smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)NC(=O)Nc1ccccc1 ZINC000010095821 1079450107 /nfs/dbraw/zinc/45/01/07/1079450107.db2.gz PTHDPUTYSKMBBN-UHFFFAOYSA-N 1 1 403.483 0.201 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000010095954 1079450199 /nfs/dbraw/zinc/45/01/99/1079450199.db2.gz MUBQOUGFNWDRMT-UHFFFAOYSA-N 1 1 404.467 0.220 20 0 HCADMO Cn1c2ncn(CCC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000010163961 1079450719 /nfs/dbraw/zinc/45/07/19/1079450719.db2.gz ROYBXXWTAVNGMT-UHFFFAOYSA-N 1 1 424.505 0.558 20 0 HCADMO C[N@@H+](CCO)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000011483811 1079459233 /nfs/dbraw/zinc/45/92/33/1079459233.db2.gz OZSAKKBFMKZQDA-UHFFFAOYSA-N 1 1 402.417 0.712 20 0 HCADMO C[N@H+](CCO)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000011483811 1079459230 /nfs/dbraw/zinc/45/92/30/1079459230.db2.gz OZSAKKBFMKZQDA-UHFFFAOYSA-N 1 1 402.417 0.712 20 0 HCADMO CC(C)CN(C(=O)C[N@@H+](C)C[C@@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000011596611 1079461799 /nfs/dbraw/zinc/46/17/99/1079461799.db2.gz SFJYBZAWDAAJNE-HNNXBMFYSA-N 1 1 409.531 0.875 20 0 HCADMO CC(C)CN(C(=O)C[N@H+](C)C[C@@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000011596611 1079461794 /nfs/dbraw/zinc/46/17/94/1079461794.db2.gz SFJYBZAWDAAJNE-HNNXBMFYSA-N 1 1 409.531 0.875 20 0 HCADMO CC(C)CN(C(=O)C[N@@H+](C)C[C@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000011596614 1079461957 /nfs/dbraw/zinc/46/19/57/1079461957.db2.gz SFJYBZAWDAAJNE-OAHLLOKOSA-N 1 1 409.531 0.875 20 0 HCADMO CC(C)CN(C(=O)C[N@H+](C)C[C@H]1CCCO1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000011596614 1079461948 /nfs/dbraw/zinc/46/19/48/1079461948.db2.gz SFJYBZAWDAAJNE-OAHLLOKOSA-N 1 1 409.531 0.875 20 0 HCADMO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000012331567 1079463255 /nfs/dbraw/zinc/46/32/55/1079463255.db2.gz CFXRARHZTDTWRY-UHFFFAOYSA-N 1 1 417.554 0.537 20 0 HCADMO CNC(=O)c1ccc(C[N@H+](C)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 ZINC000012331567 1079463248 /nfs/dbraw/zinc/46/32/48/1079463248.db2.gz CFXRARHZTDTWRY-UHFFFAOYSA-N 1 1 417.554 0.537 20 0 HCADMO CCCCN(C(=O)C[NH+]1CCC(C(=O)NC)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000012334411 1079463818 /nfs/dbraw/zinc/46/38/18/1079463818.db2.gz UEKHSYHCJXVGJG-UHFFFAOYSA-N 1 1 422.530 0.120 20 0 HCADMO CN1C(=O)c2ccc(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)cc2C1=O ZINC000012986920 1079464993 /nfs/dbraw/zinc/46/49/93/1079464993.db2.gz CNRFVFCTSYCQHC-UHFFFAOYSA-N 1 1 408.462 0.645 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153080 1079465107 /nfs/dbraw/zinc/46/51/07/1079465107.db2.gz QEGPUEYOKQMLOU-LBPRGKRZSA-N 1 1 418.416 0.439 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)C1 ZINC000014153082 1079465033 /nfs/dbraw/zinc/46/50/33/1079465033.db2.gz QEGPUEYOKQMLOU-GFCCVEGCSA-N 1 1 418.416 0.439 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000014334095 1079465419 /nfs/dbraw/zinc/46/54/19/1079465419.db2.gz TXUQYWHAJGQHLM-QGZVFWFLSA-N 1 1 402.495 0.898 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000014334095 1079465403 /nfs/dbraw/zinc/46/54/03/1079465403.db2.gz TXUQYWHAJGQHLM-QGZVFWFLSA-N 1 1 402.495 0.898 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000014334096 1079465618 /nfs/dbraw/zinc/46/56/18/1079465618.db2.gz TXUQYWHAJGQHLM-KRWDZBQOSA-N 1 1 402.495 0.898 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000014334096 1079465600 /nfs/dbraw/zinc/46/56/00/1079465600.db2.gz TXUQYWHAJGQHLM-KRWDZBQOSA-N 1 1 402.495 0.898 20 0 HCADMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915478 1079466791 /nfs/dbraw/zinc/46/67/91/1079466791.db2.gz SJQJKECQYPQNDE-GOEBONIOSA-N 1 1 411.524 0.656 20 0 HCADMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000014915479 1079466677 /nfs/dbraw/zinc/46/66/77/1079466677.db2.gz SJQJKECQYPQNDE-HOCLYGCPSA-N 1 1 411.524 0.656 20 0 HCADMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015024968 1079467429 /nfs/dbraw/zinc/46/74/29/1079467429.db2.gz SZMBSWDXAOYHEL-AWEZNQCLSA-N 1 1 411.524 0.656 20 0 HCADMO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015024970 1079467369 /nfs/dbraw/zinc/46/73/69/1079467369.db2.gz SZMBSWDXAOYHEL-CQSZACIVSA-N 1 1 411.524 0.656 20 0 HCADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038726 1079469124 /nfs/dbraw/zinc/46/91/24/1079469124.db2.gz AXUJNHQSQGTDCV-CQSZACIVSA-N 1 1 415.494 0.206 20 0 HCADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038726 1079469123 /nfs/dbraw/zinc/46/91/23/1079469123.db2.gz AXUJNHQSQGTDCV-CQSZACIVSA-N 1 1 415.494 0.206 20 0 HCADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038729 1079469040 /nfs/dbraw/zinc/46/90/40/1079469040.db2.gz AXUJNHQSQGTDCV-AWEZNQCLSA-N 1 1 415.494 0.206 20 0 HCADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038729 1079469034 /nfs/dbraw/zinc/46/90/34/1079469034.db2.gz AXUJNHQSQGTDCV-AWEZNQCLSA-N 1 1 415.494 0.206 20 0 HCADMO CN(C)C(=O)C1CC[NH+](CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000015297596 1079469120 /nfs/dbraw/zinc/46/91/20/1079469120.db2.gz BLJGGXHWENQYKP-UHFFFAOYSA-N 1 1 402.539 0.935 20 0 HCADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365704 1079470720 /nfs/dbraw/zinc/47/07/20/1079470720.db2.gz LBNBGEYHQYATTK-GOEBONIOSA-N 1 1 404.492 0.389 20 0 HCADMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000015365705 1079470753 /nfs/dbraw/zinc/47/07/53/1079470753.db2.gz LBNBGEYHQYATTK-HOCLYGCPSA-N 1 1 404.492 0.389 20 0 HCADMO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1ccc2c(c1)OCO2 ZINC000015369966 1079470801 /nfs/dbraw/zinc/47/08/01/1079470801.db2.gz ZBTOYPQENPQCOZ-UHFFFAOYSA-N 1 1 404.511 0.906 20 0 HCADMO C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1ccc2c(c1)OCO2 ZINC000015369966 1079470796 /nfs/dbraw/zinc/47/07/96/1079470796.db2.gz ZBTOYPQENPQCOZ-UHFFFAOYSA-N 1 1 404.511 0.906 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)c(=O)[nH]c1=O ZINC000015402221 1079471892 /nfs/dbraw/zinc/47/18/92/1079471892.db2.gz TUDWXQCVRXVBEW-CQSZACIVSA-N 1 1 423.514 0.547 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c(=O)[nH]c1=O ZINC000015402221 1079471883 /nfs/dbraw/zinc/47/18/83/1079471883.db2.gz TUDWXQCVRXVBEW-CQSZACIVSA-N 1 1 423.514 0.547 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)c(=O)[nH]c1=O ZINC000015402223 1079471749 /nfs/dbraw/zinc/47/17/49/1079471749.db2.gz TUDWXQCVRXVBEW-AWEZNQCLSA-N 1 1 423.514 0.547 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)c(=O)[nH]c1=O ZINC000015402223 1079471743 /nfs/dbraw/zinc/47/17/43/1079471743.db2.gz TUDWXQCVRXVBEW-AWEZNQCLSA-N 1 1 423.514 0.547 20 0 HCADMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@@H](CO)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000015403990 1079471952 /nfs/dbraw/zinc/47/19/52/1079471952.db2.gz BBTWTBSRUBZQAX-OAHLLOKOSA-N 1 1 421.542 0.899 20 0 HCADMO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000015403990 1079471946 /nfs/dbraw/zinc/47/19/46/1079471946.db2.gz BBTWTBSRUBZQAX-OAHLLOKOSA-N 1 1 421.542 0.899 20 0 HCADMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCC[C@H](CO)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000015403992 1079471706 /nfs/dbraw/zinc/47/17/06/1079471706.db2.gz BBTWTBSRUBZQAX-HNNXBMFYSA-N 1 1 421.542 0.899 20 0 HCADMO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@H](CO)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000015403992 1079471701 /nfs/dbraw/zinc/47/17/01/1079471701.db2.gz BBTWTBSRUBZQAX-HNNXBMFYSA-N 1 1 421.542 0.899 20 0 HCADMO COC(=O)C1CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000015413023 1079471808 /nfs/dbraw/zinc/47/18/08/1079471808.db2.gz XWYYJPOOAGTHHQ-UHFFFAOYSA-N 1 1 420.485 0.793 20 0 HCADMO CCCCn1c(N)c(N(C(=O)C[NH+]2CCC(O)CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000015482608 1079472405 /nfs/dbraw/zinc/47/24/05/1079472405.db2.gz RZNHCPMZLLJEEB-UHFFFAOYSA-N 1 1 407.515 0.651 20 0 HCADMO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](CC(=O)NCc3ccco3)CC2)cc1 ZINC000015523094 1079473457 /nfs/dbraw/zinc/47/34/57/1079473457.db2.gz OCLBZYVLWWMMMC-UHFFFAOYSA-N 1 1 420.491 0.894 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 ZINC000016233415 1079476414 /nfs/dbraw/zinc/47/64/14/1079476414.db2.gz CCZUYIPVYNSQLK-UHFFFAOYSA-N 1 1 424.505 0.477 20 0 HCADMO Cn1c2ncn(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261392 1079476466 /nfs/dbraw/zinc/47/64/66/1079476466.db2.gz HGDRNVISUMLSON-MRXNPFEDSA-N 1 1 410.478 0.215 20 0 HCADMO Cn1c2ncn(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000016261393 1079476758 /nfs/dbraw/zinc/47/67/58/1079476758.db2.gz HGDRNVISUMLSON-INIZCTEOSA-N 1 1 410.478 0.215 20 0 HCADMO CCN(C(=O)C[N@H+]1CCC[C@@H](CO)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016484172 1079478581 /nfs/dbraw/zinc/47/85/81/1079478581.db2.gz YRMYXNCECVLBFG-MRXNPFEDSA-N 1 1 415.494 0.224 20 0 HCADMO CCN(C(=O)C[N@@H+]1CCC[C@@H](CO)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016484172 1079478574 /nfs/dbraw/zinc/47/85/74/1079478574.db2.gz YRMYXNCECVLBFG-MRXNPFEDSA-N 1 1 415.494 0.224 20 0 HCADMO CCN(C(=O)C[N@H+]1CCC[C@H](CO)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016484173 1079478387 /nfs/dbraw/zinc/47/83/87/1079478387.db2.gz YRMYXNCECVLBFG-INIZCTEOSA-N 1 1 415.494 0.224 20 0 HCADMO CCN(C(=O)C[N@@H+]1CCC[C@H](CO)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016484173 1079478379 /nfs/dbraw/zinc/47/83/79/1079478379.db2.gz YRMYXNCECVLBFG-INIZCTEOSA-N 1 1 415.494 0.224 20 0 HCADMO COCCN(C(=O)C[N@@H+](C)Cc1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016586798 1079480887 /nfs/dbraw/zinc/48/08/87/1079480887.db2.gz JCXGWPMMWJLQMK-UHFFFAOYSA-N 1 1 423.539 0.948 20 0 HCADMO COCCN(C(=O)C[N@H+](C)Cc1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016586798 1079480877 /nfs/dbraw/zinc/48/08/77/1079480877.db2.gz JCXGWPMMWJLQMK-UHFFFAOYSA-N 1 1 423.539 0.948 20 0 HCADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016969426 1079482930 /nfs/dbraw/zinc/48/29/30/1079482930.db2.gz BYHJJTLYQBDVRX-UHFFFAOYSA-N 1 1 407.268 0.644 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]c1=O ZINC000017306100 1079484412 /nfs/dbraw/zinc/48/44/12/1079484412.db2.gz HZVCZHUQFZGCGV-ZDUSSCGKSA-N 1 1 411.466 0.985 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]c1=O ZINC000017306100 1079484406 /nfs/dbraw/zinc/48/44/06/1079484406.db2.gz HZVCZHUQFZGCGV-ZDUSSCGKSA-N 1 1 411.466 0.985 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c(=O)[nH]c1=O ZINC000017306101 1079484249 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1 1 418.885 0.854 20 0 HCADMO Cn1c2ncn(CCC(=O)N3CC[NH+](CCc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000024622629 1079518130 /nfs/dbraw/zinc/51/81/30/1079518130.db2.gz MLRMTXUGCSHRDK-UHFFFAOYSA-N 1 1 424.505 0.211 20 0 HCADMO CC[N@@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000024671106 1079518922 /nfs/dbraw/zinc/51/89/22/1079518922.db2.gz ZLJBLARABGLLPA-UHFFFAOYSA-N 1 1 405.904 0.614 20 0 HCADMO CC[N@H+](CCO)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000024671106 1079518914 /nfs/dbraw/zinc/51/89/14/1079518914.db2.gz ZLJBLARABGLLPA-UHFFFAOYSA-N 1 1 405.904 0.614 20 0 HCADMO CC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000024671451 1079518943 /nfs/dbraw/zinc/51/89/43/1079518943.db2.gz LIQAKKRAZYJESK-UHFFFAOYSA-N 1 1 405.520 0.987 20 0 HCADMO CC[N@@H+](CCO)CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024671670 1079518898 /nfs/dbraw/zinc/51/88/98/1079518898.db2.gz GOGFMGAYCQVAOZ-UHFFFAOYSA-N 1 1 417.510 0.470 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000024793753 1079525623 /nfs/dbraw/zinc/52/56/23/1079525623.db2.gz HBKHYCZAXGNRSN-UHFFFAOYSA-N 1 1 419.489 0.965 20 0 HCADMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000024798920 1079525496 /nfs/dbraw/zinc/52/54/96/1079525496.db2.gz HGAFIXIBJFJFKQ-LBPRGKRZSA-N 1 1 404.467 0.695 20 0 HCADMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000024798920 1079525483 /nfs/dbraw/zinc/52/54/83/1079525483.db2.gz HGAFIXIBJFJFKQ-LBPRGKRZSA-N 1 1 404.467 0.695 20 0 HCADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000024798926 1079525754 /nfs/dbraw/zinc/52/57/54/1079525754.db2.gz HGAFIXIBJFJFKQ-GFCCVEGCSA-N 1 1 404.467 0.695 20 0 HCADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC ZINC000024798926 1079525742 /nfs/dbraw/zinc/52/57/42/1079525742.db2.gz HGAFIXIBJFJFKQ-GFCCVEGCSA-N 1 1 404.467 0.695 20 0 HCADMO COc1cc(C)c(C[N@@H+](C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000024802444 1079525836 /nfs/dbraw/zinc/52/58/36/1079525836.db2.gz ACSHGECZSQAAJO-UHFFFAOYSA-N 1 1 401.467 0.891 20 0 HCADMO O=C(CCNS(=O)(=O)c1cccnc1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000024928810 1079529547 /nfs/dbraw/zinc/52/95/47/1079529547.db2.gz PZCYHPABTRFTPC-UHFFFAOYSA-N 1 1 417.535 0.688 20 0 HCADMO COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025030689 1079532751 /nfs/dbraw/zinc/53/27/51/1079532751.db2.gz KYUZDFPTXLDUKT-DAYGRLMNSA-N 1 1 403.479 0.800 20 0 HCADMO COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025030689 1079532726 /nfs/dbraw/zinc/53/27/26/1079532726.db2.gz KYUZDFPTXLDUKT-DAYGRLMNSA-N 1 1 403.479 0.800 20 0 HCADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025030694 1079532609 /nfs/dbraw/zinc/53/26/09/1079532609.db2.gz KYUZDFPTXLDUKT-RVKKMQEKSA-N 1 1 403.479 0.800 20 0 HCADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025030694 1079532591 /nfs/dbraw/zinc/53/25/91/1079532591.db2.gz KYUZDFPTXLDUKT-RVKKMQEKSA-N 1 1 403.479 0.800 20 0 HCADMO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000025030704 1079532834 /nfs/dbraw/zinc/53/28/34/1079532834.db2.gz KYUZDFPTXLDUKT-RLFYNMQTSA-N 1 1 403.479 0.800 20 0 HCADMO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000025052728 1079565317 /nfs/dbraw/zinc/56/53/17/1079565317.db2.gz HRHNYIWMQLFEOY-MRXNPFEDSA-N 1 1 422.551 0.509 20 0 HCADMO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000025052733 1079565765 /nfs/dbraw/zinc/56/57/65/1079565765.db2.gz HRHNYIWMQLFEOY-INIZCTEOSA-N 1 1 422.551 0.509 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000025227576 1079568824 /nfs/dbraw/zinc/56/88/24/1079568824.db2.gz RTMMAWXYGYGWDV-UHFFFAOYSA-N 1 1 410.540 0.657 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000025227602 1079568797 /nfs/dbraw/zinc/56/87/97/1079568797.db2.gz GVSNTRCDJYHKFC-UHFFFAOYSA-N 1 1 408.524 0.411 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 ZINC000025228194 1079568896 /nfs/dbraw/zinc/56/88/96/1079568896.db2.gz LFUFRUJBHAOLQV-GOSISDBHSA-N 1 1 412.490 0.947 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 