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+](C)CCc1c(C)n[nH]c1C ZINC000097600916 222196550 /nfs/dbraw/zinc/19/65/50/222196550.db2.gz JLBUURSXDXIZPA-UHFFFAOYSA-N 1 1 371.485 2.469 50 0 FEAAMO COc1c[nH]c(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1=O ZINC000102533512 222298792 /nfs/dbraw/zinc/29/87/92/222298792.db2.gz KEMPURIPCKRKBV-MRXNPFEDSA-N 1 1 355.438 2.026 50 0 FEAAMO CNC(=O)c1ccc(C[N@H+](CC(=O)NCCc2cccs2)C2CC2)cc1 ZINC000025192151 263388251 /nfs/dbraw/zinc/38/82/51/263388251.db2.gz OIVRZWQJGNJXAD-UHFFFAOYSA-N 1 1 371.506 2.431 50 0 FEAAMO CNC(=O)c1ccc(C[N@@H+](CC(=O)NCCc2cccs2)C2CC2)cc1 ZINC000025192151 263388254 /nfs/dbraw/zinc/38/82/54/263388254.db2.gz OIVRZWQJGNJXAD-UHFFFAOYSA-N 1 1 371.506 2.431 50 0 FEAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299755006 534239964 /nfs/dbraw/zinc/23/99/64/534239964.db2.gz BITCBNYHCCFZQP-RBUKOAKNSA-N 1 1 350.426 2.118 50 0 FEAAMO CC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082108118 518335851 /nfs/dbraw/zinc/33/58/51/518335851.db2.gz IDBRQLPYPSBNCN-OAQYLSRUSA-N 1 1 358.482 2.476 50 0 FEAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-c3cscn3)c2)C1 ZINC000299771220 534425793 /nfs/dbraw/zinc/42/57/93/534425793.db2.gz WWJPXNIATIRRFC-CQSZACIVSA-N 1 1 373.482 2.129 50 0 FEAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)C2(C)CC2)CC1 ZINC000091505446 523208511 /nfs/dbraw/zinc/20/85/11/523208511.db2.gz GYYIPQCODBUIOA-UHFFFAOYSA-N 1 1 356.474 2.357 50 0 FEAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](OC)C3)n2)c(OC)c1OC ZINC000014948742 523286188 /nfs/dbraw/zinc/28/61/88/523286188.db2.gz DWZBYVJDXZQVSL-GFCCVEGCSA-N 1 1 363.414 2.373 50 0 FEAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](OC)C3)n2)c(OC)c1OC ZINC000014948742 523286195 /nfs/dbraw/zinc/28/61/95/523286195.db2.gz DWZBYVJDXZQVSL-GFCCVEGCSA-N 1 1 363.414 2.373 50 0 FEAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091663331 524291420 /nfs/dbraw/zinc/29/14/20/524291420.db2.gz WVAHZIIAVPZTHF-KOUHRCEDSA-N 1 1 374.525 2.104 50 0 FEAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CNC(=O)c1ccccc1F ZINC000065512711 527383872 /nfs/dbraw/zinc/38/38/72/527383872.db2.gz AONBLCMQBGKGJY-UHFFFAOYSA-N 1 1 366.396 2.366 50 0 FEAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000034668669 535638257 /nfs/dbraw/zinc/63/82/57/535638257.db2.gz FHNKTRZSBGSJOQ-INIZCTEOSA-N 1 1 364.921 2.015 50 0 FEAAMO C[NH+]1CCN(c2ncc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000075161856 536427060 /nfs/dbraw/zinc/42/70/60/536427060.db2.gz BDUHVKRJRKKLKL-UHFFFAOYSA-N 1 1 365.359 2.500 50 0 FEAAMO C[C@H]1C[N@H+](C2CCN(Cc3nnc(-c4ccccc4)n3C)CC2)CCO1 ZINC000171749757 546223527 /nfs/dbraw/zinc/22/35/27/546223527.db2.gz FOGFAFFCKSGFDS-INIZCTEOSA-N 1 1 355.486 2.167 50 0 FEAAMO CN1CC[NH+](Cc2ccc(C(=O)NCCCc3ccccn3)cc2)CC1 ZINC000179076105 546896520 /nfs/dbraw/zinc/89/65/20/546896520.db2.gz FCXWDMLAPSBHSX-UHFFFAOYSA-N 1 1 352.482 2.192 50 0 FEAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000215085400 548667904 /nfs/dbraw/zinc/66/79/04/548667904.db2.gz BTTYAKWIKNHSQF-HOTGVXAUSA-N 1 1 362.861 2.128 50 0 FEAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3OCCCn3ccnc3)C2)O1 ZINC000215326875 548671836 /nfs/dbraw/zinc/67/18/36/548671836.db2.gz GWDSRMRTYOHNRM-HXUWFJFHSA-N 1 1 370.453 2.427 50 0 FEAAMO c1ccc(OCCN2CCOCC2)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000216080790 548675727 /nfs/dbraw/zinc/67/57/27/548675727.db2.gz PDEFCCFDAGWHNT-HXUWFJFHSA-N 1 1 359.514 2.068 50 0 FEAAMO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)[nH]1 ZINC000216317922 548677070 /nfs/dbraw/zinc/67/70/70/548677070.