ZINC000025228200 1079569241 /nfs/dbraw/zinc/56/92/41/1079569241.db2.gz LFUFRUJBHAOLQV-SFHVURJKSA-N 1 1 412.490 0.947 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000025228284 1078009886 /nfs/dbraw/zinc/00/98/86/1078009886.db2.gz YEJLSYPQZPEUEQ-UHFFFAOYSA-N 1 1 416.931 0.287 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000025228340 1079569730 /nfs/dbraw/zinc/56/97/30/1079569730.db2.gz TXLCPVZTDVIXIJ-FGTMMUONSA-N 1 1 418.538 0.679 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000025228345 1079569392 /nfs/dbraw/zinc/56/93/92/1079569392.db2.gz TXLCPVZTDVIXIJ-KSZLIROESA-N 1 1 418.538 0.679 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000025228878 1078010025 /nfs/dbraw/zinc/01/00/25/1078010025.db2.gz CTZGIYCDUXKDHP-UHFFFAOYSA-N 1 1 416.931 0.531 20 0 HCADMO CCOc1ccccc1N1C[C@@H](C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1=O ZINC000025229115 1079569679 /nfs/dbraw/zinc/56/96/79/1079569679.db2.gz RWRILQCMVAOLSH-HNNXBMFYSA-N 1 1 402.495 0.765 20 0 HCADMO CCOc1ccccc1N1C[C@H](C(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1=O ZINC000025229120 1079569743 /nfs/dbraw/zinc/56/97/43/1079569743.db2.gz RWRILQCMVAOLSH-OAHLLOKOSA-N 1 1 402.495 0.765 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000025229492 1079569313 /nfs/dbraw/zinc/56/93/13/1079569313.db2.gz IGZPHAKOIQOESW-LHSJRXKWSA-N 1 1 421.542 0.450 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000025229498 1079569345 /nfs/dbraw/zinc/56/93/45/1079569345.db2.gz IGZPHAKOIQOESW-QKKBWIMNSA-N 1 1 421.542 0.450 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000025229503 1079569722 /nfs/dbraw/zinc/56/97/22/1079569722.db2.gz IGZPHAKOIQOESW-SPLOXXLWSA-N 1 1 421.542 0.450 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000025229508 1079569427 /nfs/dbraw/zinc/56/94/27/1079569427.db2.gz IGZPHAKOIQOESW-SZNDQCEHSA-N 1 1 421.542 0.450 20 0 HCADMO CCn1c(SCC(=O)NC2CC[NH+](CC(=O)NC)CC2)nnc1-c1ccco1 ZINC000025229722 1079569563 /nfs/dbraw/zinc/56/95/63/1079569563.db2.gz SURLMXXLXBQTAT-UHFFFAOYSA-N 1 1 406.512 0.977 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1 ZINC000025229744 1079569462 /nfs/dbraw/zinc/56/94/62/1079569462.db2.gz RDOHBVROOIOVSD-UHFFFAOYSA-N 1 1 410.540 0.656 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000025230143 1079569488 /nfs/dbraw/zinc/56/94/88/1079569488.db2.gz NCFHKHZPDDIMRH-UHFFFAOYSA-N 1 1 424.567 0.966 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000025230235 1079569519 /nfs/dbraw/zinc/56/95/19/1079569519.db2.gz STRVBJGMSKXSJS-UHFFFAOYSA-N 1 1 410.540 0.704 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000025230251 1078009964 /nfs/dbraw/zinc/00/99/64/1078009964.db2.gz LZWYYNUWEPEHMD-UHFFFAOYSA-N 1 1 416.931 0.531 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1 ZINC000025230256 1078009916 /nfs/dbraw/zinc/00/99/16/1078009916.db2.gz UNEPKQRWGMWZHN-UHFFFAOYSA-N 1 1 402.904 0.188 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000025230654 1079569598 /nfs/dbraw/zinc/56/95/98/1079569598.db2.gz GRTBDFKKHOWALO-UHFFFAOYSA-N 1 1 410.540 0.494 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000025230860 1079569652 /nfs/dbraw/zinc/56/96/52/1079569652.db2.gz QEZOUICKNWWPSX-UHFFFAOYSA-N 1 1 408.524 0.339 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000025230879 1079569704 /nfs/dbraw/zinc/56/97/04/1079569704.db2.gz NOGYCLASLODAIK-UHFFFAOYSA-N 1 1 424.523 0.076 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 ZINC000025231102 1079569282 /nfs/dbraw/zinc/56/92/82/1079569282.db2.gz DJVXYAQANZGDNB-ZDUSSCGKSA-N 1 1 408.524 0.337 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 ZINC000025231107 1079569713 /nfs/dbraw/zinc/56/97/13/1079569713.db2.gz DJVXYAQANZGDNB-CYBMUJFWSA-N 1 1 408.524 0.337 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1 ZINC000025231189 1079569620 /nfs/dbraw/zinc/56/96/20/1079569620.db2.gz NZRTZKTWQWNPSM-FQEVSTJZSA-N 1 1 404.511 0.533 20 0 HCADMO CCOc1ccccc1C(=O)NCCCC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000025232117 1079570262 /nfs/dbraw/zinc/57/02/62/1079570262.db2.gz BONKJMCYILSCIW-UHFFFAOYSA-N 1 1 404.511 0.922 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000025232195 1079570425 /nfs/dbraw/zinc/57/04/25/1079570425.db2.gz LOMHWLPGBQCYSV-UHFFFAOYSA-N 1 1 416.503 0.675 20 0 HCADMO CCCn1c2ccccc2n(CCC(=O)NC2CC[NH+](CC(=O)NC)CC2)c1=O ZINC000025232655 1079570545 /nfs/dbraw/zinc/57/05/45/1079570545.db2.gz REFPWJYVUWLDOA-UHFFFAOYSA-N 1 1 401.511 0.930 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000025232892 1079570496 /nfs/dbraw/zinc/57/04/96/1079570496.db2.gz HZMZWAYDWSJUKF-QGZVFWFLSA-N 1 1 400.483 0.074 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000025232898 1079570458 /nfs/dbraw/zinc/57/04/58/1079570458.db2.gz HZMZWAYDWSJUKF-KRWDZBQOSA-N 1 1 400.483 0.074 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000025233148 1078010156 /nfs/dbraw/zinc/01/01/56/1078010156.db2.gz DCKKNQGVHKQCQY-NRFANRHFSA-N 1 1 415.494 0.089 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000025233153 1078010195 /nfs/dbraw/zinc/01/01/95/1078010195.db2.gz DCKKNQGVHKQCQY-OAQYLSRUSA-N 1 1 415.494 0.089 20 0 HCADMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000025233274 1079570166 /nfs/dbraw/zinc/57/01/66/1079570166.db2.gz WEYBDFYRBDXPBE-CQSZACIVSA-N 1 1 421.461 0.142 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 ZINC000025233351 1079570336 /nfs/dbraw/zinc/57/03/36/1079570336.db2.gz LMVGEPKASODSPM-UHFFFAOYSA-N 1 1 412.874 0.153 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 ZINC000025233453 1079570194 /nfs/dbraw/zinc/57/01/94/1079570194.db2.gz NNQBROSMRJYMDI-UHFFFAOYSA-N 1 1 410.540 0.656 20 0 HCADMO CCOc1ccc(-n2ncc(C(=O)NC3CC[NH+](CC(=O)NC)CC3)c2C)nn1 ZINC000025233770 1079570382 /nfs/dbraw/zinc/57/03/82/1079570382.db2.gz RXWBNHJJTWZEFD-UHFFFAOYSA-N 1 1 401.471 0.310 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000025233775 1079570225 /nfs/dbraw/zinc/57/02/25/1079570225.db2.gz BVBCHOBUZBPNGU-UHFFFAOYSA-N 1 1 405.524 0.792 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000025234120 1079570476 /nfs/dbraw/zinc/57/04/76/1079570476.db2.gz NFIQEUHDNAMAQR-IBGZPJMESA-N 1 1 403.527 0.837 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 ZINC000025234125 1079570067 /nfs/dbraw/zinc/57/00/67/1079570067.db2.gz NFIQEUHDNAMAQR-LJQANCHMSA-N 1 1 403.527 0.837 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000025234270 1079570022 /nfs/dbraw/zinc/57/00/22/1079570022.db2.gz SUTVFUBYHPBSFU-UHFFFAOYSA-N 1 1 414.553 0.473 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000025234754 1079570134 /nfs/dbraw/zinc/57/01/34/1079570134.db2.gz WVCOTZYVNDACTI-UHFFFAOYSA-N 1 1 410.540 0.251 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)CC1 ZINC000025234921 1078010138 /nfs/dbraw/zinc/01/01/38/1078010138.db2.gz 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COc1ccccc1[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[NH+](C)C ZINC000032695584 1079727084 /nfs/dbraw/zinc/72/70/84/1079727084.db2.gz LTWVZSYVIPSIQS-MRXNPFEDSA-N 1 1 411.462 0.674 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[NH+](C)C ZINC000032695585 1079727337 /nfs/dbraw/zinc/72/73/37/1079727337.db2.gz LTWVZSYVIPSIQS-INIZCTEOSA-N 1 1 411.462 0.674 20 0 HCADMO C[C@@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000032726141 1079731073 /nfs/dbraw/zinc/73/10/73/1079731073.db2.gz MOUFSHRWVZVHFK-INIZCTEOSA-N 1 1 409.494 0.457 20 0 HCADMO C[C@H](CNC(=O)Cn1cnc2c(cnn2C)c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000032726143 1079730791 /nfs/dbraw/zinc/73/07/91/1079730791.db2.gz MOUFSHRWVZVHFK-MRXNPFEDSA-N 1 1 409.494 0.457 20 0 HCADMO C[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032726531 1079730833 /nfs/dbraw/zinc/73/08/33/1079730833.db2.gz WAXXXYBGRJMYTI-KRWDZBQOSA-N 1 1 408.568 0.985 20 0 HCADMO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@H+]1CCCC[C@H]1C ZINC000032737252 1079731154 /nfs/dbraw/zinc/73/11/54/1079731154.db2.gz NHHNPWGDWCTBHX-CVEARBPZSA-N 1 1 422.551 0.800 20 0 HCADMO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@H+]1CCCC[C@@H]1C ZINC000032737253 1079730917 /nfs/dbraw/zinc/73/09/17/1079730917.db2.gz NHHNPWGDWCTBHX-HOTGVXAUSA-N 1 1 422.551 0.800 20 0 HCADMO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[N@H+]1CCCC[C@H]1C ZINC000032737728 1079730727 /nfs/dbraw/zinc/73/07/27/1079730727.db2.gz UDGOLKBZRCCWCE-CVEARBPZSA-N 1 1 422.551 0.800 20 0 HCADMO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000032737729 1079731014 /nfs/dbraw/zinc/73/10/14/1079731014.db2.gz UDGOLKBZRCCWCE-HOTGVXAUSA-N 1 1 422.551 0.800 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000032763629 1079730870 /nfs/dbraw/zinc/73/08/70/1079730870.db2.gz VLHZHCQKIUQLLW-SFHVURJKSA-N 1 1 424.567 0.955 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC000032763630 1079730933 /nfs/dbraw/zinc/73/09/33/1079730933.db2.gz VLHZHCQKIUQLLW-GOSISDBHSA-N 1 1 424.567 0.955 20 0 HCADMO O=C(CN1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1)N1CCOCC1 ZINC000032771697 1079731829 /nfs/dbraw/zinc/73/18/29/1079731829.db2.gz IUKDNPOIKUAQKF-RBBKRZOGSA-N 1 1 417.550 0.918 20 0 HCADMO O=C(CN1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1)N1CCOCC1 ZINC000032771699 1079731696 /nfs/dbraw/zinc/73/16/96/1079731696.db2.gz IUKDNPOIKUAQKF-IRLDBZIGSA-N 1 1 417.550 0.918 20 0 HCADMO O=C(CN1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1)N1CCOCC1 ZINC000032771702 1079731513 /nfs/dbraw/zinc/73/15/13/1079731513.db2.gz IUKDNPOIKUAQKF-UNMCSNQZSA-N 1 1 417.550 0.918 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000032774756 1079731759 /nfs/dbraw/zinc/73/17/59/1079731759.db2.gz YSBSIUDXVWJXDU-INIZCTEOSA-N 1 1 402.451 0.834 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000032774757 1079731582 /nfs/dbraw/zinc/73/15/82/1079731582.db2.gz YSBSIUDXVWJXDU-MRXNPFEDSA-N 1 1 402.451 0.834 20 0 HCADMO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032916754 1079732835 /nfs/dbraw/zinc/73/28/35/1079732835.db2.gz VBVQUBWZSWNBBH-RTBURBONSA-N 1 1 419.547 0.409 20 0 HCADMO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032916757 1079732696 /nfs/dbraw/zinc/73/26/96/1079732696.db2.gz VBVQUBWZSWNBBH-RBUKOAKNSA-N 1 1 419.547 0.409 20 0 HCADMO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032916760 1079732965 /nfs/dbraw/zinc/73/29/65/1079732965.db2.gz VBVQUBWZSWNBBH-MOPGFXCFSA-N 1 1 419.547 0.409 20 0 HCADMO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032916762 1079732669 /nfs/dbraw/zinc/73/26/69/1079732669.db2.gz VBVQUBWZSWNBBH-OALUTQOASA-N 1 1 419.547 0.409 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cnc21 ZINC000032926917 1079733382 /nfs/dbraw/zinc/73/33/82/1079733382.db2.gz VKPATYBKYOLAAT-OKILXGFUSA-N 1 1 403.483 0.724 20 0 HCADMO Cc1cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000032976749 1079734853 /nfs/dbraw/zinc/73/48/53/1079734853.db2.gz TZWNIESLUCZWOF-UHFFFAOYSA-N 1 1 410.482 0.714 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032976756 1079735107 /nfs/dbraw/zinc/73/51/07/1079735107.db2.gz YRBXIPKUNCPJME-UHFFFAOYSA-N 1 1 424.552 0.145 20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000033136041 1079737548 /nfs/dbraw/zinc/73/75/48/1079737548.db2.gz XYVMWTRKFIDUOX-LJQANCHMSA-N 1 1 408.506 0.991 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000033136041 1079737540 /nfs/dbraw/zinc/73/75/40/1079737540.db2.gz XYVMWTRKFIDUOX-LJQANCHMSA-N 1 1 408.506 0.991 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000033136041 1079737531 /nfs/dbraw/zinc/73/75/31/1079737531.db2.gz XYVMWTRKFIDUOX-LJQANCHMSA-N 1 1 408.506 0.991 20 0 HCADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000034199712 1079739567 /nfs/dbraw/zinc/73/95/67/1079739567.db2.gz VFINMZOFBGDYRM-UHFFFAOYSA-N 1 1 403.932 0.987 20 0 HCADMO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1Cl ZINC000038224334 1078122747 /nfs/dbraw/zinc/12/27/47/1078122747.db2.gz UWTATWGQSWHPCF-INIZCTEOSA-N 1 1 408.930 0.994 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000041171917 1079743075 /nfs/dbraw/zinc/74/30/75/1079743075.db2.gz WHWFUMCMQLHWCN-UHFFFAOYSA-N 1 1 410.540 0.880 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000041172378 1079743227 /nfs/dbraw/zinc/74/32/27/1079743227.db2.gz ILVBTJGCJCWNOE-UHFFFAOYSA-N 1 1 411.528 0.124 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041221619 1079743924 /nfs/dbraw/zinc/74/39/24/1079743924.db2.gz FNDUJGDKWBMYPO-OKILXGFUSA-N 1 1 415.498 0.913 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041221619 1079743902 /nfs/dbraw/zinc/74/39/02/1079743902.db2.gz FNDUJGDKWBMYPO-OKILXGFUSA-N 1 1 415.498 0.913 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000041221620 1079743581 /nfs/dbraw/zinc/74/35/81/1079743581.db2.gz FNDUJGDKWBMYPO-ZIAGYGMSSA-N 1 1 415.498 0.913 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000041221621 1079743827 /nfs/dbraw/zinc/74/38/27/1079743827.db2.gz FNDUJGDKWBMYPO-KBPBESRZSA-N 1 1 415.498 0.913 20 0 HCADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041275406 1079745481 /nfs/dbraw/zinc/74/54/81/1079745481.db2.gz VRTUZUSSRYCEIW-OKILXGFUSA-N 1 1 412.512 0.149 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000041275520 1079746203 /nfs/dbraw/zinc/74/62/03/1079746203.db2.gz OKSHYTXKQNBZBP-GASCZTMLSA-N 1 1 407.467 0.792 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000041275999 1079746273 /nfs/dbraw/zinc/74/62/73/1079746273.db2.gz OOWCLYFCUJIZRW-IYBDPMFKSA-N 1 1 404.511 0.871 20 0 HCADMO O=C(CN1C(=O)NC2(CCCC2)C1=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041328956 1079747224 /nfs/dbraw/zinc/74/72/24/1079747224.db2.gz KYVFURXJBJHNCR-UHFFFAOYSA-N 1 1 417.485 0.929 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000041330460 1079747325 /nfs/dbraw/zinc/74/73/25/1079747325.db2.gz URFZULFFXBCTMJ-GOSISDBHSA-N 1 1 419.526 0.980 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000041330463 1079747134 /nfs/dbraw/zinc/74/71/34/1079747134.db2.gz URFZULFFXBCTMJ-SFHVURJKSA-N 1 1 419.526 0.980 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1)[NH+]1CCN(C)CC1 ZINC000041330949 1079747175 /nfs/dbraw/zinc/74/71/75/1079747175.db2.gz RQEHVJILUKLZOD-LJQANCHMSA-N 1 1 415.538 0.906 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1)[NH+]1CCN(C)CC1 ZINC000041330952 1079746970 /nfs/dbraw/zinc/74/69/70/1079746970.db2.gz RQEHVJILUKLZOD-IBGZPJMESA-N 1 1 415.538 0.906 20 0 HCADMO CC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000041384451 1079747787 /nfs/dbraw/zinc/74/77/87/1079747787.db2.gz IJNNAUXAOJVVIQ-UHFFFAOYSA-N 1 1 410.478 0.946 20 0 HCADMO COc1cc(F)ccc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000041384533 1079748000 /nfs/dbraw/zinc/74/80/00/1079748000.db2.gz XVFSHUFBXWEEPX-UHFFFAOYSA-N 1 1 416.457 0.891 20 0 HCADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000041606463 1079751318 /nfs/dbraw/zinc/75/13/18/1079751318.db2.gz MGOSAVWHCJFNBP-UHFFFAOYSA-N 1 1 416.503 0.708 20 0 HCADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000041606463 1079751302 /nfs/dbraw/zinc/75/13/02/1079751302.db2.gz MGOSAVWHCJFNBP-UHFFFAOYSA-N 1 1 416.503 0.708 20 0 HCADMO COc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC ZINC000041625196 1079751465 /nfs/dbraw/zinc/75/14/65/1079751465.db2.gz MOFRPPQAMMQGGT-MRXNPFEDSA-N 1 1 413.540 0.624 20 0 HCADMO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC ZINC000041625196 1079751455 /nfs/dbraw/zinc/75/14/55/1079751455.db2.gz MOFRPPQAMMQGGT-MRXNPFEDSA-N 1 1 413.540 0.624 20 0 HCADMO COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC ZINC000041625198 1079751419 /nfs/dbraw/zinc/75/14/19/1079751419.db2.gz MOFRPPQAMMQGGT-INIZCTEOSA-N 1 1 413.540 0.624 20 0 HCADMO COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC ZINC000041625198 1079751403 /nfs/dbraw/zinc/75/14/03/1079751403.db2.gz MOFRPPQAMMQGGT-INIZCTEOSA-N 1 1 413.540 0.624 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000041625667 1079752308 /nfs/dbraw/zinc/75/23/08/1079752308.db2.gz RHQQOPZCLTVEGT-INIZCTEOSA-N 1 1 412.531 0.736 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000041625667 1079752292 /nfs/dbraw/zinc/75/22/92/1079752292.db2.gz RHQQOPZCLTVEGT-INIZCTEOSA-N 1 1 412.531 0.736 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000041625669 1079752569 /nfs/dbraw/zinc/75/25/69/1079752569.db2.gz RHQQOPZCLTVEGT-MRXNPFEDSA-N 1 1 412.531 0.736 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000041625669 1079752553 /nfs/dbraw/zinc/75/25/53/1079752553.db2.gz RHQQOPZCLTVEGT-MRXNPFEDSA-N 1 1 412.531 0.736 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000041625687 1079752525 /nfs/dbraw/zinc/75/25/25/1079752525.db2.gz GTBXVQGTZIBKRF-KRWDZBQOSA-N 1 1 410.540 0.152 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000041625687 1079752513 /nfs/dbraw/zinc/75/25/13/1079752513.db2.gz GTBXVQGTZIBKRF-KRWDZBQOSA-N 1 1 410.540 0.152 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000041625689 1079752334 /nfs/dbraw/zinc/75/23/34/1079752334.db2.gz GTBXVQGTZIBKRF-QGZVFWFLSA-N 1 1 410.540 0.152 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000041625689 1079752325 /nfs/dbraw/zinc/75/23/25/1079752325.db2.gz GTBXVQGTZIBKRF-QGZVFWFLSA-N 1 1 410.540 0.152 20 0 HCADMO CC1(C)NC(=O)N(CCC[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)C1=O ZINC000041626161 1079752193 /nfs/dbraw/zinc/75/21/93/1079752193.db2.gz QCROKMIANMRIIT-UHFFFAOYSA-N 1 1 401.511 0.641 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000041626227 1079752244 /nfs/dbraw/zinc/75/22/44/1079752244.db2.gz PMCRAFBCUJBDBT-KRWDZBQOSA-N 1 1 409.556 0.382 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000041626230 1079752439 /nfs/dbraw/zinc/75/24/39/1079752439.db2.gz PMCRAFBCUJBDBT-QGZVFWFLSA-N 1 1 409.556 0.382 20 0 HCADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000041642508 1079753338 /nfs/dbraw/zinc/75/33/38/1079753338.db2.gz JSPQHJSRWVPLPF-GOSISDBHSA-N 1 1 411.458 0.932 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000041642565 1079753559 /nfs/dbraw/zinc/75/35/59/1079753559.db2.gz BEJROEONQDUENP-LJQANCHMSA-N 1 1 411.458 0.947 20 0 HCADMO NC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000041642672 1079753604 /nfs/dbraw/zinc/75/36/04/1079753604.db2.gz CADUTFINBUCGTP-LJQANCHMSA-N 1 1 410.474 0.188 20 0 HCADMO COC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000041642683 1079753286 /nfs/dbraw/zinc/75/32/86/1079753286.db2.gz KQCZHFHTFOAAHY-LJQANCHMSA-N 1 1 411.458 0.947 20 0 HCADMO CNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000041642693 1079753163 /nfs/dbraw/zinc/75/31/63/1079753163.db2.gz YJGMOPBHBGOGOV-LJQANCHMSA-N 1 1 410.474 0.520 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000041642713 1079752964 /nfs/dbraw/zinc/75/29/64/1079752964.db2.gz PEOWPAJNTUPPKN-LJQANCHMSA-N 1 1 410.474 0.520 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccsc1 ZINC000041649320 1079753392 /nfs/dbraw/zinc/75/33/92/1079753392.db2.gz XSDHHKZUVHDEKB-HNNXBMFYSA-N 1 1 417.491 0.321 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)c1ccsc1 ZINC000041649325 1079753265 /nfs/dbraw/zinc/75/32/65/1079753265.db2.gz XSDHHKZUVHDEKB-OAHLLOKOSA-N 1 1 417.491 0.321 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000041653561 1080019702 /nfs/dbraw/zinc/01/97/02/1080019702.db2.gz IQZMJNJPFSDUGW-KGLIPLIRSA-N 1 1 403.483 0.077 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[N@H+]1CCC[C@H](C)C1 ZINC000041653567 1080019932 /nfs/dbraw/zinc/01/99/32/1080019932.db2.gz IQZMJNJPFSDUGW-KBPBESRZSA-N 1 1 403.483 0.077 20 0 HCADMO COc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OCC(N)=O ZINC000041653700 1080020410 /nfs/dbraw/zinc/02/04/10/1080020410.db2.gz RMQMZMAGZDRTGR-KGLIPLIRSA-N 1 1 406.483 0.734 20 0 HCADMO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000041662549 1079754547 /nfs/dbraw/zinc/75/45/47/1079754547.db2.gz UCVSCSLELBCWIS-OAHLLOKOSA-N 1 1 418.494 0.909 20 0 HCADMO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000041662556 1079754302 /nfs/dbraw/zinc/75/43/02/1079754302.db2.gz UCVSCSLELBCWIS-HNNXBMFYSA-N 1 1 418.494 0.909 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669454 1080020205 /nfs/dbraw/zinc/02/02/05/1080020205.db2.gz DJSVQKYRRZPCPA-MRXNPFEDSA-N 1 1 402.495 0.946 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 ZINC000041669460 1080020467 /nfs/dbraw/zinc/02/04/67/1080020467.db2.gz DJSVQKYRRZPCPA-INIZCTEOSA-N 1 1 402.495 0.946 20 0 HCADMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000041716997 1079754376 /nfs/dbraw/zinc/75/43/76/1079754376.db2.gz XGSBSRBQSFLYDR-UHFFFAOYSA-N 1 1 404.511 0.873 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000041719587 1079754612 /nfs/dbraw/zinc/75/46/12/1079754612.db2.gz QQMAZNOPNRIWMK-UHFFFAOYSA-N 1 1 410.540 0.563 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000041719695 1079754903 /nfs/dbraw/zinc/75/49/03/1079754903.db2.gz REDLCTCADBWLTE-UHFFFAOYSA-N 1 1 400.487 0.053 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000041719915 1079755055 /nfs/dbraw/zinc/75/50/55/1079755055.db2.gz KMXOKZIOECHOSH-UHFFFAOYSA-N 1 1 408.499 0.795 20 0 HCADMO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCC[NH+]2CCN(CC)CC2)c1 ZINC000041720578 1079754959 /nfs/dbraw/zinc/75/49/59/1079754959.db2.gz GWRDPVRKRQOGAD-UHFFFAOYSA-N 1 1 403.527 0.827 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000041720635 1079755301 /nfs/dbraw/zinc/75/53/01/1079755301.db2.gz WBVMXRFNGRATFH-UHFFFAOYSA-N 1 1 403.527 0.779 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000041721078 1079755092 /nfs/dbraw/zinc/75/50/92/1079755092.db2.gz YASCXNGFYBAFOC-UHFFFAOYSA-N 1 1 401.511 0.896 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000041721118 1079755227 /nfs/dbraw/zinc/75/52/27/1079755227.db2.gz ZFRVYQQJBUGZTD-UHFFFAOYSA-N 1 1 401.511 0.661 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000041721157 1079755147 /nfs/dbraw/zinc/75/51/47/1079755147.db2.gz JIMIDMHLKHPUGA-UHFFFAOYSA-N 1 1 401.511 0.896 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000041786928 1079756491 /nfs/dbraw/zinc/75/64/91/1079756491.db2.gz QERQVJLUOLRGPL-HNNXBMFYSA-N 1 1 417.510 0.611 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041788894 1079756850 /nfs/dbraw/zinc/75/68/50/1079756850.db2.gz JIQYRWIVFFMDOK-OAHLLOKOSA-N 1 1 417.510 0.469 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000041788897 1079756700 /nfs/dbraw/zinc/75/67/00/1079756700.db2.gz JIQYRWIVFFMDOK-HNNXBMFYSA-N 1 1 417.510 0.469 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)c1 ZINC000041790285 1079756755 /nfs/dbraw/zinc/75/67/55/1079756755.db2.gz JYQVJDIJQLYUQC-UHFFFAOYSA-N 1 1 403.527 0.909 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 ZINC000041825134 1079757398 /nfs/dbraw/zinc/75/73/98/1079757398.db2.gz VBRROKFBMMGEQJ-UHFFFAOYSA-N 1 1 417.510 0.097 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000041825413 1079757442 /nfs/dbraw/zinc/75/74/42/1079757442.db2.gz LOQIEESXQBYMHQ-UHFFFAOYSA-N 1 1 415.263 0.853 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(OC)ccc2OC(F)F)CC1 ZINC000041825552 1079757334 /nfs/dbraw/zinc/75/73/34/1079757334.db2.gz SGIZMWFGUURBKH-UHFFFAOYSA-N 1 1 414.409 0.562 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)CC1 ZINC000041825643 1079757515 /nfs/dbraw/zinc/75/75/15/1079757515.db2.gz DIHJFVRHUGIFEX-UHFFFAOYSA-N 1 1 415.494 0.609 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000041825661 1079757639 /nfs/dbraw/zinc/75/76/39/1079757639.db2.gz DKUHLAMZSKLZKY-UHFFFAOYSA-N 1 1 416.478 0.993 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000041825687 1079757282 /nfs/dbraw/zinc/75/72/82/1079757282.db2.gz SOGVYPJDRWVHQS-UHFFFAOYSA-N 1 1 416.400 0.893 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000041825747 1079758212 /nfs/dbraw/zinc/75/82/12/1079758212.db2.gz POFSQXZUSPVUAI-UHFFFAOYSA-N 1 1 402.373 0.850 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000041825772 1079758276 /nfs/dbraw/zinc/75/82/76/1079758276.db2.gz DZMGENGPHMGEQS-UHFFFAOYSA-N 1 1 404.467 0.503 20 0 HCADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000041893232 1079759607 /nfs/dbraw/zinc/75/96/07/1079759607.db2.gz SKNLIBXIJYFARM-ZDUSSCGKSA-N 1 1 406.508 0.666 20 0 HCADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000041893236 1079759395 /nfs/dbraw/zinc/75/93/95/1079759395.db2.gz SKNLIBXIJYFARM-CYBMUJFWSA-N 1 1 406.508 0.666 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000041922967 1079759778 /nfs/dbraw/zinc/75/97/78/1079759778.db2.gz WUXUZQCHFOUFIE-UHFFFAOYSA-N 1 1 412.512 0.250 20 0 HCADMO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042055857 1079761438 /nfs/dbraw/zinc/76/14/38/1079761438.db2.gz ASNFBPYBVCTVED-QZTJIDSGSA-N 1 1 400.479 0.841 20 0 HCADMO O=C(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042055859 1079761726 /nfs/dbraw/zinc/76/17/26/1079761726.db2.gz ASNFBPYBVCTVED-ZWKOTPCHSA-N 1 1 400.479 0.841 20 0 HCADMO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042056176 1079761645 /nfs/dbraw/zinc/76/16/45/1079761645.db2.gz LRHPTPNVNHQXTF-QZTJIDSGSA-N 1 1 400.479 0.841 20 0 HCADMO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042056178 1079761521 /nfs/dbraw/zinc/76/15/21/1079761521.db2.gz LRHPTPNVNHQXTF-ZWKOTPCHSA-N 1 1 400.479 0.841 20 0 HCADMO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042057011 1079762306 /nfs/dbraw/zinc/76/23/06/1079762306.db2.gz YJNOSRQTPKFUHN-IAGOWNOFSA-N 1 1 406.508 0.809 20 0 HCADMO O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000042057014 1079762605 /nfs/dbraw/zinc/76/26/05/1079762605.db2.gz YJNOSRQTPKFUHN-DLBZAZTESA-N 1 1 406.508 0.809 20 0 HCADMO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000042134392 1079763784 /nfs/dbraw/zinc/76/37/84/1079763784.db2.gz XMKLEJOLMLUYIR-AWEZNQCLSA-N 1 1 403.545 0.580 20 0 HCADMO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000042134393 1079764020 /nfs/dbraw/zinc/76/40/20/1079764020.db2.gz XMKLEJOLMLUYIR-CQSZACIVSA-N 1 1 403.545 0.580 20 0 HCADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172117 1079764902 /nfs/dbraw/zinc/76/49/02/1079764902.db2.gz CTNGSROGPNKPNF-GOEBONIOSA-N 1 1 410.478 0.385 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172120 1079765079 /nfs/dbraw/zinc/76/50/79/1079765079.db2.gz CTNGSROGPNKPNF-GDBMZVCRSA-N 1 1 410.478 0.385 20 0 HCADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172123 1079765256 /nfs/dbraw/zinc/76/52/56/1079765256.db2.gz CTNGSROGPNKPNF-HOCLYGCPSA-N 1 1 410.478 0.385 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000042172126 1079764751 /nfs/dbraw/zinc/76/47/51/1079764751.db2.gz CTNGSROGPNKPNF-ZBFHGGJFSA-N 1 1 410.478 0.385 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000042343131 1079766488 /nfs/dbraw/zinc/76/64/88/1079766488.db2.gz VQYIPTNACCKPDX-UHFFFAOYSA-N 1 1 405.499 0.738 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000042343270 1079766413 /nfs/dbraw/zinc/76/64/13/1079766413.db2.gz WOAZKGGTUZDSJT-UHFFFAOYSA-N 1 1 405.547 0.837 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000042343419 1079766657 /nfs/dbraw/zinc/76/66/57/1079766657.db2.gz 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CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054887329 1078020664 /nfs/dbraw/zinc/02/06/64/1078020664.db2.gz DMBMJSPEQBYQAW-GOSISDBHSA-N 1 1 416.522 0.875 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000054887374 1078020542 /nfs/dbraw/zinc/02/05/42/1078020542.db2.gz XKTMEEHMGDGAMD-KRWDZBQOSA-N 1 1 402.495 0.946 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 ZINC000054887374 1078020534 /nfs/dbraw/zinc/02/05/34/1078020534.db2.gz XKTMEEHMGDGAMD-KRWDZBQOSA-N 1 1 402.495 0.946 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000054887375 1078020626 /nfs/dbraw/zinc/02/06/26/1078020626.db2.gz XKTMEEHMGDGAMD-QGZVFWFLSA-N 1 1 402.495 0.946 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 ZINC000054887375 1078020618 /nfs/dbraw/zinc/02/06/18/1078020618.db2.gz XKTMEEHMGDGAMD-QGZVFWFLSA-N 1 1 402.495 0.946 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)CC1 ZINC000054942415 1078021915 /nfs/dbraw/zinc/02/19/15/1078021915.db2.gz SBPRVSWIYSJPLW-UHFFFAOYSA-N 1 1 418.494 0.845 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000054942511 1078021988 /nfs/dbraw/zinc/02/19/88/1078021988.db2.gz MYHBWNCPOONZCL-UHFFFAOYSA-N 1 1 402.495 0.581 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 ZINC000054942521 1078022049 /nfs/dbraw/zinc/02/20/49/1078022049.db2.gz MBHAXWCZEVCJOW-UHFFFAOYSA-N 1 1 412.512 0.438 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000054942589 1078022084 /nfs/dbraw/zinc/02/20/84/1078022084.db2.gz NTGZRVKTZPLMQG-UHFFFAOYSA-N 1 1 404.467 0.011 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000054942731 1078022018 /nfs/dbraw/zinc/02/20/18/1078022018.db2.gz JDIAWAQUBQRNFC-UHFFFAOYSA-N 1 1 408.524 0.964 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000054942912 1078022193 /nfs/dbraw/zinc/02/21/93/1078022193.db2.gz UEQQOHCCMNGYHP-UHFFFAOYSA-N 1 1 417.510 0.450 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 ZINC000054942927 1078022142 /nfs/dbraw/zinc/02/21/42/1078022142.db2.gz QIBRITMEAXIPQV-UHFFFAOYSA-N 1 1 404.467 0.472 20 0 HCADMO CCCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000054943026 1078022313 /nfs/dbraw/zinc/02/23/13/1078022313.db2.gz VZKVGMRHQLGGJA-UHFFFAOYSA-N 