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 1 359.459 2.365 50 0 FEAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)n1 ZINC000216317922 548677074 /nfs/dbraw/zinc/67/70/74/548677074.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 1 359.459 2.365 50 0 FEAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(Sc4nncn4C)o3)C2)n1 ZINC000216317922 548677079 /nfs/dbraw/zinc/67/70/79/548677079.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 1 359.459 2.365 50 0 FEAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(-n2cncn2)cc1 ZINC000221410645 548705395 /nfs/dbraw/zinc/70/53/95/548705395.db2.gz UACXCYONCWCOCF-IBGZPJMESA-N 1 1 361.449 2.373 50 0 FEAAMO Cc1[nH+]ccn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 ZINC000223411932 548719477 /nfs/dbraw/zinc/71/94/77/548719477.db2.gz KYBOVDKFWCTSLS-FUHIMQAGSA-N 1 1 355.438 2.145 50 0 FEAAMO Cc1ccc(S(=O)(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)c(F)c1 ZINC000223536860 548721289 /nfs/dbraw/zinc/72/12/89/548721289.db2.gz VALVMSGJOONKLL-BVPBIZIASA-N 1 1 368.474 2.054 50 0 FEAAMO CC(C)n1cnc(S(=O)(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225688419 548740091 /nfs/dbraw/zinc/74/00/91/548740091.db2.gz BDAOUHHQYKTYFL-SFHVURJKSA-N 1 1 374.510 2.285 50 0 FEAAMO CC(C)n1cnc(S(=O)(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000225688419 548740096 /nfs/dbraw/zinc/74/00/96/548740096.db2.gz BDAOUHHQYKTYFL-SFHVURJKSA-N 1 1 374.510 2.285 50 0 FEAAMO CC(C)(C)NC(=O)CN1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000229697772 548757132 /nfs/dbraw/zinc/75/71/32/548757132.db2.gz WBQLOTFGUDSQBR-QGZVFWFLSA-N 1 1 367.921 2.296 50 0 FEAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000229697772 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Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3cccnc3)CC2)cc1 ZINC000009069058 539497286 /nfs/dbraw/zinc/49/72/86/539497286.db2.gz QLDAYNKUGMUCRP-UHFFFAOYSA-N 1 1 366.465 2.357 50 0 FEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000009329273 539501132 /nfs/dbraw/zinc/50/11/32/539501132.db2.gz GBIJOWBKNCTYBN-AEFFLSMTSA-N 1 1 373.497 2.427 50 0 FEAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000009595486 539505283 /nfs/dbraw/zinc/50/52/83/539505283.db2.gz RJINPVDNXGHIQD-HOTGVXAUSA-N 1 1 358.486 2.201 50 0 FEAAMO C[C@H]1CCCC[N@@H+]1Cc1nc(N)nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000009328844 539501697 /nfs/dbraw/zinc/50/16/97/539501697.db2.gz SWZWRVPZZYNANX-LBPRGKRZSA-N 1 1 356.430 2.343 50 0 FEAAMO C[C@H]1CCCC[N@H+]1Cc1nc(N)nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000009328844 539501700 /nfs/dbraw/zinc/50/17/00/539501700.db2.gz SWZWRVPZZYNANX-LBPRGKRZSA-N 1 1 356.430 2.343 50 0 FEAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)[NH+](C)C)c1 ZINC000010091235 539512471 /nfs/dbraw/zinc/51/24/71/539512471.db2.gz KZANQDYLTWVQDL-KRWDZBQOSA-N 1 1 352.431 2.416 50 0 FEAAMO