1 1 415.538 0.496 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 ZINC000054943047 1078022178 /nfs/dbraw/zinc/02/21/78/1078022178.db2.gz YRUKVOICUMSNMD-UHFFFAOYSA-N 1 1 412.487 0.858 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 ZINC000054943074 1078022272 /nfs/dbraw/zinc/02/22/72/1078022272.db2.gz XXEAYSQYLOVLFG-UHFFFAOYSA-N 1 1 402.495 0.960 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)CC1 ZINC000054943156 1078022336 /nfs/dbraw/zinc/02/23/36/1078022336.db2.gz ASZDHAJPLNJBDM-OAHLLOKOSA-N 1 1 413.482 0.971 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)CC1 ZINC000054943159 1078022207 /nfs/dbraw/zinc/02/22/07/1078022207.db2.gz ASZDHAJPLNJBDM-HNNXBMFYSA-N 1 1 413.482 0.971 20 0 HCADMO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC)CC2)c2ccccc2O1 ZINC000054943344 1078022162 /nfs/dbraw/zinc/02/21/62/1078022162.db2.gz DHCCCFRLMFJXPK-SFHVURJKSA-N 1 1 402.495 0.861 20 0 HCADMO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCC)CC2)c2ccccc2O1 ZINC000054943346 1078022300 /nfs/dbraw/zinc/02/23/00/1078022300.db2.gz DHCCCFRLMFJXPK-GOSISDBHSA-N 1 1 402.495 0.861 20 0 HCADMO O=C(CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000054984138 1078021051 /nfs/dbraw/zinc/02/10/51/1078021051.db2.gz MVIMHKGAPBRSEK-IBGZPJMESA-N 1 1 415.538 0.691 20 0 HCADMO O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000054984140 1078021014 /nfs/dbraw/zinc/02/10/14/1078021014.db2.gz MVIMHKGAPBRSEK-LJQANCHMSA-N 1 1 415.538 0.691 20 0 HCADMO COCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1 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PQNBJJAHLLKEPC-AEFFLSMTSA-N 1 1 409.527 0.747 20 0 HCADMO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000054994301 1078021656 /nfs/dbraw/zinc/02/16/56/1078021656.db2.gz PQNBJJAHLLKEPC-WMZOPIPTSA-N 1 1 409.527 0.747 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054994372 1078021673 /nfs/dbraw/zinc/02/16/73/1078021673.db2.gz MLYUWZQYDMVMAR-ZWKOTPCHSA-N 1 1 406.479 0.784 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000054994373 1078021857 /nfs/dbraw/zinc/02/18/57/1078021857.db2.gz MLYUWZQYDMVMAR-ROUUACIJSA-N 1 1 406.479 0.784 20 0 HCADMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994416 1078021810 /nfs/dbraw/zinc/02/18/10/1078021810.db2.gz ZBZPIYRYBJGOSE-NRFANRHFSA-N 1 1 414.550 0.902 20 0 HCADMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000054994417 1078021683 /nfs/dbraw/zinc/02/16/83/1078021683.db2.gz ZBZPIYRYBJGOSE-OAQYLSRUSA-N 1 1 414.550 0.902 20 0 HCADMO CN(CC(=O)NCCC[NH+]1CCN(C)CC1)C(=O)c1ccc(Br)o1 ZINC000055046095 1078023107 /nfs/dbraw/zinc/02/31/07/1078023107.db2.gz MERPETLXEFXZER-UHFFFAOYSA-N 1 1 401.305 0.868 20 0 HCADMO C[N@@H+](CCc1ccc(F)cc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000055059475 1080201093 /nfs/dbraw/zinc/20/10/93/1080201093.db2.gz KKFSFACTQCMTOQ-UHFFFAOYSA-N 1 1 406.502 0.303 20 0 HCADMO COCCn1c(N)c(C(=O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c(=O)[nH]c1=O ZINC000055103371 1078022606 /nfs/dbraw/zinc/02/26/06/1078022606.db2.gz FVRMZGNETRRIQV-UHFFFAOYSA-N 1 1 402.451 0.533 20 0 HCADMO COc1ccccc1N1C(=O)C[C@@H](N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000055141700 1078023340 /nfs/dbraw/zinc/02/33/40/1078023340.db2.gz ZRSCSPQHFBTROI-GOSISDBHSA-N 1 1 414.506 0.813 20 0 HCADMO CN1CCN(C(=O)C2CC[NH+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)CC1 ZINC000055141749 1078023256 /nfs/dbraw/zinc/02/32/56/1078023256.db2.gz OGZNYKNBFMYOJG-FQEVSTJZSA-N 1 1 412.534 0.843 20 0 HCADMO COc1ccc(CCN2C(=O)C[C@H]([NH+]3CCC(N4CCNC4=O)CC3)C2=O)cc1 ZINC000055148317 1078023545 /nfs/dbraw/zinc/02/35/45/1078023545.db2.gz AWTBDMOTSFLWGA-SFHVURJKSA-N 1 1 400.479 0.855 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC000055306958 1080201176 /nfs/dbraw/zinc/20/11/76/1080201176.db2.gz KMZJKKWTIJHLJH-UHFFFAOYSA-N 1 1 415.288 0.441 20 0 HCADMO CCCS(=O)(=O)CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000055315957 1078025613 /nfs/dbraw/zinc/02/56/13/1078025613.db2.gz QPHSTXNCRCRPOP-UHFFFAOYSA-N 1 1 411.524 0.788 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000055327670 1080201150 /nfs/dbraw/zinc/20/11/50/1080201150.db2.gz XSGBHXZYKRZZQG-IBGZPJMESA-N 1 1 409.490 0.675 20 0 HCADMO COCCn1cc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1=O ZINC000055382996 1080201578 /nfs/dbraw/zinc/20/15/78/1080201578.db2.gz XNOGBWGXQUQRFC-UHFFFAOYSA-N 1 1 412.490 0.812 20 0 HCADMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000055592556 1080210902 /nfs/dbraw/zinc/21/09/02/1080210902.db2.gz USZUEHBQCLZUNB-SFHVURJKSA-N 1 1 410.496 0.514 20 0 HCADMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000055592557 1080211037 /nfs/dbraw/zinc/21/10/37/1080211037.db2.gz USZUEHBQCLZUNB-GOSISDBHSA-N 1 1 410.496 0.514 20 0 HCADMO NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000055629650 1078030181 /nfs/dbraw/zinc/03/01/81/1078030181.db2.gz APLIVGFEUCTNQG-UHFFFAOYSA-N 1 1 410.521 0.672 20 0 HCADMO O=c1[nH]c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccncc4)CC3)cc2[nH]c1=O ZINC000055634101 1080212924 /nfs/dbraw/zinc/21/29/24/1080212924.db2.gz KQEHRNIGXXCHLQ-UHFFFAOYSA-N 1 1 415.475 0.554 20 0 HCADMO NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000055634105 1078030317 /nfs/dbraw/zinc/03/03/17/1078030317.db2.gz UBMFPVARBIYALU-UHFFFAOYSA-N 1 1 410.521 0.672 20 0 HCADMO NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000055635272 1080213183 /nfs/dbraw/zinc/21/31/83/1080213183.db2.gz GRLBNPVCUYSRAJ-UHFFFAOYSA-N 1 1 410.521 0.672 20 0 HCADMO Cn1cc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(=O)n(C)c1=O ZINC000055638944 1078030407 /nfs/dbraw/zinc/03/04/07/1078030407.db2.gz IDSQOMZZCQGEEP-UHFFFAOYSA-N 1 1 410.471 0.166 20 0 HCADMO Cn1c(=O)c2cc(C(=O)N3CC[NH+](CCc4cccs4)CC3)cnc2n(C)c1=O ZINC000055643613 1078030628 /nfs/dbraw/zinc/03/06/28/1078030628.db2.gz XKJWRYPFGCRTPN-UHFFFAOYSA-N 1 1 413.503 0.694 20 0 HCADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000055749522 1078032191 /nfs/dbraw/zinc/03/21/91/1078032191.db2.gz FFXAKPAUPLQFQM-QLFBSQMISA-N 1 1 404.515 0.306 20 0 HCADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000055757658 1078032088 /nfs/dbraw/zinc/03/20/88/1078032088.db2.gz SDPZUOHCBSHOTR-GRYCIOLGSA-N 1 1 401.305 0.782 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)CN2CSCC2=O)c1 ZINC000055772605 1080215915 /nfs/dbraw/zinc/21/59/15/1080215915.db2.gz WWPYZBPRWBNFGN-UHFFFAOYSA-N 1 1 406.508 0.497 20 0 HCADMO CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000055772753 1078032694 /nfs/dbraw/zinc/03/26/94/1078032694.db2.gz WESQLQHGMORKBY-LJQANCHMSA-N 1 1 402.495 0.975 20 0 HCADMO CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000055772754 1078032738 /nfs/dbraw/zinc/03/27/38/1078032738.db2.gz WESQLQHGMORKBY-IBGZPJMESA-N 1 1 402.495 0.975 20 0 HCADMO CN1CC[C@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1=O ZINC000055772793 1080215889 /nfs/dbraw/zinc/21/58/89/1080215889.db2.gz MJBIVANBWVYJDY-KRWDZBQOSA-N 1 1 402.495 0.832 20 0 HCADMO CN1CC[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1=O ZINC000055772794 1080215854 /nfs/dbraw/zinc/21/58/54/1080215854.db2.gz MJBIVANBWVYJDY-QGZVFWFLSA-N 1 1 402.495 0.832 20 0 HCADMO CCN1C[C@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1=O ZINC000055772799 1080215902 /nfs/dbraw/zinc/21/59/02/1080215902.db2.gz SKMHTWDHSOFOJR-QGZVFWFLSA-N 1 1 402.495 0.832 20 0 HCADMO CCN1C[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1=O ZINC000055772800 1080215930 /nfs/dbraw/zinc/21/59/30/1080215930.db2.gz SKMHTWDHSOFOJR-KRWDZBQOSA-N 1 1 402.495 0.832 20 0 HCADMO O=C(CCN1C(=O)CCC1=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000055772880 1078032707 /nfs/dbraw/zinc/03/27/07/1078032707.db2.gz NGKQFJWWSAIFND-UHFFFAOYSA-N 1 1 416.478 0.503 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000055772881 1078032808 /nfs/dbraw/zinc/03/28/08/1078032808.db2.gz UTYGWCJDAJKNHZ-MRXNPFEDSA-N 1 1 409.508 0.398 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000055772882 1078032843 /nfs/dbraw/zinc/03/28/43/1078032843.db2.gz UTYGWCJDAJKNHZ-INIZCTEOSA-N 1 1 409.508 0.398 20 0 HCADMO CC(C)S(=O)(=O)CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000055772934 1080215769 /nfs/dbraw/zinc/21/57/69/1080215769.db2.gz OQTLJWSPUKICIL-UHFFFAOYSA-N 1 1 411.524 0.787 20 0 HCADMO COC(=O)COc1cccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000055878799 1080223826 /nfs/dbraw/zinc/22/38/26/1080223826.db2.gz FHFYTMOPHFSBAE-UHFFFAOYSA-N 1 1 413.478 0.971 20 0 HCADMO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)N1CCc2sccc2C1 ZINC000055899498 1078033467 /nfs/dbraw/zinc/03/34/67/1078033467.db2.gz OVSJYPRDTMTBJC-UHFFFAOYSA-N 1 1 406.552 0.499 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)N1CCc2sccc2C1 ZINC000055900731 1080224318 /nfs/dbraw/zinc/22/43/18/1080224318.db2.gz BDOJQFOEDBIGCM-UHFFFAOYSA-N 1 1 406.552 0.499 20 0 HCADMO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000055908436 1080224735 /nfs/dbraw/zinc/22/47/35/1080224735.db2.gz OEIGIEGNYZZQLU-OAHLLOKOSA-N 1 1 404.442 0.794 20 0 HCADMO COCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000055908437 1080225223 /nfs/dbraw/zinc/22/52/23/1080225223.db2.gz OEIGIEGNYZZQLU-HNNXBMFYSA-N 1 1 404.442 0.794 20 0 HCADMO CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000056027688 1078035246 /nfs/dbraw/zinc/03/52/46/1078035246.db2.gz ZOFGYYMRYXFZPF-MRXNPFEDSA-N 1 1 407.540 0.732 20 0 HCADMO CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000056027689 1078035366 /nfs/dbraw/zinc/03/53/66/1078035366.db2.gz ZOFGYYMRYXFZPF-INIZCTEOSA-N 1 1 407.540 0.732 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3nc4ccccn4c3=O)cc2)CC1 ZINC000056027948 1078035231 /nfs/dbraw/zinc/03/52/31/1078035231.db2.gz CLQHRCFZXCZHAG-UHFFFAOYSA-N 1 1 408.462 0.451 20 0 HCADMO COCCN1C[C@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1=O ZINC000056027954 1078035298 /nfs/dbraw/zinc/03/52/98/1078035298.db2.gz PTRYTMVBSVFMHB-QGZVFWFLSA-N 1 1 402.495 0.437 20 0 HCADMO COCCN1C[C@@H](C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1=O ZINC000056027955 1078035196 /nfs/dbraw/zinc/03/51/96/1078035196.db2.gz PTRYTMVBSVFMHB-KRWDZBQOSA-N 1 1 402.495 0.437 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)CC1 ZINC000056027997 1080233000 /nfs/dbraw/zinc/23/30/00/1080233000.db2.gz PYCAAGATLMUSHJ-KRWDZBQOSA-N 1 1 408.524 0.366 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)CC1 ZINC000056027998 1080232719 /nfs/dbraw/zinc/23/27/19/1080232719.db2.gz PYCAAGATLMUSHJ-QGZVFWFLSA-N 1 1 408.524 0.366 20 0 HCADMO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000056073637 1078036929 /nfs/dbraw/zinc/03/69/29/1078036929.db2.gz TZQWOFMDBJYHQO-UHFFFAOYSA-N 1 1 417.553 0.328 20 0 HCADMO CN1C(=O)c2ccc(S(=O)(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2C1=O ZINC000056073645 1078037026 /nfs/dbraw/zinc/03/70/26/1078037026.db2.gz YNWQHLJDQORIDP-UHFFFAOYSA-N 1 1 407.492 0.645 20 0 HCADMO O=C(c1cc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c[nH]1)N1CCCC1 ZINC000056073648 1080236247 /nfs/dbraw/zinc/23/62/47/1080236247.db2.gz KECYUDSGEWSMDP-UHFFFAOYSA-N 1 1 410.540 0.984 20 0 HCADMO CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000056073649 1080236662 /nfs/dbraw/zinc/23/66/62/1080236662.db2.gz VQVHMOVRRHDXAB-UHFFFAOYSA-N 1 1 402.538 0.823 20 0 HCADMO Cn1cc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000056094870 1078037778 /nfs/dbraw/zinc/03/77/78/1078037778.db2.gz VFFLFHNJPVZXRJ-GOSISDBHSA-N 1 1 403.508 0.704 20 0 HCADMO Cn1cc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000056094872 1078037760 /nfs/dbraw/zinc/03/77/60/1078037760.db2.gz VFFLFHNJPVZXRJ-SFHVURJKSA-N 1 1 403.508 0.704 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000056122642 1080239591 /nfs/dbraw/zinc/23/95/91/1080239591.db2.gz SIPNAINMYIQQMF-UHFFFAOYSA-N 1 1 407.496 0.496 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNS(=O)(=O)N2CCOCC2)c1 ZINC000056123777 1078849100 /nfs/dbraw/zinc/84/91/00/1078849100.db2.gz RQOJDTORUIACKC-UHFFFAOYSA-N 1 1 412.512 0.014 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000056291032 1079850417 /nfs/dbraw/zinc/85/04/17/1079850417.db2.gz TTXQIYASMOWXAO-HDICACEKSA-N 1 1 410.474 0.964 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)cc2)CC1 ZINC000056298621 1079850328 /nfs/dbraw/zinc/85/03/28/1079850328.db2.gz ZPGJYTNOZXWCAU-UHFFFAOYSA-N 1 1 413.478 0.877 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2)CC1 ZINC000056298691 1079850498 /nfs/dbraw/zinc/85/04/98/1079850498.db2.gz GWALQZPNAGPNKY-UHFFFAOYSA-N 1 1 407.430 0.856 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 ZINC000056298719 1079850393 /nfs/dbraw/zinc/85/03/93/1079850393.db2.gz SEHMZNNZCRRVDQ-NRFANRHFSA-N 1 1 413.478 0.733 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 ZINC000056298720 1079850456 /nfs/dbraw/zinc/85/04/56/1079850456.db2.gz SEHMZNNZCRRVDQ-OAQYLSRUSA-N 1 1 413.478 0.733 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000056298965 1080246748 /nfs/dbraw/zinc/24/67/48/1080246748.db2.gz UNOYGJOZMISZMP-KRWDZBQOSA-N 1 1 408.524 0.827 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000056298966 1080246768 /nfs/dbraw/zinc/24/67/68/1080246768.db2.gz UNOYGJOZMISZMP-QGZVFWFLSA-N 1 1 408.524 0.827 20 0 HCADMO Cn1ncc2c1ncn(CC(=O)Nc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)c2=O ZINC000056299007 1079850468 /nfs/dbraw/zinc/85/04/68/1079850468.db2.gz MLSSQSKQAGIZHX-UHFFFAOYSA-N 1 1 409.450 0.156 20 0 HCADMO CN(CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ncnc2nc[nH]c21 ZINC000056299189 1079850510 /nfs/dbraw/zinc/85/05/10/1079850510.db2.gz DKLIFPPTVYGYTF-UHFFFAOYSA-N 1 1 408.466 0.815 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2)CC1 ZINC000056299295 1079850439 /nfs/dbraw/zinc/85/04/39/1079850439.db2.gz LMWYNCUVAURAGK-UHFFFAOYSA-N 1 1 406.446 0.818 20 0 HCADMO C[C@@H](C(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000056299555 1079850352 /nfs/dbraw/zinc/85/03/52/1079850352.db2.gz PWQCNFVAQSASJU-INIZCTEOSA-N 1 1 412.494 0.929 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)n1cccn1 ZINC000056299556 1079850861 /nfs/dbraw/zinc/85/08/61/1079850861.db2.gz PWQCNFVAQSASJU-MRXNPFEDSA-N 1 1 412.494 0.929 20 0 HCADMO COCCCNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000056308101 1079850906 /nfs/dbraw/zinc/85/09/06/1079850906.db2.gz DBOQPHRFLJTKQG-QGZVFWFLSA-N 1 1 405.495 0.807 20 0 HCADMO COCCCNC(=O)C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000056308102 1079850962 /nfs/dbraw/zinc/85/09/62/1079850962.db2.gz DBOQPHRFLJTKQG-KRWDZBQOSA-N 1 1 405.495 0.807 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC(N2CCNC2=O)CC1 ZINC000056382295 1079851995 /nfs/dbraw/zinc/85/19/95/1079851995.db2.gz JBMMPHWPNQSGSM-UHFFFAOYSA-N 1 1 416.530 0.188 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 ZINC000056397520 1079852111 /nfs/dbraw/zinc/85/21/11/1079852111.db2.gz WAPJATFWVCBUES-UHFFFAOYSA-N 1 1 416.526 0.961 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)CC1 ZINC000056397522 1080252408 /nfs/dbraw/zinc/25/24/08/1080252408.db2.gz ZGVPEQSXNICAGP-MRXNPFEDSA-N 1 1 416.526 0.961 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)CC1 ZINC000056397524 1080252616 /nfs/dbraw/zinc/25/26/16/1080252616.db2.gz ZGVPEQSXNICAGP-INIZCTEOSA-N 1 1 416.526 0.961 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 ZINC000056398850 1080078610 /nfs/dbraw/zinc/07/86/10/1080078610.db2.gz JUGMASQVOSFNML-UHFFFAOYSA-N 1 1 409.560 0.926 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000056398884 1080252476 /nfs/dbraw/zinc/25/24/76/1080252476.db2.gz KEZPIDKIIVVCTI-UHFFFAOYSA-N 1 1 416.570 0.980 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000056398907 1079851968 /nfs/dbraw/zinc/85/19/68/1079851968.db2.gz SKLHQANJQZCWHZ-UHFFFAOYSA-N 1 1 419.526 0.715 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC000056398936 1079852059 /nfs/dbraw/zinc/85/20/59/1079852059.db2.gz GCQFXVSLFLFJNZ-UHFFFAOYSA-N 1 1 403.527 0.935 20 0 HCADMO CCN1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C(=O)C1=O ZINC000056407232 1079852548 /nfs/dbraw/zinc/85/25/48/1079852548.db2.gz YMOQZRACGZXGRG-UHFFFAOYSA-N 1 1 402.495 0.420 20 0 HCADMO NC(=O)C1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000056455160 1079853115 /nfs/dbraw/zinc/85/31/15/1079853115.db2.gz UWUDCZVVDOOKOP-UHFFFAOYSA-N 1 1 417.510 0.754 20 0 HCADMO CC(=O)NCCCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000056455162 1080255112 /nfs/dbraw/zinc/25/51/12/1080255112.db2.gz MTRXDTHIQIDQHN-UHFFFAOYSA-N 1 1 405.499 0.673 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@@H]2COCCO2)c1 ZINC000056455229 1080255025 /nfs/dbraw/zinc/25/50/25/1080255025.db2.gz DLQKFPDZLHVAIR-GOSISDBHSA-N 1 1 406.483 0.562 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@H]2COCCO2)c1 ZINC000056455230 1080255065 /nfs/dbraw/zinc/25/50/65/1080255065.db2.gz DLQKFPDZLHVAIR-SFHVURJKSA-N 1 1 406.483 0.562 20 0 HCADMO CC(C)C(=O)NCCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000056455248 1080254949 /nfs/dbraw/zinc/25/49/49/1080254949.db2.gz LALYMLBWCUHCOY-UHFFFAOYSA-N 1 1 419.526 0.919 20 0 HCADMO CCNC(=O)[C@@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000056455252 1080254895 /nfs/dbraw/zinc/25/48/95/1080254895.db2.gz MULPFQZYWSQCKH-OAHLLOKOSA-N 1 1 405.499 0.671 20 0 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CN1CCN(C(=O)CCNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000065801258 1080803674 /nfs/dbraw/zinc/80/36/74/1080803674.db2.gz FAOXWPLYKUZSTP-SFHVURJKSA-N 1 1 416.526 0.422 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000065803029 1080803814 /nfs/dbraw/zinc/80/38/14/1080803814.db2.gz MNAJXWPTUOSBJG-ZDUSSCGKSA-N 1 1 401.389 0.936 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCC(=O)NCC(F)(F)F)c1 ZINC000065803029 1080803812 /nfs/dbraw/zinc/80/38/12/1080803812.db2.gz MNAJXWPTUOSBJG-ZDUSSCGKSA-N 1 1 401.389 0.936 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000065827492 1080806875 /nfs/dbraw/zinc/80/68/75/1080806875.db2.gz LUSCJABWOYDMPV-IRXDYDNUSA-N 1 1 423.539 0.682 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000065827492 1080806871 /nfs/dbraw/zinc/80/68/71/1080806871.db2.gz LUSCJABWOYDMPV-IRXDYDNUSA-N 1 1 423.539 0.682 20 0 HCADMO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000065869101 1080001122 /nfs/dbraw/zinc/00/11/22/1080001122.db2.gz UAHCFNQGNOTJCA-KRWDZBQOSA-N 1 1 416.497 0.987 20 0 HCADMO Cn1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(=O)n(C)c1=O ZINC000065885931 1080815478 /nfs/dbraw/zinc/81/54/78/1080815478.db2.gz FXTUWKVTFDSKTK-MRXNPFEDSA-N 1 1 406.508 0.275 20 0 HCADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000065910839 1080001946 /nfs/dbraw/zinc/00/19/46/1080001946.db2.gz QNDJFNWOIXCROY-UHFFFAOYSA-N 1 1 424.523 0.965 20 0 HCADMO CC(C)C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000065962262 1080003093 /nfs/dbraw/zinc/00/30/93/1080003093.db2.gz VZEUNVMONLJHCL-UHFFFAOYSA-N 1 1 411.524 0.879 20 0 HCADMO COCCN(C(=O)C[N@@H+](C)CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000065962454 1080002775 /nfs/dbraw/zinc/00/27/75/1080002775.db2.gz MTEGVXVXLXQYFQ-UHFFFAOYSA-N 1 1 417.510 0.734 20 0 HCADMO CN(CCCNC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)S(C)(=O)=O ZINC000065962986 1080002998 /nfs/dbraw/zinc/00/29/98/1080002998.db2.gz YAFBYPFYWWDQKT-UHFFFAOYSA-N 1 1 416.588 0.545 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000065963033 1080002936 /nfs/dbraw/zinc/00/29/36/1080002936.db2.gz JFUYHBKWEIKXIZ-UHFFFAOYSA-N 1 1 421.586 0.380 20 0 HCADMO C[NH+](C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 ZINC000066045792 1080004391 /nfs/dbraw/zinc/00/43/91/1080004391.db2.gz XPDJDFLHFHCYGE-QGZVFWFLSA-N 1 1 420.491 0.514 20 0 HCADMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c(=O)n2C ZINC000069302568 1081344093 /nfs/dbraw/zinc/34/40/93/1081344093.db2.gz VWIPXUMDDDAKTB-AWEZNQCLSA-N 1 1 418.885 0.506 20 0 HCADMO Cn1cnc2c1c(=O)n(CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c(=O)n2C ZINC000069302569 1081343993 /nfs/dbraw/zinc/34/39/93/1081343993.db2.gz VWIPXUMDDDAKTB-CQSZACIVSA-N 1 1 418.885 0.506 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CCCC[C@@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000071808354 1078797467 /nfs/dbraw/zinc/79/74/67/1078797467.db2.gz MBYGDUSNKJRAGT-MRXNPFEDSA-N 1 1 400.479 0.597 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCCC[C@@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000071808354 1078797455 /nfs/dbraw/zinc/79/74/55/1078797455.db2.gz MBYGDUSNKJRAGT-MRXNPFEDSA-N 1 1 400.479 0.597 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CCCC[C@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000071808355 1078797634 /nfs/dbraw/zinc/79/76/34/1078797634.db2.gz MBYGDUSNKJRAGT-INIZCTEOSA-N 1 1 400.479 0.597 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCCC[C@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000071808355 1078797623 /nfs/dbraw/zinc/79/76/23/1078797623.db2.gz MBYGDUSNKJRAGT-INIZCTEOSA-N 1 1 400.479 0.597 20 0 HCADMO Cc1cccc2c(=O)n(CC(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cnc12 ZINC000071955415 1078833136 /nfs/dbraw/zinc/83/31/36/1078833136.db2.gz OFFRCMWYXIDXBA-UHFFFAOYSA-N 1 1 411.506 0.862 20 0 HCADMO Cc1cccc2c(=O)n(CC(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cnc12 ZINC000071955415 1078833135 /nfs/dbraw/zinc/83/31/35/1078833135.db2.gz OFFRCMWYXIDXBA-UHFFFAOYSA-N 1 1 411.506 0.862 20 0 HCADMO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCC[NH+]3CCN(C)CC3)cc(C(C)C)nc21 ZINC000072002736 1078835990 /nfs/dbraw/zinc/83/59/90/1078835990.db2.gz OQGPSZWMHGWWPW-UHFFFAOYSA-N 1 1 416.526 0.595 20 0 HCADMO CCCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(CC)CC2)CC1 ZINC000072012859 1078836799 /nfs/dbraw/zinc/83/67/99/1078836799.db2.gz DZZAYTJAWKNECH-UHFFFAOYSA-N 1 1 402.605 0.972 20 0 HCADMO O=C(Cn1ccc(=O)[nH]c1=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000072038500 1078837696 /nfs/dbraw/zinc/83/76/96/1078837696.db2.gz VTKCDNBBPXSCNN-UHFFFAOYSA-N 1 1 405.886 0.519 20 0 HCADMO O=C(Cc1ccc(-n2cnnn2)cc1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072058614 1078840718 /nfs/dbraw/zinc/84/07/18/1078840718.db2.gz QQNMKTGRNHIWSG-UHFFFAOYSA-N 1 1 419.489 0.665 20 0 HCADMO C[NH+]1CCN([C@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c2ccccc2)CC1 ZINC000078908947 1078531253 /nfs/dbraw/zinc/53/12/53/1078531253.db2.gz ZLHCBOLULALNEI-NRFANRHFSA-N 1 1 423.517 0.648 20 0 HCADMO C[NH+]1CCN([C@@H](C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c2ccccc2)CC1 ZINC000078908955 1078531391 /nfs/dbraw/zinc/53/13/91/1078531391.db2.gz ZLHCBOLULALNEI-OAQYLSRUSA-N 1 1 423.517 0.648 20 0 HCADMO Cc1ccc(CCC(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000079022825 1078537115 /nfs/dbraw/zinc/53/71/15/1078537115.db2.gz CPHWVHRRCGAHQN-GOSISDBHSA-N 1 1 409.552 0.621 20 0 HCADMO Cc1ccc(CCC(=O)NCC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000079022831 1078537083 /nfs/dbraw/zinc/53/70/83/1078537083.db2.gz CPHWVHRRCGAHQN-SFHVURJKSA-N 1 1 409.552 0.621 20 0 HCADMO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000106116981 1080117677 /nfs/dbraw/zinc/11/76/77/1080117677.db2.gz QQFBSAYJBKBGSM-UHFFFAOYSA-N 1 1 413.496 0.631 20 0 HCADMO NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000107682273 1080247583 /nfs/dbraw/zinc/24/75/83/1080247583.db2.gz OEDINNZUNBBWLJ-UHFFFAOYSA-N 1 1 403.526 0.067 20 0 HCADMO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000107828614 1080258228 /nfs/dbraw/zinc/25/82/28/1080258228.db2.gz JGKKZDHGQSJBMS-LJQANCHMSA-N 1 1 411.591 0.929 20 0 HCADMO CCN(CC)C(=O)CN1CCCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000107828617 1080258316 /nfs/dbraw/zinc/25/83/16/1080258316.db2.gz JGKKZDHGQSJBMS-IBGZPJMESA-N 1 1 411.591 0.929 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)CC1 ZINC000108087037 1080280397 /nfs/dbraw/zinc/28/03/97/1080280397.db2.gz WBICAQSUHONWMA-UHFFFAOYSA-N 1 1 421.567 0.857 20 0 HCADMO O=C(C[N@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000108141736 1080286743 /nfs/dbraw/zinc/28/67/43/1080286743.db2.gz IMXWTUTZKDZPDN-UHFFFAOYSA-N 1 1 421.563 0.855 20 0 HCADMO O=C(C[N@@H+](CCO)C1CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000108141736 1080286735 /nfs/dbraw/zinc/28/67/35/1080286735.db2.gz IMXWTUTZKDZPDN-UHFFFAOYSA-N 1 1 421.563 0.855 20 0 HCADMO COCCn1c(N)c(C(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c(=O)[nH]c1=O ZINC000108237120 1080294608 /nfs/dbraw/zinc/29/46/08/1080294608.db2.gz POHWRHULFIXTMS-UHFFFAOYSA-N 1 1 421.542 0.536 20 0 HCADMO CCS(=O)(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1 ZINC000108264559 1080295990 /nfs/dbraw/zinc/29/59/90/1080295990.db2.gz NXPNGBGCHQPZDX-UHFFFAOYSA-N 1 1 403.570 0.786 20 0 HCADMO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000108397267 1080309839 /nfs/dbraw/zinc/30/98/39/1080309839.db2.gz CRWOZZMNVMYNJQ-UHFFFAOYSA-N 1 1 403.570 0.704 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000108489163 1080319164 /nfs/dbraw/zinc/31/91/64/1080319164.db2.gz ITALKLDFCCCBDH-ZFWWWQNUSA-N 1 1 400.501 0.281 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000108489165 1080318920 /nfs/dbraw/zinc/31/89/20/1080318920.db2.gz ITALKLDFCCCBDH-DZGCQCFKSA-N 1 1 400.501 0.281 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2)CCO1 ZINC000109036372 1080351521 /nfs/dbraw/zinc/35/15/21/1080351521.db2.gz XSBLMAUGEFQUJA-KXPUMZMLSA-N 1 1 412.490 0.634 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2)CCO1 ZINC000109036372 1080351513 /nfs/dbraw/zinc/35/15/13/1080351513.db2.gz XSBLMAUGEFQUJA-KXPUMZMLSA-N 1 1 412.490 0.634 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2)CCO1 ZINC000109036373 1080351333 /nfs/dbraw/zinc/35/13/33/1080351333.db2.gz XSBLMAUGEFQUJA-WAVCKPEOSA-N 1 1 412.490 0.634 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)c2)CCO1 ZINC000109036373 1080351327 /nfs/dbraw/zinc/35/13/27/1080351327.db2.gz XSBLMAUGEFQUJA-WAVCKPEOSA-N 1 1 412.490 0.634 20 0 HCADMO CCC[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000109104945 1080369647 /nfs/dbraw/zinc/36/96/47/1080369647.db2.gz QMRQTOFESCQLAO-CQSZACIVSA-N 1 1 414.528 0.562 20 0 HCADMO CCC[N@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000109104945 1080369633 /nfs/dbraw/zinc/36/96/33/1080369633.db2.gz QMRQTOFESCQLAO-CQSZACIVSA-N 1 1 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C[NH+]1CCN(C(=O)CCNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000428771709 1074704876 /nfs/dbraw/zinc/70/48/76/1074704876.db2.gz ZSBOJGSFBYAPMQ-UHFFFAOYSA-N 1 1 416.931 0.707 20 0 HCADMO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428772181 1074704985 /nfs/dbraw/zinc/70/49/85/1074704985.db2.gz KXDAJTGGSFDCCH-GOSISDBHSA-N 1 1 412.531 0.830 20 0 HCADMO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428772182 1074704846 /nfs/dbraw/zinc/70/48/46/1074704846.db2.gz KXDAJTGGSFDCCH-SFHVURJKSA-N 1 1 412.531 0.830 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000428776973 1074748604 /nfs/dbraw/zinc/74/86/04/1074748604.db2.gz CYAIHJMNRCVRSV-JOCHJYFZSA-N 1 1 409.490 0.942 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000428776974 1074748722 /nfs/dbraw/zinc/74/87/22/1074748722.db2.gz CYAIHJMNRCVRSV-QFIPXVFZSA-N 1 1 409.490 0.942 20 0 HCADMO CCn1c(C[NH2+][C@@](C)(CC)C(N)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000428777887 1074751743 /nfs/dbraw/zinc/75/17/43/1074751743.db2.gz KCGXKCARISOFNG-IBGZPJMESA-N 1 1 423.539 0.821 20 0 HCADMO CCn1c(C[NH2+][C@](C)(CC)C(N)=O)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000428777888 1074751969 /nfs/dbraw/zinc/75/19/69/1074751969.db2.gz KCGXKCARISOFNG-LJQANCHMSA-N 1 1 423.539 0.821 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779424 1074780878 /nfs/dbraw/zinc/78/08/78/1074780878.db2.gz FNQBVQRCORQOGJ-NRFANRHFSA-N 1 1 411.462 0.250 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000428779425 1074780985 /nfs/dbraw/zinc/78/09/85/1074780985.db2.gz FNQBVQRCORQOGJ-OAQYLSRUSA-N 1 1 411.462 0.250 20 0 HCADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779865 1074765691 /nfs/dbraw/zinc/76/56/91/1074765691.db2.gz GNRHWMVTJOCOSO-FQEVSTJZSA-N 1 1 400.435 0.550 20 0 HCADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779865 1074765684 /nfs/dbraw/zinc/76/56/84/1074765684.db2.gz GNRHWMVTJOCOSO-FQEVSTJZSA-N 1 1 400.435 0.550 20 0 HCADMO CCn1c(N)c(C(=O)C[N@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779869 1074765829 /nfs/dbraw/zinc/76/58/29/1074765829.db2.gz GNRHWMVTJOCOSO-HXUWFJFHSA-N 1 1 400.435 0.550 20 0 HCADMO CCn1c(N)c(C(=O)C[N@@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428779869 1074765822 /nfs/dbraw/zinc/76/58/22/1074765822.db2.gz GNRHWMVTJOCOSO-HXUWFJFHSA-N 1 1 400.435 0.550 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780613 1074801208 /nfs/dbraw/zinc/80/12/08/1074801208.db2.gz FQBKXPFNJDXSGL-ASSNKEHSSA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780613 1074801205 /nfs/dbraw/zinc/80/12/05/1074801205.db2.gz FQBKXPFNJDXSGL-ASSNKEHSSA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780616 1074801276 /nfs/dbraw/zinc/80/12/76/1074801276.db2.gz FQBKXPFNJDXSGL-LRTDBIEQSA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780616 