CNC(=O)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000011285025 539526689 /nfs/dbraw/zinc/52/66/89/539526689.db2.gz NERAAQAFEYAQNH-CYBMUJFWSA-N 1 1 373.453 2.102 50 0 FEAAMO CNC(=O)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000011285025 539526694 /nfs/dbraw/zinc/52/66/94/539526694.db2.gz NERAAQAFEYAQNH-CYBMUJFWSA-N 1 1 373.453 2.102 50 0 FEAAMO O=C(CSc1ncccn1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011843172 539536400 /nfs/dbraw/zinc/53/64/00/539536400.db2.gz HUAZFCRUFASGAU-QGZVFWFLSA-N 1 1 368.506 2.317 50 0 FEAAMO C/C=C(\C)C[N@@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000012021715 539540911 /nfs/dbraw/zinc/54/09/11/539540911.db2.gz HOEPEEYTKCCCJP-CRKCGEKBSA-N 1 1 371.460 2.214 50 0 FEAAMO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000012030354 539540992 /nfs/dbraw/zinc/54/09/92/539540992.db2.gz LHDDQZSHGPYYFZ-AWEZNQCLSA-N 1 1 359.449 2.309 50 0 FEAAMO COCC[NH+]1CCC(CN(Cc2cc(C)[nH]n2)Cc2ccncc2)CC1 ZINC000012316516 539554501 /nfs/dbraw/zinc/55/45/01/539554501.db2.gz SLNBOPAWAAVYDQ-UHFFFAOYSA-N 1 1 357.502 2.474 50 0 FEAAMO O[C@@H](COc1ccccc1CNCc1cccnc1)C[NH+]1CCSCC1 ZINC000012373728 539557500 /nfs/dbraw/zinc/55/75/00/539557500.db2.gz JGUYWLGWUOIOHC-LJQANCHMSA-N 1 1 373.522 2.160 50 0 FEAAMO CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000012430216 539559083 /nfs/dbraw/zinc/55/90/83/539559083.db2.gz AEYOYGIULHZNPY-SFHVURJKSA-N 1 1 361.530 2.358 50 0 FEAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)C1 ZINC000013942745 539592272 /nfs/dbraw/zinc/59/22/72/539592272.db2.gz IVMRFKVSANFTAF-NVXWUHKLSA-N 1 1 358.438 2.156 50 0 FEAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(CC)cc3)C2=O)C1 ZINC000013942745 539592275 /nfs/dbraw/zinc/59/22/75/539592275.db2.gz IVMRFKVSANFTAF-NVXWUHKLSA-N 1 1 358.438 2.156 50 0 FEAAMO Cn1ncc2c1nc(N1CC[NH+](C)CC1)nc2NCc1ccccc1Cl ZINC000021929144 539689957 /nfs/dbraw/zinc/68/99/57/539689957.db2.gz ZTOJQZNZVRGKNA-UHFFFAOYSA-N 1 1 371.876 2.381 50 0 FEAAMO Cc1cccnc1CN(C)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[nH]2)cc1 ZINC000023192833 539708441 /nfs/dbraw/zinc/70/84/41/539708441.db2.gz ZOZDNIHWDPGKER-UHFFFAOYSA-N 1 1 363.465 2.274 50 0 FEAAMO CCn1c2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2nc(C)c1=O ZINC000023236332 539709109 /nfs/dbraw/zinc/70/91/09/539709109.db2.gz VLIXVWMSDUKNRI-QGZVFWFLSA-N 1 1 368.437 2.351 50 0 FEAAMO COCC[N@@H+](Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1)C1CCN(C)CC1 ZINC000023544130 539715515 /nfs/dbraw/zinc/71/55/15/539715515.db2.gz QHUKADBRTJATJG-UHFFFAOYSA-N 1 1 370.497 2.288 50 0 FEAAMO COCCN(Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1)C1CC[NH+](C)CC1 ZINC000023544130 539715518 /nfs/dbraw/zinc/71/55/18/539715518.db2.gz QHUKADBRTJATJG-UHFFFAOYSA-N 1 1 370.497 2.288 50 0 FEAAMO Cc1cccc2nc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cn21 ZINC000023702940 539719013 /nfs/dbraw/zinc/71/90/13/539719013.db2.gz SBYVZVBHMWVEOR-UHFFFAOYSA-N 1 1 356.470 2.408 50 0 FEAAMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025368596 539758006 /nfs/dbraw/zinc/75/80/06/539758006.db2.gz DSCLJCBYZVXYPT-QGZVFWFLSA-N 1 1 357.406 2.490 50 0 FEAAMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000025368596 539758011 /nfs/dbraw/zinc/75/80/11/539758011.db2.gz