1074801273 /nfs/dbraw/zinc/80/12/73/1074801273.db2.gz FQBKXPFNJDXSGL-LRTDBIEQSA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780619 1074801195 /nfs/dbraw/zinc/80/11/95/1074801195.db2.gz FQBKXPFNJDXSGL-YEJXKQKISA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780619 1074801194 /nfs/dbraw/zinc/80/11/94/1074801194.db2.gz FQBKXPFNJDXSGL-YEJXKQKISA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780623 1074801296 /nfs/dbraw/zinc/80/12/96/1074801296.db2.gz FQBKXPFNJDXSGL-ZSEKCTLFSA-N 1 1 414.462 0.054 20 0 HCADMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000428780623 1074801293 /nfs/dbraw/zinc/80/12/93/1074801293.db2.gz FQBKXPFNJDXSGL-ZSEKCTLFSA-N 1 1 414.462 0.054 20 0 HCADMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781858 1074814748 /nfs/dbraw/zinc/81/47/48/1074814748.db2.gz SAJRPVMTBLMPLH-CVEARBPZSA-N 1 1 400.497 0.569 20 0 HCADMO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781860 1074814758 /nfs/dbraw/zinc/81/47/58/1074814758.db2.gz SAJRPVMTBLMPLH-HOTGVXAUSA-N 1 1 400.497 0.569 20 0 HCADMO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781862 1074815330 /nfs/dbraw/zinc/81/53/30/1074815330.db2.gz SAJRPVMTBLMPLH-HZPDHXFCSA-N 1 1 400.497 0.569 20 0 HCADMO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000428781864 1074815427 /nfs/dbraw/zinc/81/54/27/1074815427.db2.gz SAJRPVMTBLMPLH-JKSUJKDBSA-N 1 1 400.497 0.569 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428782715 1074820286 /nfs/dbraw/zinc/82/02/86/1074820286.db2.gz ILRFOBPAAKEKAL-GOSISDBHSA-N 1 1 412.556 0.906 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428782717 1074820363 /nfs/dbraw/zinc/82/03/63/1074820363.db2.gz ILRFOBPAAKEKAL-SFHVURJKSA-N 1 1 412.556 0.906 20 0 HCADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428784181 1075092379 /nfs/dbraw/zinc/09/23/79/1075092379.db2.gz OGNSZBJINMQURF-FQEVSTJZSA-N 1 1 422.595 0.995 20 0 HCADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000428784182 1075092483 /nfs/dbraw/zinc/09/24/83/1075092483.db2.gz OGNSZBJINMQURF-HXUWFJFHSA-N 1 1 422.595 0.995 20 0 HCADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785925 1075321186 /nfs/dbraw/zinc/32/11/86/1075321186.db2.gz MOHHXHGPBGIEQM-FQEVSTJZSA-N 1 1 422.595 0.995 20 0 HCADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428785926 1075321150 /nfs/dbraw/zinc/32/11/50/1075321150.db2.gz MOHHXHGPBGIEQM-HXUWFJFHSA-N 1 1 422.595 0.995 20 0 HCADMO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(N)=O ZINC000428786768 1075343800 /nfs/dbraw/zinc/34/38/00/1075343800.db2.gz IRZSJHFWKHNSJR-GOSISDBHSA-N 1 1 412.512 0.198 20 0 HCADMO CC[C@](C)([NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(N)=O ZINC000428786773 1075343891 /nfs/dbraw/zinc/34/38/91/1075343891.db2.gz IRZSJHFWKHNSJR-SFHVURJKSA-N 1 1 412.512 0.198 20 0 HCADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428788217 1075358490 /nfs/dbraw/zinc/35/84/90/1075358490.db2.gz LYLDRMCTYMJDAY-HKUYNNGSSA-N 1 1 408.568 0.858 20 0 HCADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428788219 1075358562 /nfs/dbraw/zinc/35/85/62/1075358562.db2.gz LYLDRMCTYMJDAY-IEBWSBKVSA-N 1 1 408.568 0.858 20 0 HCADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428788221 1075358574 /nfs/dbraw/zinc/35/85/74/1075358574.db2.gz LYLDRMCTYMJDAY-MJGOQNOKSA-N 1 1 408.568 0.858 20 0 HCADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000428788222 1075358503 /nfs/dbraw/zinc/35/85/03/1075358503.db2.gz LYLDRMCTYMJDAY-PKOBYXMFSA-N 1 1 408.568 0.858 20 0 HCADMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000428790723 1075397058 /nfs/dbraw/zinc/39/70/58/1075397058.db2.gz CDFLECNUWAGZAU-BPNCWPANSA-N 1 1 405.314 0.764 20 0 HCADMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000428790724 1075397068 /nfs/dbraw/zinc/39/70/68/1075397068.db2.gz CDFLECNUWAGZAU-GDLCADMTSA-N 1 1 405.314 0.764 20 0 HCADMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000428790725 1075396989 /nfs/dbraw/zinc/39/69/89/1075396989.db2.gz CDFLECNUWAGZAU-LEWSCRJBSA-N 1 1 405.314 0.764 20 0 HCADMO C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000428790726 1075396970 /nfs/dbraw/zinc/39/69/70/1075396970.db2.gz CDFLECNUWAGZAU-ZLKJLUDKSA-N 1 1 405.314 0.764 20 0 HCADMO CC[C@](C)([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C(N)=O ZINC000428791705 1075410042 /nfs/dbraw/zinc/41/00/42/1075410042.db2.gz FVDYFYHXGFTKOF-FQEVSTJZSA-N 1 1 422.551 0.994 20 0 HCADMO CC[C@@](C)([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)C(N)=O ZINC000428791708 1075410046 /nfs/dbraw/zinc/41/00/46/1075410046.db2.gz FVDYFYHXGFTKOF-HXUWFJFHSA-N 1 1 422.551 0.994 20 0 HCADMO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000428795227 1075426571 /nfs/dbraw/zinc/42/65/71/1075426571.db2.gz QMKALBYIVMISEY-FQEVSTJZSA-N 1 1 408.499 0.992 20 0 HCADMO CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000428795228 1075426454 /nfs/dbraw/zinc/42/64/54/1075426454.db2.gz QMKALBYIVMISEY-HXUWFJFHSA-N 1 1 408.499 0.992 20 0 HCADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000428795594 1075453499 /nfs/dbraw/zinc/45/34/99/1075453499.db2.gz XLWAQYLYHWUOMB-FQEVSTJZSA-N 1 1 408.499 0.992 20 0 HCADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000428795595 1075453428 /nfs/dbraw/zinc/45/34/28/1075453428.db2.gz XLWAQYLYHWUOMB-HXUWFJFHSA-N 1 1 408.499 0.992 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428798045 1075486143 /nfs/dbraw/zinc/48/61/43/1075486143.db2.gz GJJZTLJNXWKYOO-NRFANRHFSA-N 1 1 414.462 0.941 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428798045 1075486136 /nfs/dbraw/zinc/48/61/36/1075486136.db2.gz GJJZTLJNXWKYOO-NRFANRHFSA-N 1 1 414.462 0.941 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428798046 1075486207 /nfs/dbraw/zinc/48/62/07/1075486207.db2.gz GJJZTLJNXWKYOO-OAQYLSRUSA-N 1 1 414.462 0.941 20 0 HCADMO CCCn1c(N)c(C(=O)C[N@@H+]2CC[C@](C(=O)OC)(c3ccccc3)C2)c(=O)[nH]c1=O ZINC000428798046 1075486201 /nfs/dbraw/zinc/48/62/01/1075486201.db2.gz GJJZTLJNXWKYOO-OAQYLSRUSA-N 1 1 414.462 0.941 20 0 HCADMO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000428799090 1075507518 /nfs/dbraw/zinc/50/75/18/1075507518.db2.gz VIWRHEGFWNOXGS-KRWDZBQOSA-N 1 1 401.485 0.447 20 0 HCADMO COC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000428799091 1075507418 /nfs/dbraw/zinc/50/74/18/1075507418.db2.gz VIWRHEGFWNOXGS-QGZVFWFLSA-N 1 1 401.485 0.447 20 0 HCADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545571 /nfs/dbraw/zinc/54/55/71/1075545571.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800976 1075545568 /nfs/dbraw/zinc/54/55/68/1075545568.db2.gz DXQZVANTXUMLFK-PMACEKPBSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545398 /nfs/dbraw/zinc/54/53/98/1075545398.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800978 1075545393 /nfs/dbraw/zinc/54/53/93/1075545393.db2.gz DXQZVANTXUMLFK-UXHICEINSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545641 /nfs/dbraw/zinc/54/56/41/1075545641.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800980 1075545638 /nfs/dbraw/zinc/54/56/38/1075545638.db2.gz DXQZVANTXUMLFK-VQTJNVASSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545482 /nfs/dbraw/zinc/54/54/82/1075545482.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 1 1 417.554 0.917 20 0 HCADMO NC(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428800982 1075545478 /nfs/dbraw/zinc/54/54/78/1075545478.db2.gz DXQZVANTXUMLFK-WOJBJXKFSA-N 1 1 417.554 0.917 20 0 HCADMO 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O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1)NC(c1ccccc1)c1ccccc1 ZINC000428802957 1075576302 /nfs/dbraw/zinc/57/63/02/1075576302.db2.gz QEFZQENDCWNKSV-IBGZPJMESA-N 1 1 406.486 0.925 20 0 HCADMO O=C(CC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)NC(c1ccccc1)c1ccccc1 ZINC000428802959 1075576403 /nfs/dbraw/zinc/57/64/03/1075576403.db2.gz QEFZQENDCWNKSV-LJQANCHMSA-N 1 1 406.486 0.925 20 0 HCADMO O=C(CC[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1)NC(c1ccccc1)c1ccccc1 ZINC000428802959 1075576396 /nfs/dbraw/zinc/57/63/96/1075576396.db2.gz QEFZQENDCWNKSV-LJQANCHMSA-N 1 1 406.486 0.925 20 0 HCADMO CCn1c(=O)c(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000428803018 1075560852 /nfs/dbraw/zinc/56/08/52/1075560852.db2.gz QHCAPFQJZAVLDV-FQEVSTJZSA-N 1 1 401.467 0.087 20 0 HCADMO CCn1c(=O)c(C(=O)C[NH2+][C@](C)(CC)C(N)=O)c(N)n(Cc2ccccc2)c1=O ZINC000428803020 1075560822 /nfs/dbraw/zinc/56/08/22/1075560822.db2.gz QHCAPFQJZAVLDV-HXUWFJFHSA-N 1 1 401.467 0.087 20 0 HCADMO 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0.937 20 0 HCADMO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)[C@H](C)CO ZINC000428843497 1080433922 /nfs/dbraw/zinc/43/39/22/1080433922.db2.gz WCJHZJSJNQNJMH-OAHLLOKOSA-N 1 1 411.524 0.425 20 0 HCADMO CC(C)CN(C(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000428849079 1081264323 /nfs/dbraw/zinc/26/43/23/1081264323.db2.gz GVUJDENFIJMJDT-AYBZRNKSSA-N 1 1 409.552 0.905 20 0 HCADMO CC(C)CN(C(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000428849080 1081264444 /nfs/dbraw/zinc/26/44/44/1081264444.db2.gz GVUJDENFIJMJDT-IEZWGBDMSA-N 1 1 409.552 0.905 20 0 HCADMO CC(C)CN(C(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000428849081 1081264632 /nfs/dbraw/zinc/26/46/32/1081264632.db2.gz GVUJDENFIJMJDT-SUMDDJOVSA-N 1 1 409.552 0.905 20 0 HCADMO CC(C)CN(C(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000428849082 1081264483 /nfs/dbraw/zinc/26/44/83/1081264483.db2.gz GVUJDENFIJMJDT-WDYCEAGBSA-N 1 1 409.552 0.905 20 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BQFZHNAKAVKUPZ-SJORKVTESA-N 1 1 412.581 0.937 20 0 HCADMO Cn1cc(S(=O)(=O)NCC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cn1 ZINC000429016616 1081370410 /nfs/dbraw/zinc/37/04/10/1081370410.db2.gz CWNUUDYBYLVGDP-AWEZNQCLSA-N 1 1 421.292 0.923 20 0 HCADMO Cn1cc(S(=O)(=O)NCC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)cn1 ZINC000429016620 1081370616 /nfs/dbraw/zinc/37/06/16/1081370616.db2.gz CWNUUDYBYLVGDP-CQSZACIVSA-N 1 1 421.292 0.923 20 0 HCADMO Cn1c(=O)c(C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000429016927 1081370677 /nfs/dbraw/zinc/37/06/77/1081370677.db2.gz DMCFANMNTLRGEN-JOCHJYFZSA-N 1 1 411.506 0.388 20 0 HCADMO Cn1c(=O)c(C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000429016928 1081370562 /nfs/dbraw/zinc/37/05/62/1081370562.db2.gz DMCFANMNTLRGEN-QFIPXVFZSA-N 1 1 411.506 0.388 20 0 HCADMO CC(C)Cn1c(N)c(C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c(=O)n(C)c1=O ZINC000429017555 1081371071 /nfs/dbraw/zinc/37/10/71/1081371071.db2.gz DFLUTDIAAMUDJN-ARFHVFGLSA-N 1 1 405.543 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C[C@H]1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000462505566 1075420176 /nfs/dbraw/zinc/42/01/76/1075420176.db2.gz WGJQLCAQFZKEHY-LSDHHAIUSA-N 1 1 417.553 0.469 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000462515557 1075423579 /nfs/dbraw/zinc/42/35/79/1075423579.db2.gz FEHIDIMXMPDLPV-UHFFFAOYSA-N 1 1 423.539 0.236 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000462521705 1075425950 /nfs/dbraw/zinc/42/59/50/1075425950.db2.gz CTMDKLZRMNQKQL-UHFFFAOYSA-N 1 1 408.480 0.367 20 0 HCADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)CC2CCOCC2)CC1 ZINC000462522675 1075427489 /nfs/dbraw/zinc/42/74/89/1075427489.db2.gz ROEDZCSNNXUQFD-UHFFFAOYSA-N 1 1 417.572 0.293 20 0 HCADMO CC[N@@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C ZINC000462526947 1075429060 /nfs/dbraw/zinc/42/90/60/1075429060.db2.gz NPGXLYZLSYUNFL-UHFFFAOYSA-N 1 1 405.318 0.870 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000462532539 1075431032 /nfs/dbraw/zinc/43/10/32/1075431032.db2.gz YJSOYKGNRJSVAM-FQEVSTJZSA-N 1 1 415.494 0.921 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 ZINC000462532555 1075431060 /nfs/dbraw/zinc/43/10/60/1075431060.db2.gz YJSOYKGNRJSVAM-HXUWFJFHSA-N 1 1 415.494 0.921 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000462533133 1075427024 /nfs/dbraw/zinc/42/70/24/1075427024.db2.gz HBACIRJZEUHJNZ-CYBMUJFWSA-N 1 1 417.329 0.771 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000462533134 1075427016 /nfs/dbraw/zinc/42/70/16/1075427016.db2.gz HBACIRJZEUHJNZ-ZDUSSCGKSA-N 1 1 417.329 0.771 20 0 HCADMO Cc1c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cnn1-c1ccccn1 ZINC000462535146 1075435519 /nfs/dbraw/zinc/43/55/19/1075435519.db2.gz NJXCENWYEYOKQQ-INIZCTEOSA-N 1 1 418.523 0.503 20 0 HCADMO Cc1c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cnn1-c1ccccn1 ZINC000462535147 1075435412 /nfs/dbraw/zinc/43/54/12/1075435412.db2.gz NJXCENWYEYOKQQ-MRXNPFEDSA-N 1 1 418.523 0.503 20 0 HCADMO CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000462535332 1075435536 /nfs/dbraw/zinc/43/55/36/1075435536.db2.gz OJTZCPJYDSXPLC-GOSISDBHSA-N 1 1 408.524 0.596 20 0 HCADMO CC(=O)N(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000462535336 1075435437 /nfs/dbraw/zinc/43/54/37/1075435437.db2.gz OJTZCPJYDSXPLC-SFHVURJKSA-N 1 1 408.524 0.596 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000462535756 1075435335 /nfs/dbraw/zinc/43/53/35/1075435335.db2.gz QDQOEFJAVWCNIK-GOSISDBHSA-N 1 1 421.498 0.939 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 ZINC000462535757 1075435466 /nfs/dbraw/zinc/43/54/66/1075435466.db2.gz QDQOEFJAVWCNIK-SFHVURJKSA-N 1 1 421.498 0.939 20 0 HCADMO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000462536439 1075435826 /nfs/dbraw/zinc/43/58/26/1075435826.db2.gz FGFMJCAUBJEAIZ-UHFFFAOYSA-N 1 1 406.512 0.610 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cs1 ZINC000462537066 1075431545 /nfs/dbraw/zinc/43/15/45/1075431545.db2.gz UBCJTORPLOYVCJ-CYBMUJFWSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cs1 ZINC000462537067 1075431611 /nfs/dbraw/zinc/43/16/11/1075431611.db2.gz UBCJTORPLOYVCJ-ZDUSSCGKSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1C ZINC000462538482 1075431982 /nfs/dbraw/zinc/43/19/82/1075431982.db2.gz YYHIMFHCLKMFFA-KRWDZBQOSA-N 1 1 409.508 0.709 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1C ZINC000462538483 1075432043 /nfs/dbraw/zinc/43/20/43/1075432043.db2.gz YYHIMFHCLKMFFA-QGZVFWFLSA-N 1 1 409.508 0.709 20 0 HCADMO COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000462542767 1075433906 /nfs/dbraw/zinc/43/39/06/1075433906.db2.gz OSHARWKXZVGXTK-UHFFFAOYSA-N 1 1 403.888 0.569 20 0 HCADMO COc1ccccc1-n1cc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000462543653 1075433985 /nfs/dbraw/zinc/43/39/85/1075433985.db2.gz ULXORHRDENAAFE-UHFFFAOYSA-N 1 1 407.496 0.323 20 0 HCADMO Cn1c2cc(Br)c(S(=O)(=O)N[C@@H]3CC[N@@H+](C)C3)cc2n(C)c1=O