DSCLJCBYZVXYPT-QGZVFWFLSA-N 1 1 357.406 2.490 50 0 FEAAMO COC(=O)c1oc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924965 539772527 /nfs/dbraw/zinc/77/25/27/539772527.db2.gz PQTPQDUEJUAWLB-LBPRGKRZSA-N 1 1 366.439 2.215 50 0 FEAAMO COC(=O)c1oc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924965 539772533 /nfs/dbraw/zinc/77/25/33/539772533.db2.gz PQTPQDUEJUAWLB-LBPRGKRZSA-N 1 1 366.439 2.215 50 0 FEAAMO Cc1nn(C)c2ncc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc12 ZINC000032195236 539930655 /nfs/dbraw/zinc/93/06/55/539930655.db2.gz GPUBEIYQKCKZIO-UHFFFAOYSA-N 1 1 371.485 2.042 50 0 FEAAMO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CN1C(=O)OC(C)(C)C ZINC000032919520 539959652 /nfs/dbraw/zinc/95/96/52/539959652.db2.gz FUWIHAAAXPUVTB-ZFWWWQNUSA-N 1 1 352.406 2.466 50 0 FEAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000032935799 539960484 /nfs/dbraw/zinc/96/04/84/539960484.db2.gz NNHURMFDFXVUPL-UHFFFAOYSA-N 1 1 352.500 2.036 50 0 FEAAMO Cc1nc2ccccc2n(CCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1=O ZINC000033005268 539963245 /nfs/dbraw/zinc/96/32/45/539963245.db2.gz NDEZMJDBHWGNJQ-INIZCTEOSA-N 1 1 370.497 2.333 50 0 FEAAMO COCC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036095708 539987226 /nfs/dbraw/zinc/98/72/26/539987226.db2.gz POZYDVQQEPENTB-MRXNPFEDSA-N 1 1 355.475 2.328 50 0 FEAAMO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000036616167 539991325 /nfs/dbraw/zinc/99/13/25/539991325.db2.gz XBMRLBGQIULMKX-AWEZNQCLSA-N 1 1 365.437 2.457 50 0 FEAAMO CSCCCNC(=S)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000036847408 539994903 /nfs/dbraw/zinc/99/49/03/539994903.db2.gz IIMMIONHPADUMN-MRXNPFEDSA-N 1 1 366.600 2.414 50 0 FEAAMO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000037170967 539995921 /nfs/dbraw/zinc/99/59/21/539995921.db2.gz YWPRDCZPCGPPJL-MGPUTAFESA-N 1 1 352.434 2.389 50 0 FEAAMO C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000037170965 539996275 /nfs/dbraw/zinc/99/62/75/539996275.db2.gz YWPRDCZPCGPPJL-FOIQADDNSA-N 1 1 352.434 2.389 50 0 FEAAMO Cn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nn1 ZINC000038489149 539999099 /nfs/dbraw/zinc/99/90/99/539999099.db2.gz WOVRECHGSPTHTB-UHFFFAOYSA-N 1 1 361.449 2.363 50 0 FEAAMO CCn1nc(C)c(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1C ZINC000039551025 540002043 /nfs/dbraw/zinc/00/20/43/540002043.db2.gz AWYDDOPFEGJPCA-HXUWFJFHSA-N 1 1 371.529 2.292 50 0 FEAAMO CCn1nc(C)c(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1C ZINC000039551025 540002045 /nfs/dbraw/zinc/00/20/45/540002045.db2.gz AWYDDOPFEGJPCA-HXUWFJFHSA-N 1 1 371.529 2.292 50 0 FEAAMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)C1 ZINC000040007795 540003733 /nfs/dbraw/zinc/00/37/33/540003733.db2.gz ILZLKWAWVHJMHX-IEBWSBKVSA-N 1 1 367.449 2.143 50 0 FEAAMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)C1 ZINC000040007795 540003735 /nfs/dbraw/zinc/00/37/35/540003735.db2.gz ILZLKWAWVHJMHX-IEBWSBKVSA-N 1 1 367.449 2.143 50 0 FEAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000045980472 540236702 /nfs/dbraw/zinc/23/67/02/540236702.db2.gz BHMVEPXSSOCTOC-UHFFFAOYSA-N 1 1 352.482 2.346 50 0 FEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000052495344 540467805 /nfs/dbraw/zinc/46/78/05/540467805.db2.gz NNPHXMBVVBPRTH-PXAZEXFGSA-N 1 1 353.426 2.359 50 0 FEAAMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000052495344 540467807 /nfs/dbraw/zinc/46/78/07/540467807.db2.gz NNPHXMBVVBPRTH-PXAZEXFGSA-N 1 1 353.426 2.359 50 0 FEAAMO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(O)CC2)c2cccnc2)c(C)c1 ZINC000299763027 223084373 /nfs/dbraw/zinc/08/43/73/223084373.db2.gz FZQJYJBJZQPCDP-NRFANRHFSA-N 1 1 353.466 2.361 50 0 FEAAMO C[C@H]1CCC(=O)N1c1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000299764536 223086205 /nfs/dbraw/zinc/08/62/05/223086205.db2.gz ITQFGDOUGAJVDS-HNNXBMFYSA-N 1 1 360.458 2.046 50 0 FEAAMO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000299790021 223097353 /nfs/dbraw/zinc/09/73/53/223097353.db2.gz AQKJXMFPDVCWHA-UHFFFAOYSA-N 1 1 355.442 2.405 50 0 FEAAMO O=C(c1cn2cccnc2n1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000299774852 223090582 /nfs/dbraw/zinc/09/05/82/223090582.db2.gz IWNYPMMFMZDSMS-UHFFFAOYSA-N 1 1 361.449 2.045 50 0 FEAAMO CO[C@]12CC[N@@H+](Cc3cn4cc(C)ccc4n3)[C@H]1C[C@H](OCCO)CC2 ZINC000299802550 223105906 /nfs/dbraw/zinc/10/59/06/223105906.db2.gz ZGNXASAQPREBMC-WSTZPKSXSA-N 1 1 359.470 2.164 50 0 FEAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)cc1F ZINC000299802716 223106140 /nfs/dbraw/zinc/10/61/40/223106140.db2.gz WBOXCANKODEHEP-LLVKDONJSA-N 1 1 356.829 2.106 50 0 FEAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299792966 223100963 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CCC(CC)C[NH+]1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 ZINC000096150171 222051269 /nfs/dbraw/zinc/05/12/69/222051269.db2.gz VMQZGSYBYJUFKL-UHFFFAOYSA-N 1 1 362.566 2.178 50 0 FEAAMO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)o1 ZINC000097572253 222192219 /nfs/dbraw/zinc/19/22/19/222192219.db2.gz HSNRRUSXPKQMOB-ZDUSSCGKSA-N 1 1 361.467 2.437 50 0 FEAAMO C[N@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000097618003 222200274 /nfs/dbraw/zinc/20/02/74/222200274.db2.gz MCDCVHCXOJMKCW-KRWDZBQOSA-N 1 1 371.506 2.253 50 0 FEAAMO Cn1nc(C(=O)N(Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1=O ZINC000101746130 222282503 /nfs/dbraw/zinc/28/25/03/222282503.db2.gz NXMQQDHOIFHCBE-PIIMJCKOSA-N 1 1 366.465 2.048 50 0 FEAAMO CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142562 222384181 /nfs/dbraw/zinc/38/41/81/222384181.db2.gz ZBTVJBVJVKUMMH-JTDSTZFVSA-N 1 1 371.485 2.017 50 0 FEAAMO CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106142562 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CCCc1cnc(C)nc1N1CC[NH2+][C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000072149394 535436624 /nfs/dbraw/zinc/43/66/24/535436624.db2.gz UVPCLRDYDZODDA-KRWDZBQOSA-N 1 1 357.433 2.294 50 0 FEAAMO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2ccc(C)nn2)CC1 ZINC000082116322 535981601 /nfs/dbraw/zinc/98/16/01/535981601.db2.gz WPGDNWIEYIYVLC-UHFFFAOYSA-N 1 1 355.490 2.376 50 0 FEAAMO CCc1n[nH]c2c1CN(c1nc(-c3cccnc3)nc3c1CC[NH2+]C3)CC2 ZINC000071747968 536011730 /nfs/dbraw/zinc/01/17/30/536011730.db2.gz CYBPIFXRHPIXDS-UHFFFAOYSA-N 1 1 361.453 2.033 50 0 FEAAMO CCc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071730482 536145208 /nfs/dbraw/zinc/14/52/08/536145208.db2.gz UCIAZBHMOPYKFJ-KRWDZBQOSA-N 1 1 371.529 2.342 50 0 FEAAMO CO[C@@H]1CC[N@@H+](C2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)C1 ZINC000095531686 536678515 /nfs/dbraw/zinc/67/85/15/536678515.db2.gz BWEOOQNIOHFHJP-GOSISDBHSA-N 1 1 359.518 2.465 50 0 FEAAMO CO[C@@H]1CC[N@H+](C2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)C1 ZINC000095531686 536678520 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IYTJVADKAPKYIL-UFYCRDLUSA-N 1 1 353.466 2.012 50 0 FEAAMO C[N@@H+](CC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)Cc1ccccc1 ZINC000218996661 548691850 /nfs/dbraw/zinc/69/18/50/548691850.db2.gz IYTJVADKAPKYIL-UFYCRDLUSA-N 1 1 353.466 2.012 50 0 FEAAMO CN(C)c1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000219517967 548695039 /nfs/dbraw/zinc/69/50/39/548695039.db2.gz AESAINABAWZRDW-LJQANCHMSA-N 1 1 352.482 2.471 50 0 FEAAMO CN(C)c1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000219517967 548695044 /nfs/dbraw/zinc/69/50/44/548695044.db2.gz AESAINABAWZRDW-LJQANCHMSA-N 1 1 352.482 2.471 50 0 FEAAMO O=S(=O)(c1cccnc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689844 548741953 /nfs/dbraw/zinc/74/19/53/548741953.db2.gz DOTYMKNHYLJDSQ-UHFFFAOYSA-N 1 1 363.508 2.355 50 0 FEAAMO COc1ccc(NC(=O)C[NH+]2CCC3(COC(=O)O3)CC2)cc1Cl ZINC000244718912 548893839 /nfs/dbraw/zinc/89/38/39/548893839.db2.gz LTFOBBOUGVHFSW-UHFFFAOYSA-N 1 1 354.790 2.289 50 0 FEAAMO O=C(CC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000252483271 549667491 /nfs/dbraw/zinc/66/74/91/549667491.db2.gz DYELWBXLPJHGRF-IRXDYDNUSA-N 1 1 369.868 2.339 50 0 FEAAMO O=C(CC[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000252483271 549667494 /nfs/dbraw/zinc/66/74/94/549667494.db2.gz DYELWBXLPJHGRF-IRXDYDNUSA-N 1 1 369.868 2.339 50 0 FEAAMO C[N@H+]1CCN2CCN(C(=O)c3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000252502185 549671334 /nfs/dbraw/zinc/67/13/34/549671334.db2.gz UNEQXGSGDFBXJW-IBGZPJMESA-N 1 1 365.477 2.337 50 0 FEAAMO CC(C)C[N@H+]1CC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)CC3)C1 ZINC000257184156 549713604 /nfs/dbraw/zinc/71/36/04/549713604.db2.gz IGJUVWMGQVKWRF-GOSISDBHSA-N 1 1 367.497 2.422 50 0 FEAAMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000261911382 549768352 /nfs/dbraw/zinc/76/83/52/549768352.db2.gz HQAWFOUTWJHKGG-KXBFYZLASA-N 1 1 354.406 2.008 50 0 FEAAMO COc1cccc(OC)c1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000331285690 554241970 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O=C(CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O)NC1CC1 ZINC000426503222 559736012 /nfs/dbraw/zinc/73/60/12/559736012.db2.gz DZJSNYLYAGFKIG-OAQYLSRUSA-N 1 1 373.472 2.309 50 0 FEAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 ZINC000426508183 559736284 /nfs/dbraw/zinc/73/62/84/559736284.db2.gz ZYGGAONEQSCLJS-KRWDZBQOSA-N 1 1 361.486 2.126 50 0 FEAAMO CNc1cc(C)nc(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)n1 ZINC000426545206 559737414 /nfs/dbraw/zinc/73/74/14/559737414.db2.gz UJPGTYCVFDEWSY-QGZVFWFLSA-N 1 1 353.470 2.130 50 0 FEAAMO CC(C)c1noc(C2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2)n1 ZINC000426549875 559737673 /nfs/dbraw/zinc/73/76/73/559737673.db2.gz DIPQOZYVLJOUBR-CYBMUJFWSA-N 1 1 358.446 2.453 50 0 FEAAMO CCn1cncc1CNC(=O)Nc1ccc(C)c(NC(=O)C[NH+](C)C)c1 ZINC000426646993 559739649 /nfs/dbraw/zinc/73/96/49/559739649.db2.gz GKHWFSJJYBSPJJ-UHFFFAOYSA-N 1 1 358.446 2.033 50 0 FEAAMO Cc1ccc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)c(N)[nH+]1 ZINC000426684582 559740308 /nfs/dbraw/zinc/74/03/08/559740308.db2.gz WTXLRDLWSQRDGN-UHFFFAOYSA-N 1 1 354.454 2.091 50 0 FEAAMO C[N@H+](CCNc1cc([C@H]2CCOC2)ncn1)Cc1nc2c(s1)CCCC2 ZINC000426690001 559740359 /nfs/dbraw/zinc/74/03/59/559740359.db2.gz XMURXZJSKBWQRZ-AWEZNQCLSA-N 1 1 373.526 2.860 50 0 FEAAMO C[N@@H+](CCNc1cc([C@H]2CCOC2)ncn1)Cc1nc2c(s1)CCCC2 ZINC000426690001 559740360 /nfs/dbraw/zinc/74/03/60/559740360.db2.gz XMURXZJSKBWQRZ-AWEZNQCLSA-N 1 1 373.526 2.860 50 0 FEAAMO CCN(C)C(=O)c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC000534580296 562537258 /nfs/dbraw/zinc/53/72/58/562537258.db2.gz FFQCLLOCJBPKCS-UHFFFAOYSA-N 1 1 366.465 2.228 50 0 FEAAMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000048309514 570943349 /nfs/dbraw/zinc/94/33/49/570943349.db2.gz IVNFNWNQSKEXEH-CYBMUJFWSA-N 1 1 369.450 2.002 50 0 FEAAMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000048309514 570943352 /nfs/dbraw/zinc/94/33/52/570943352.db2.gz IVNFNWNQSKEXEH-CYBMUJFWSA-N 1 1 369.450 2.002 50 0 FEAAMO CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000426394479 571219144 /nfs/dbraw/zinc/21/91/44/571219144.db2.gz DTMZQRBUUKCEDJ-FQEVSTJZSA-N 1 1 358.530 2.288 50 0 FEAAMO CNC(=O)c1ccc(OC)c(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426431410 571224747 /nfs/dbraw/zinc/22/47/47/571224747.db2.gz UWGUGRSZHUSGQR-ZDUSSCGKSA-N 1 1 360.458 2.145 50 0 FEAAMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](CO)C2)c(C)cc1Cl ZINC000670464615 571358353 /nfs/dbraw/zinc/35/83/53/571358353.db2.gz MKDQIYVPHQQQGN-OAHLLOKOSA-N 1 1 374.934 2.330 50 0 FEAAMO CC[N@@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H]1CCOC(C)(C)C1 ZINC000810043227 674526876 /nfs/dbraw/zinc/52/68/76/674526876.db2.gz QVHIHXSDOMDMNY-INIZCTEOSA-N 1 1 371.547 2.324 50 0 FEAAMO CCOC(=O)N1CCC([N@H+]2CC[C@@]3(C2)CCCN(CCOC)C3)CC1 ZINC000055226915 670347853 /nfs/dbraw/zinc/34/78/53/670347853.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 1 1 353.507 2.042 50 0 FEAAMO Cc1ccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)o1 ZINC000093393361 670752992 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/nfs/dbraw/zinc/50/48/04/539504804.db2.gz HAQOSDGHXJMYBG-HNNXBMFYSA-N 1 1 350.484 2.462 50 0 FEAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1 ZINC000011843115 539536185 /nfs/dbraw/zinc/53/61/85/539536185.db2.gz UAUVZGWRDMVSPZ-LJQANCHMSA-N 1 1 353.466 2.347 50 0 FEAAMO O[C@@H]1CCC[N@H+](C2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)C1 ZINC000011873203 539537059 /nfs/dbraw/zinc/53/70/59/539537059.db2.gz FGWNHMUVOHIJQK-QGZVFWFLSA-N 1 1 374.460 2.221 50 0 FEAAMO Cn1cccc1[C@@H](CNS(=O)(=O)c1cccc(F)c1)[NH+]1CCCC1 ZINC000011846912 539537767 /nfs/dbraw/zinc/53/77/67/539537767.db2.gz QEKNXEHXBHWSNU-QGZVFWFLSA-N 1 1 351.447 2.280 50 0 FEAAMO CCCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000012591347 539566940 /nfs/dbraw/zinc/56/69/40/539566940.db2.gz JOAZFEBTFDOCKB-LJQANCHMSA-N 1 1 373.545 2.218 50 0 FEAAMO CCCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000012591347 539566942 /nfs/dbraw/zinc/56/69/42/539566942.db2.gz JOAZFEBTFDOCKB-LJQANCHMSA-N 1 1 373.545 2.218 50 0 FEAAMO 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Cc1cc(F)ccc1CC(=O)N1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000072148139 541788969 /nfs/dbraw/zinc/78/89/69/541788969.db2.gz VENYMESVGOJCLH-GOSISDBHSA-N 1 1 373.403 2.255 50 0 FEAAMO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072423479 541809695 /nfs/dbraw/zinc/80/96/95/541809695.db2.gz WOGIRUJXDPODMN-QGZVFWFLSA-N 1 1 359.380 2.023 50 0 FEAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000072432682 541813390 /nfs/dbraw/zinc/81/33/90/541813390.db2.gz ABPGPPFTVDTHLV-AWEZNQCLSA-N 1 1 352.862 2.167 50 0 FEAAMO C[N@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000072463898 541817650 /nfs/dbraw/zinc/81/76/50/541817650.db2.gz CHHWJXLKTQNWJO-GOSISDBHSA-N 1 1 373.476 2.393 50 0 FEAAMO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)CC1 ZINC000072463898 541817653 /nfs/dbraw/zinc/81/76/53/541817653.db2.gz CHHWJXLKTQNWJO-GOSISDBHSA-N 1 1 373.476 2.393 50 0 FEAAMO C[N@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)CC1 ZINC000072463898 541817656 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COc1ccccc1C[NH+]1CCN(c2cc(C3CC(O)C3)nc(C)n2)CC1 ZINC000220622176 132275969 /nfs/dbraw/zinc/27/59/69/132275969.db2.gz SFPTVBXNBWSSTA-UHFFFAOYSA-N 1 1 368.481 2.354 50 0 FEAAMO CCc1ccccc1NC(=O)CCN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000244690841 132290362 /nfs/dbraw/zinc/29/03/62/132290362.db2.gz IXYCLTMYSXGPQC-UHFFFAOYSA-N 1 1 368.485 2.080 50 0 FEAAMO C[NH+](C)[C@H](C(=O)NC1CCN(c2cnccn2)CC1)c1cccc(F)c1 ZINC000299785953 132299793 /nfs/dbraw/zinc/29/97/93/132299793.db2.gz LCXZOUDVOGFIQS-SFHVURJKSA-N 1 1 357.433 2.004 50 0 FEAAMO CNc1nc([C@@H]2CCOC2)cc(N2CCC(Cn3cc[nH+]c3C)CC2)n1 ZINC000299800839 132300587 /nfs/dbraw/zinc/30/05/87/132300587.db2.gz JAMPUMMQUWAKNM-MRXNPFEDSA-N 1 1 356.474 2.444 50 0 FEAAMO Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)on1 ZINC000091365228 542805587 /nfs/dbraw/zinc/80/55/87/542805587.db2.gz WJHUZPHKEAMYTD-UHFFFAOYSA-N 1 1 357.458 2.352 50 0 FEAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCN(CCOC)C2=O ZINC000091350685 542805725 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CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010544210 539518846 /nfs/dbraw/zinc/51/88/46/539518846.db2.gz FSHFUNHMMDENCO-OAHLLOKOSA-N 1 1 368.499 2.391 50 0 FEAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000011698824 539532706 /nfs/dbraw/zinc/53/27/06/539532706.db2.gz REJOKDMUKVEQLC-HNNXBMFYSA-N 1 1 372.469 2.079 50 0 FEAAMO CN(C(=O)c1coc(COc2cccc(F)c2F)n1)[C@H]1CC[N@@H+](C)C1 ZINC000011761641 539534896 /nfs/dbraw/zinc/53/48/96/539534896.db2.gz XUGOUPIZHKFIDA-NSHDSACASA-N 1 1 351.353 2.308 50 0 FEAAMO Cc1ccoc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011754150 539535243 /nfs/dbraw/zinc/53/52/43/539535243.db2.gz WAJMLXILNQWIKU-HNNXBMFYSA-N 1 1 359.470 2.183 50 0 FEAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCC(CCO)CC2)nc1 ZINC000011841079 539535835 /nfs/dbraw/zinc/53/58/35/539535835.db2.gz KDVZLMOLQYPSDK-IBGZPJMESA-N 1 1 374.529 2.285 50 0 FEAAMO COc1ccc(CCCN2C(=O)O[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]32)cc1 ZINC000011934531 539539793 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