ZINC000462546619 1075434806 /nfs/dbraw/zinc/43/48/06/1075434806.db2.gz DUDSLRPUOCJTRC-SECBINFHSA-N 1 1 403.302 0.622 20 0 HCADMO Cn1c2cc(Br)c(S(=O)(=O)N[C@@H]3CC[N@H+](C)C3)cc2n(C)c1=O ZINC000462546619 1075434803 /nfs/dbraw/zinc/43/48/03/1075434803.db2.gz DUDSLRPUOCJTRC-SECBINFHSA-N 1 1 403.302 0.622 20 0 HCADMO Cn1c2cc(Br)c(S(=O)(=O)N[C@H]3CC[N@@H+](C)C3)cc2n(C)c1=O ZINC000462546620 1075434916 /nfs/dbraw/zinc/43/49/16/1075434916.db2.gz DUDSLRPUOCJTRC-VIFPVBQESA-N 1 1 403.302 0.622 20 0 HCADMO Cn1c2cc(Br)c(S(=O)(=O)N[C@H]3CC[N@H+](C)C3)cc2n(C)c1=O ZINC000462546620 1075434908 /nfs/dbraw/zinc/43/49/08/1075434908.db2.gz DUDSLRPUOCJTRC-VIFPVBQESA-N 1 1 403.302 0.622 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000462552768 1075439861 /nfs/dbraw/zinc/43/98/61/1075439861.db2.gz RKGJXYRRHGEIED-HNNXBMFYSA-N 1 1 422.507 0.755 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000462552768 1075439853 /nfs/dbraw/zinc/43/98/53/1075439853.db2.gz RKGJXYRRHGEIED-HNNXBMFYSA-N 1 1 422.507 0.755 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000462552769 1075439734 /nfs/dbraw/zinc/43/97/34/1075439734.db2.gz RKGJXYRRHGEIED-OAHLLOKOSA-N 1 1 422.507 0.755 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000462552769 1075439730 /nfs/dbraw/zinc/43/97/30/1075439730.db2.gz RKGJXYRRHGEIED-OAHLLOKOSA-N 1 1 422.507 0.755 20 0 HCADMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)[C@@H](C)CO1 ZINC000462558819 1075436886 /nfs/dbraw/zinc/43/68/86/1075436886.db2.gz WMFUAUXVQUOPRX-KBPBESRZSA-N 1 1 403.467 0.927 20 0 HCADMO C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000462558820 1075436945 /nfs/dbraw/zinc/43/69/45/1075436945.db2.gz WMFUAUXVQUOPRX-KGLIPLIRSA-N 1 1 403.467 0.927 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNS(=O)(=O)Cc2ccon2)c1 ZINC000462558947 1075436982 /nfs/dbraw/zinc/43/69/82/1075436982.db2.gz YFFQWHQDBWVYMW-UHFFFAOYSA-N 1 1 408.480 0.955 20 0 HCADMO COc1ccc(CCNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1S(N)(=O)=O ZINC000462578642 1075447495 /nfs/dbraw/zinc/44/74/95/1075447495.db2.gz JNSZZRSRMHUOSJ-UHFFFAOYSA-N 1 1 408.480 0.899 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)cnc21 ZINC000462583246 1075444503 /nfs/dbraw/zinc/44/45/03/1075444503.db2.gz WWWYVJFAHWRVRC-CYBMUJFWSA-N 1 1 407.496 0.577 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)cnc21 ZINC000462583247 1075444590 /nfs/dbraw/zinc/44/45/90/1075444590.db2.gz WWWYVJFAHWRVRC-ZDUSSCGKSA-N 1 1 407.496 0.577 20 0 HCADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000462607135 1075458711 /nfs/dbraw/zinc/45/87/11/1075458711.db2.gz NBWOPQLBWIUEAN-INIZCTEOSA-N 1 1 412.512 0.537 20 0 HCADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000462607136 1075458618 /nfs/dbraw/zinc/45/86/18/1075458618.db2.gz NBWOPQLBWIUEAN-MRXNPFEDSA-N 1 1 412.512 0.537 20 0 HCADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000462615437 1075464923 /nfs/dbraw/zinc/46/49/23/1075464923.db2.gz IFUVBOLAJNKCNF-IAGOWNOFSA-N 1 1 404.577 0.943 20 0 HCADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000462615438 1075464999 /nfs/dbraw/zinc/46/49/99/1075464999.db2.gz IFUVBOLAJNKCNF-SJORKVTESA-N 1 1 404.577 0.943 20 0 HCADMO COc1ccc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(OC)n1 ZINC000462652796 1075473016 /nfs/dbraw/zinc/47/30/16/1075473016.db2.gz GJMCZAIKRSXULG-UHFFFAOYSA-N 1 1 405.499 0.794 20 0 HCADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462653093 1075473455 /nfs/dbraw/zinc/47/34/55/1075473455.db2.gz AKSZEPOFDGCHPY-UHFFFAOYSA-N 1 1 401.492 0.766 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)C1 ZINC000462653729 1075473975 /nfs/dbraw/zinc/47/39/75/1075473975.db2.gz GAFIZUCKQDZNJF-HNNXBMFYSA-N 1 1 420.535 0.388 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)C1 ZINC000462653732 1075474002 /nfs/dbraw/zinc/47/40/02/1075474002.db2.gz GAFIZUCKQDZNJF-OAHLLOKOSA-N 1 1 420.535 0.388 20 0 HCADMO COC(=O)c1ncsc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000462654253 1075474462 /nfs/dbraw/zinc/47/44/62/1075474462.db2.gz DSWAFCXNZAUTSA-CHWSQXEVSA-N 1 1 403.526 0.976 20 0 HCADMO COC(=O)c1ncsc1S(=O)(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000462654254 1075474445 /nfs/dbraw/zinc/47/44/45/1075474445.db2.gz DSWAFCXNZAUTSA-OLZOCXBDSA-N 1 1 403.526 0.976 20 0 HCADMO COC(=O)c1ncsc1S(=O)(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000462654255 1075474590 /nfs/dbraw/zinc/47/45/90/1075474590.db2.gz DSWAFCXNZAUTSA-QWHCGFSZSA-N 1 1 403.526 0.976 20 0 HCADMO 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/nfs/dbraw/zinc/57/51/58/1075575158.db2.gz QWMIMOSCVOZVKU-UHFFFAOYSA-N 1 1 403.527 0.539 20 0 HCADMO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000462979361 1075575155 /nfs/dbraw/zinc/57/51/55/1075575155.db2.gz QWMIMOSCVOZVKU-UHFFFAOYSA-N 1 1 403.527 0.539 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNC(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000462988278 1075573250 /nfs/dbraw/zinc/57/32/50/1075573250.db2.gz HRBZCTWBLOWLSH-UHFFFAOYSA-N 1 1 416.522 0.454 20 0 HCADMO O=C(Cc1ccc(O)cc1)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000462994728 1075577257 /nfs/dbraw/zinc/57/72/57/1075577257.db2.gz ZNYNELSQDYNJEB-UHFFFAOYSA-N 1 1 402.495 0.208 20 0 HCADMO O=C(Cc1ccc(O)cc1)NCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000462994728 1075577252 /nfs/dbraw/zinc/57/72/52/1075577252.db2.gz ZNYNELSQDYNJEB-UHFFFAOYSA-N 1 1 402.495 0.208 20 0 HCADMO CN(C(=O)C1(C2CC2)CCOCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000463002089 1075579035 /nfs/dbraw/zinc/57/90/35/1075579035.db2.gz OGGADMRDIZTRQC-UHFFFAOYSA-N 1 1 406.571 0.890 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007543 1075578053 /nfs/dbraw/zinc/57/80/53/1075578053.db2.gz FTCHLJJRYCOKHF-BPQIPLTHSA-N 1 1 422.551 0.500 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007545 1075577945 /nfs/dbraw/zinc/57/79/45/1075577945.db2.gz FTCHLJJRYCOKHF-KBAYOESNSA-N 1 1 422.551 0.500 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000463007546 1075577862 /nfs/dbraw/zinc/57/78/62/1075577862.db2.gz FTCHLJJRYCOKHF-NJAFHUGGSA-N 1 1 422.551 0.500 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000463007547 1075577972 /nfs/dbraw/zinc/57/79/72/1075577972.db2.gz FTCHLJJRYCOKHF-NXHRZFHOSA-N 1 1 422.551 0.500 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010434 1075578184 /nfs/dbraw/zinc/57/81/84/1075578184.db2.gz LFSLNFLTKJSAPK-APWZRJJASA-N 1 1 413.522 0.639 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010435 1075578361 /nfs/dbraw/zinc/57/83/61/1075578361.db2.gz LFSLNFLTKJSAPK-LPHOPBHVSA-N 1 1 413.522 0.639 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010436 1075578421 /nfs/dbraw/zinc/57/84/21/1075578421.db2.gz LFSLNFLTKJSAPK-QFBILLFUSA-N 1 1 413.522 0.639 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000463010437 1075578291 /nfs/dbraw/zinc/57/82/91/1075578291.db2.gz LFSLNFLTKJSAPK-VQIMIIECSA-N 1 1 413.522 0.639 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017168 1075579837 /nfs/dbraw/zinc/57/98/37/1075579837.db2.gz XJHXOHOTKOLGSH-HKUYNNGSSA-N 1 1 415.538 0.885 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017169 1075579746 /nfs/dbraw/zinc/57/97/46/1075579746.db2.gz XJHXOHOTKOLGSH-IEBWSBKVSA-N 1 1 415.538 0.885 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000463017170 1075580190 /nfs/dbraw/zinc/58/01/90/1075580190.db2.gz XJHXOHOTKOLGSH-MJGOQNOKSA-N 1 1 415.538 0.885 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000463017171 1075580359 /nfs/dbraw/zinc/58/03/59/1075580359.db2.gz XJHXOHOTKOLGSH-PKOBYXMFSA-N 1 1 415.538 0.885 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000463053709 1075584260 /nfs/dbraw/zinc/58/42/60/1075584260.db2.gz JUNSOZJGWCWFPY-HNNXBMFYSA-N 1 1 403.435 0.374 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(OC)c1 ZINC000463053711 1075584171 /nfs/dbraw/zinc/58/41/71/1075584171.db2.gz JUNSOZJGWCWFPY-OAHLLOKOSA-N 1 1 403.435 0.374 20 0 HCADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000463061529 1075585979 /nfs/dbraw/zinc/58/59/79/1075585979.db2.gz IFUVBOLAJNKCNF-DLBZAZTESA-N 1 1 404.577 0.943 20 0 HCADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000463061530 1075585956 /nfs/dbraw/zinc/58/59/56/1075585956.db2.gz IFUVBOLAJNKCNF-IRXDYDNUSA-N 1 1 404.577 0.943 20 0 HCADMO COc1ccc(OC)c(S(=O)(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000463073788 1075589401 /nfs/dbraw/zinc/58/94/01/1075589401.db2.gz YCRFBRZHPMQCQC-UHFFFAOYSA-N 1 1 413.540 0.732 20 0 HCADMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000463075014 1075589959 /nfs/dbraw/zinc/58/99/59/1075589959.db2.gz LLZPIZXBMHSCGD-UHFFFAOYSA-N 1 1 411.524 0.486 20 0 HCADMO O=c1[nH]c2ccc(S(=O)(=O)N3CCN(CC[N@H+]4CCCOCC4)CC3)cc2[nH]1 ZINC000463075591 1075589925 /nfs/dbraw/zinc/58/99/25/1075589925.db2.gz AZKBLCYKFBGFPJ-UHFFFAOYSA-N 1 1 409.512 0.297 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000463079027 1075590499 /nfs/dbraw/zinc/59/04/99/1075590499.db2.gz VVKABTXSELNKNS-UHFFFAOYSA-N 1 1 417.553 0.563 20 0 HCADMO COC(=O)[C@@H](CC(F)(F)F)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000463083830 1075596866 /nfs/dbraw/zinc/59/68/66/1075596866.db2.gz IOSHMFDKKGTTCT-CHWSQXEVSA-N 1 1 409.405 0.310 20 0 HCADMO COC(=O)[C@@H](CC(F)(F)F)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000463083854 1075596851 /nfs/dbraw/zinc/59/68/51/1075596851.db2.gz IOSHMFDKKGTTCT-OLZOCXBDSA-N 1 1 409.405 0.310 20 0 HCADMO COC(=O)[C@H](CC(F)(F)F)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000463083856 1075596901 /nfs/dbraw/zinc/59/69/01/1075596901.db2.gz IOSHMFDKKGTTCT-QWHCGFSZSA-N 1 1 409.405 0.310 20 0 HCADMO COC(=O)[C@H](CC(F)(F)F)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000463083858 1075596955 /nfs/dbraw/zinc/59/69/55/1075596955.db2.gz IOSHMFDKKGTTCT-STQMWFEESA-N 1 1 409.405 0.310 20 0 HCADMO Nc1c(N(CCO)CC[N@H+]2CCCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000463099276 1075604344 /nfs/dbraw/zinc/60/43/44/1075604344.db2.gz PYXXIESEVXEMDL-UHFFFAOYSA-N 1 1 403.483 0.100 20 0 HCADMO COCCn1c(N)c(N(CC[N@H+]2CCCOCC2)Cc2ccccc2)c(=O)[nH]c1=O ZINC000463100745 1075605808 /nfs/dbraw/zinc/60/58/08/1075605808.db2.gz YCOKSXUSSSYNJZ-UHFFFAOYSA-N 1 1 417.510 0.906 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCN2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000463106788 1075599381 /nfs/dbraw/zinc/59/93/81/1075599381.db2.gz KOIZRSWGQBBEHV-UHFFFAOYSA-N 1 1 410.584 0.613 20 0 HCADMO O=C1COc2ccc(S(=O)(=O)N3CCN(CC[N@H+]4CCCOCC4)CC3)cc2N1 ZINC000463107382 1075598702 /nfs/dbraw/zinc/59/87/02/1075598702.db2.gz MFMFXFSPLFJYOU-UHFFFAOYSA-N 1 1 424.523 0.046 20 0 HCADMO CCN1CC[NH+](CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116326 1075614102 /nfs/dbraw/zinc/61/41/02/1075614102.db2.gz CFAABJRTFGIOQK-FQEVSTJZSA-N 1 1 402.539 0.600 20 0 HCADMO CCN1CC[NH+](CCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000463116327 1075614043 /nfs/dbraw/zinc/61/40/43/1075614043.db2.gz CFAABJRTFGIOQK-HXUWFJFHSA-N 1 1 402.539 0.600 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000463132647 1075621018 /nfs/dbraw/zinc/62/10/18/1075621018.db2.gz UHOWGFMHNYQCLV-GFCCVEGCSA-N 1 1 417.445 0.968 20 0 HCADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000463132647 1075621016 /nfs/dbraw/zinc/62/10/16/1075621016.db2.gz UHOWGFMHNYQCLV-GFCCVEGCSA-N 1 1 417.445 0.968 20 0 HCADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000463132648 1075621124 /nfs/dbraw/zinc/62/11/24/1075621124.db2.gz UHOWGFMHNYQCLV-LBPRGKRZSA-N 1 1 417.445 0.968 20 0 HCADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2cn(CC(N)=O)nn2)c1 ZINC000463132648 1075621122 /nfs/dbraw/zinc/62/11/22/1075621122.db2.gz UHOWGFMHNYQCLV-LBPRGKRZSA-N 1 1 417.445 0.968 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000463145182 1075619449 /nfs/dbraw/zinc/61/94/49/1075619449.db2.gz MGUPUKKHELYFPW-UHFFFAOYSA-N 1 1 408.478 0.067 20 0 HCADMO Cc1cc(N2CCC[C@H](N3CCN(CC[N@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153305 1075631386 /nfs/dbraw/zinc/63/13/86/1075631386.db2.gz MKYLKBVBAXXDHX-IBGZPJMESA-N 1 1 404.559 0.564 20 0 HCADMO Cc1cc(N2CCC[C@@H](N3CCN(CC[N@H+]4CCCOCC4)CC3)C2=O)n(C)n1 ZINC000463153306 1075631325 /nfs/dbraw/zinc/63/13/25/1075631325.db2.gz MKYLKBVBAXXDHX-LJQANCHMSA-N 1 1 404.559 0.564 20 0 HCADMO CN(C)CC[NH+]1CCC(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000463154159 1075631468 /nfs/dbraw/zinc/63/14/68/1075631468.db2.gz CQISIMWGIIERBC-UHFFFAOYSA-N 1 1 408.522 0.883 20 0 HCADMO O=C(NCCC[NH+]1CCOCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463155693 1075632124 /nfs/dbraw/zinc/63/21/24/1075632124.db2.gz JXWDZRDHMVKSAY-IBGZPJMESA-N 1 1 404.511 0.478 20 0 HCADMO O=C(NCCC[NH+]1CCOCC1)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463155694 1075632136 /nfs/dbraw/zinc/63/21/36/1075632136.db2.gz JXWDZRDHMVKSAY-LJQANCHMSA-N 1 1 404.511 0.478 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000463157907 1075627651 /nfs/dbraw/zinc/62/76/51/1075627651.db2.gz UHSWNHZSOILAOI-UHFFFAOYSA-N 1 1 408.478 0.021 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000463159208 1075627989 /nfs/dbraw/zinc/62/79/89/1075627989.db2.gz YHOWYPHLGYEMNP-UHFFFAOYSA-N 1 1 423.539 0.190 20 0 HCADMO COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164302 1075629559 /nfs/dbraw/zinc/62/95/59/1075629559.db2.gz VEENPAIHIGSXAS-HNNXBMFYSA-N 1 1 412.556 0.964 20 0 HCADMO COCCN1CCC([NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000463164307 1075629617 /nfs/dbraw/zinc/62/96/17/1075629617.db2.gz VEENPAIHIGSXAS-OAHLLOKOSA-N 1 1 412.556 0.964 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176775 1075632880 /nfs/dbraw/zinc/63/28/80/1075632880.db2.gz GMKWDMTWPTUKJM-KBXCAEBGSA-N 1 1 416.503 0.909 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176776 1075632806 /nfs/dbraw/zinc/63/28/06/1075632806.db2.gz GMKWDMTWPTUKJM-KDOFPFPSSA-N 1 1 416.503 0.909 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176777 1075632932 /nfs/dbraw/zinc/63/29/32/1075632932.db2.gz GMKWDMTWPTUKJM-KSSFIOAISA-N 1 1 416.503 0.909 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000463176778 1075632901 /nfs/dbraw/zinc/63/29/01/1075632901.db2.gz GMKWDMTWPTUKJM-RDTXWAMCSA-N 1 1 416.503 0.909 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463188349 1075645324 /nfs/dbraw/zinc/64/53/24/1075645324.db2.gz CQRQBMPUMRYJCW-KRWDZBQOSA-N 1 1 403.504 0.848 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463188350 1075645330 /nfs/dbraw/zinc/64/53/30/1075645330.db2.gz CQRQBMPUMRYJCW-QGZVFWFLSA-N 1 1 403.504 0.848 20 0 HCADMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190056 1075637276 /nfs/dbraw/zinc/63/72/76/1075637276.db2.gz DRIJVSKHAAKXGL-FYQPLNBISA-N 1 1 408.587 0.870 20 0 HCADMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190057 1075637202 /nfs/dbraw/zinc/63/72/02/1075637202.db2.gz DRIJVSKHAAKXGL-WCIQWLHISA-N 1 1 408.587 0.870 20 0 HCADMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190058 1075637262 /nfs/dbraw/zinc/63/72/62/1075637262.db2.gz DRIJVSKHAAKXGL-WTGUMLROSA-N 1 1 408.587 0.870 20 0 HCADMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000463190059 1075637127 /nfs/dbraw/zinc/63/71/27/1075637127.db2.gz DRIJVSKHAAKXGL-ZRNYENFQSA-N 1 1 408.587 0.870 20 0 HCADMO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000463194614 1075640108 /nfs/dbraw/zinc/64/01/08/1075640108.db2.gz SFWMTVBHGHTYBX-UHFFFAOYSA-N 1 1 405.524 0.571 20 0 HCADMO CNS(=O)(=O)NC1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000463196458 1075640852 /nfs/dbraw/zinc/64/08/52/1075640852.db2.gz DBBSRROKMMACHF-UHFFFAOYSA-N 1 1 423.583 0.157 20 0 HCADMO CNS(=O)(=O)NC1CCN(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000463198272 1075641730 /nfs/dbraw/zinc/64/17/30/1075641730.db2.gz MEXFFRUFXBJOOT-UHFFFAOYSA-N 1 1 423.583 0.157 20 0 HCADMO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000463198828 1075654193 /nfs/dbraw/zinc/65/41/93/1075654193.db2.gz FOVBKQHFVLZYOZ-INIZCTEOSA-N 1 1 409.556 0.242 20 0 HCADMO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000463198830 1075654320 /nfs/dbraw/zinc/65/43/20/1075654320.db2.gz FOVBKQHFVLZYOZ-MRXNPFEDSA-N 1 1 409.556 0.242 20 0 HCADMO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000463199150 1075653941 /nfs/dbraw/zinc/65/39/41/1075653941.db2.gz GJOLUKCZJAPEEY-CYBMUJFWSA-N 1 1 416.519 0.699 20 0 HCADMO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000463199155 1075653848 /nfs/dbraw/zinc/65/38/48/1075653848.db2.gz GJOLUKCZJAPEEY-ZDUSSCGKSA-N 1 1 416.519 0.699 20 0 HCADMO Cc1ccccc1C[NH+]1CCN(C(=O)CN(CCNS(C)(=O)=O)C2CC2)CC1 ZINC000463200445 1075654392 /nfs/dbraw/zinc/65/43/92/1075654392.db2.gz BHNLKVPUJANNQC-UHFFFAOYSA-N 1 1 408.568 0.653 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 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CC[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CCOC1 ZINC000463456410 1075747718 /nfs/dbraw/zinc/74/77/18/1075747718.db2.gz ZZFWBKJYFZWDPO-LPHOPBHVSA-N 1 1 403.479 0.608 20 0 HCADMO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CCOC1 ZINC000463456411 1075747587 /nfs/dbraw/zinc/74/75/87/1075747587.db2.gz ZZFWBKJYFZWDPO-QFBILLFUSA-N 1 1 403.479 0.608 20 0 HCADMO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H]1CCOC1 ZINC000463456412 1075747642 /nfs/dbraw/zinc/74/76/42/1075747642.db2.gz ZZFWBKJYFZWDPO-VQIMIIECSA-N 1 1 403.479 0.608 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000463457117 1075748104 /nfs/dbraw/zinc/74/81/04/1075748104.db2.gz RHAMSHULIHHCHL-INIZCTEOSA-N 1 1 408.462 0.504 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000463457117 1075748098 /nfs/dbraw/zinc/74/80/98/1075748098.db2.gz RHAMSHULIHHCHL-INIZCTEOSA-N 1 1 408.462 0.504 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000463457118 1075748052 /nfs/dbraw/zinc/74/80/52/1075748052.db2.gz RHAMSHULIHHCHL-MRXNPFEDSA-N 1 1 408.462 0.504 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000463457118 1075748045 /nfs/dbraw/zinc/74/80/45/1075748045.db2.gz RHAMSHULIHHCHL-MRXNPFEDSA-N 1 1 408.462 0.504 20 0 HCADMO C[N@@H+](CCOc1cccc(CNC(=O)c2cn(CC(N)=O)nn2)c1)C1CCOCC1 ZINC000463503028 1075759131 /nfs/dbraw/zinc/75/91/31/1075759131.db2.gz FOQDNBJAIJBNQA-UHFFFAOYSA-N 1 1 416.482 0.183 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541345 1075766083 /nfs/dbraw/zinc/76/60/83/1075766083.db2.gz ILSPPFUIMMPWFQ-APWZRJJASA-N 1 1 406.502 0.903 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541346 1075766129 /nfs/dbraw/zinc/76/61/29/1075766129.db2.gz ILSPPFUIMMPWFQ-LPHOPBHVSA-N 1 1 406.502 0.903 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541347 1075766017 /nfs/dbraw/zinc/76/60/17/1075766017.db2.gz ILSPPFUIMMPWFQ-QFBILLFUSA-N 1 1 406.502 0.903 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 ZINC000463541349 1075765930 /nfs/dbraw/zinc/76/59/30/1075765930.db2.gz ILSPPFUIMMPWFQ-VQIMIIECSA-N 1 1 406.502 0.903 20 0 HCADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc(NC(C)=O)c1OC ZINC000463542006 1075766029 /nfs/dbraw/zinc/76/60/29/1075766029.db2.gz ILLYWUUZKVPGQC-AWEZNQCLSA-N 1 1 406.483 0.979 20 0 HCADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc(NC(C)=O)c1OC ZINC000463542007 1075766104 /nfs/dbraw/zinc/76/61/04/1075766104.db2.gz ILLYWUUZKVPGQC-CQSZACIVSA-N 1 1 406.483 0.979 20 0 HCADMO NC(=O)Cn1cc(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nn1 ZINC000463592350 1075773216 /nfs/dbraw/zinc/77/32/16/1075773216.db2.gz BAYOOKAVFMKZMX-UHFFFAOYSA-N 1 1 409.450 0.813 20 0 HCADMO COC(=O)[C@H]1CC[C@@H](C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)O1 ZINC000463595127 1075773849 /nfs/dbraw/zinc/77/38/49/1075773849.db2.gz WRHQPBAAFGUPLT-CEXWTWQISA-N 1 1 415.490 0.829 20 0 HCADMO COC(=O)[C@H]1CC[C@@H](C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)O1 ZINC000463595128 1075773889 /nfs/dbraw/zinc/77/38/89/1075773889.db2.gz WRHQPBAAFGUPLT-GBESFXJTSA-N 1 1 415.490 0.829 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c2)nn1 ZINC000463621317 1075778820 /nfs/dbraw/zinc/77/88/20/1075778820.db2.gz DZVDWMXVDWFFRX-UHFFFAOYSA-N 1 1 402.455 0.839 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463625163 1075780199 /nfs/dbraw/zinc/78/01/99/1075780199.db2.gz DFMFXBJITUHUIQ-UHFFFAOYSA-N 1 1 401.511 0.357 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)c2)nn1 ZINC000463627413 1075780793 /nfs/dbraw/zinc/78/07/93/1075780793.db2.gz CBQUBVHXBJNBNL-AWEZNQCLSA-N 1 1 414.466 0.841 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)c2)nn1 ZINC000463627414 1075780742 /nfs/dbraw/zinc/78/07/42/1075780742.db2.gz CBQUBVHXBJNBNL-CQSZACIVSA-N 1 1 414.466 0.841 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627432 1075781014 /nfs/dbraw/zinc/78/10/14/1075781014.db2.gz CKJOKUIHBHYMOE-INIZCTEOSA-N 1 1 401.511 0.405 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463627433 1075781113 /nfs/dbraw/zinc/78/11/13/1075781113.db2.gz CKJOKUIHBHYMOE-MRXNPFEDSA-N 1 1 401.511 0.405 20 0 HCADMO O=C(CNC(=O)c1cn(Cc2ccccn2)nn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000463627575 1075780657 /nfs/dbraw/zinc/78/06/57/1075780657.db2.gz VWTBUTWWFPTSSG-UHFFFAOYSA-N 1 1 419.489 0.796 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[NH+](CC(C)C)CC3)c2)nn1 ZINC000463629215 1075781775 /nfs/dbraw/zinc/78/17/75/1075781775.db2.gz NRUVEKMWKKAHIX-UHFFFAOYSA-N 1 1 414.466 0.793 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629701 1075781367 /nfs/dbraw/zinc/78/13/67/1075781367.db2.gz OHJRSBYALMJDIY-KRWDZBQOSA-N 1 1 424.567 0.434 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463629702 1075781309 /nfs/dbraw/zinc/78/13/09/1075781309.db2.gz OHJRSBYALMJDIY-QGZVFWFLSA-N 1 1 424.567 0.434 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000463630165 1075782345 /nfs/dbraw/zinc/78/23/45/1075782345.db2.gz RLFHDLXLHMWRHO-DLBZAZTESA-N 1 1 415.538 0.794 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000463630166 1075782403 /nfs/dbraw/zinc/78/24/03/1075782403.db2.gz RLFHDLXLHMWRHO-IAGOWNOFSA-N 1 1 415.538 0.794 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000463630167 1075782301 /nfs/dbraw/zinc/78/23/01/1075782301.db2.gz RLFHDLXLHMWRHO-IRXDYDNUSA-N 1 1 415.538 0.794 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000463630168 1075782385 /nfs/dbraw/zinc/78/23/85/1075782385.db2.gz RLFHDLXLHMWRHO-SJORKVTESA-N 1 1 415.538 0.794 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630957 1075781681 /nfs/dbraw/zinc/78/16/81/1075781681.db2.gz QJARGXNOPKOYAP-INIZCTEOSA-N 1 1 401.511 0.548 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463630958 1075781835 /nfs/dbraw/zinc/78/18/35/1075781835.db2.gz QJARGXNOPKOYAP-MRXNPFEDSA-N 1 1 401.511 0.548 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(C)nn(C)c3c2)CC1 ZINC000463630976 1075781666 /nfs/dbraw/zinc/78/16/66/1075781666.db2.gz QLXVUGBYAGDGGS-UHFFFAOYSA-N 1 1 414.510 0.927 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)nn1 ZINC000463632587 1075782987 /nfs/dbraw/zinc/78/29/87/1075782987.db2.gz YZFHRPKKWAMEHR-AWEZNQCLSA-N 1 1 414.466 0.983 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CCCC[C@H]3C)c2)nn1 ZINC000463632590 1075783018 /nfs/dbraw/zinc/78/30/18/1075783018.db2.gz YZFHRPKKWAMEHR-CQSZACIVSA-N 1 1 414.466 0.983 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[NH+](C(C)C)CC3)c2)nn1 ZINC000463637210 1075784467 /nfs/dbraw/zinc/78/44/67/1075784467.db2.gz QIBOLNUGCCALMP-UHFFFAOYSA-N 1 1 400.439 0.545 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)nn1 ZINC000463642538 1075789471 /nfs/dbraw/zinc/78/94/71/1075789471.db2.gz DYTXHZNRAJCGRK-CABCVRRESA-N 1 1 412.450 0.735 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)nn1 ZINC000463642539 1075789396 /nfs/dbraw/zinc/78/93/96/1075789396.db2.gz DYTXHZNRAJCGRK-GJZGRUSLSA-N 1 1 412.450 0.735 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000463642540 1075789441 /nfs/dbraw/zinc/78/94/41/1075789441.db2.gz DYTXHZNRAJCGRK-HUUCEWRRSA-N 1 1 412.450 0.735 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000463642541 1075789524 /nfs/dbraw/zinc/78/95/24/1075789524.db2.gz DYTXHZNRAJCGRK-LSDHHAIUSA-N 1 1 412.450 0.735 20 0 HCADMO Cc1cc(Cl)cnc1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000463643191 1075785315 /nfs/dbraw/zinc/78/53/15/1075785315.db2.gz JFYRQDQFPGNLRL-UHFFFAOYSA-N 1 1 407.902 0.995 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccco1 ZINC000463644051 1075784938 /nfs/dbraw/zinc/78/49/38/1075784938.db2.gz BNGUIUSVEOFEOS-KRWDZBQOSA-N 1 1 413.478 0.569 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)c1ccco1 ZINC000463644052 1075784962 /nfs/dbraw/zinc/78/49/62/1075784962.db2.gz BNGUIUSVEOFEOS-QGZVFWFLSA-N 1 1 413.478 0.569 20 0 HCADMO Cn1cc(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C2CC2)n1 ZINC000463644740 1075785306 /nfs/dbraw/zinc/78/53/06/1075785306.db2.gz FOMJUNYVOOYEEF-UHFFFAOYSA-N 1 1 424.505 0.940 20 0 HCADMO Cn1cc(NC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000463645199 1075785723 /nfs/dbraw/zinc/78/57/23/1075785723.db2.gz SREUBOOUDBLUHO-UHFFFAOYSA-N 1 1 402.499 0.249 20 0 HCADMO Cn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(C2CC2)n1 ZINC000463649234 1075787327 /nfs/dbraw/zinc/78/73/27/1075787327.db2.gz MHRMKKRQTAYZLC-UHFFFAOYSA-N 1 1 412.498 0.355 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2)nn1 ZINC000463650829 1075787304 /nfs/dbraw/zinc/78/73/04/1075787304.db2.gz RZTBBOSPPGXHKG-CYBMUJFWSA-N 1 1 412.450 0.593 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2)nn1 ZINC000463650830 1075787280 /nfs/dbraw/zinc/78/72/80/1075787280.db2.gz RZTBBOSPPGXHKG-ZDUSSCGKSA-N 1 1 412.450 0.593 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCCC[C@@H]1C ZINC000463651410 1075787664 /nfs/dbraw/zinc/78/76/64/1075787664.db2.gz UPJJROPJEDVNSS-DLBZAZTESA-N 1 1 415.538 0.936 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCCC[C@H]1C ZINC000463651411 1075787601 /nfs/dbraw/zinc/78/76/01/1075787601.db2.gz UPJJROPJEDVNSS-IAGOWNOFSA-N 1 1 415.538 0.936 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCCC[C@@H]1C ZINC000463651412 1075787562 /nfs/dbraw/zinc/78/75/62/1075787562.db2.gz UPJJROPJEDVNSS-IRXDYDNUSA-N 1 1 415.538 0.936 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[N@H+]1CCCC[C@H]1C ZINC000463651413 1075787630 /nfs/dbraw/zinc/78/76/30/1075787630.db2.gz UPJJROPJEDVNSS-SJORKVTESA-N 1 1 415.538 0.936 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCCn3cc[nH+]c3C)c2)nn1 ZINC000463652757 1075787896 /nfs/dbraw/zinc/78/78/96/1075787896.db2.gz ZVGLSPCYJXDBAB-UHFFFAOYSA-N 1 1 411.422 0.704 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463653425 1075788624 /nfs/dbraw/zinc/78/86/24/1075788624.db2.gz QCCWXQBCTXUEAB-UHFFFAOYSA-N 1 1 400.439 0.547 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000463654703 1075788639 /nfs/dbraw/zinc/78/86/39/1075788639.db2.gz HOWUBEYOSDWVEK-KRWDZBQOSA-N 1 1 414.510 0.879 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000463654704 1075788592 /nfs/dbraw/zinc/78/85/92/1075788592.db2.gz HOWUBEYOSDWVEK-QGZVFWFLSA-N 1 1 414.510 0.879 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656361 1075785333 /nfs/dbraw/zinc/78/53/33/1075785333.db2.gz SNPWUCKPDSHBQD-DLBZAZTESA-N 1 1 415.538 0.794 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656362 1075785322 /nfs/dbraw/zinc/78/53/22/1075785322.db2.gz SNPWUCKPDSHBQD-IAGOWNOFSA-N 1 1 415.538 0.794 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656363 1075785271 /nfs/dbraw/zinc/78/52/71/1075785271.db2.gz SNPWUCKPDSHBQD-IRXDYDNUSA-N 1 1 415.538 0.794 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463656364 1075785285 /nfs/dbraw/zinc/78/52/85/1075785285.db2.gz SNPWUCKPDSHBQD-SJORKVTESA-N 1 1 415.538 0.794 20 0 HCADMO NC(=O)Cn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)nn1 ZINC000463658090 1075792115 /nfs/dbraw/zinc/79/21/15/1075792115.db2.gz NGZWSSXXKIJXPL-UHFFFAOYSA-N 1 1 405.890 0.359 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)Cc1ccccc1 ZINC000463659570 1075792487 /nfs/dbraw/zinc/79/24/87/1075792487.db2.gz HPNVVSVRHVHIOG-UHFFFAOYSA-N 1 1 423.517 0.805 20 0 HCADMO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000463659587 1075792667 /nfs/dbraw/zinc/79/26/67/1075792667.db2.gz HRRGDOSMCFUTEA-GOSISDBHSA-N 1 1 413.522 0.690 20 0 HCADMO O=C(Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000463659602 1075792789 /nfs/dbraw/zinc/79/27/89/1075792789.db2.gz HRRGDOSMCFUTEA-SFHVURJKSA-N 1 1 413.522 0.690 20 0 HCADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463661546 1075789810 /nfs/dbraw/zinc/78/98/10/1075789810.db2.gz DCQXILJXCHJKIE-KRWDZBQOSA-N 1 1 401.511 0.405 20 0 HCADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463661547 1075789723 /nfs/dbraw/zinc/78/97/23/1075789723.db2.gz DCQXILJXCHJKIE-QGZVFWFLSA-N 1 1 401.511 0.405 20 0 HCADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463662145 1075789699 /nfs/dbraw/zinc/78/96/99/1075789699.db2.gz DSUKKUUSDNNZSR-CALCHBBNSA-N 1 1 415.538 0.936 20 0 HCADMO COCC[NH+]1CCC(NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)CC1 ZINC000463662745 1075789826 /nfs/dbraw/zinc/78/98/26/1075789826.db2.gz UPDVJDHUHNHHNO-UHFFFAOYSA-N 1 1 415.512 0.916 20 0 HCADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463666732 1075790633 /nfs/dbraw/zinc/79/06/33/1075790633.db2.gz SWEFKYLTOSUGPP-AWEZNQCLSA-N 1 1 414.466 0.841 20 0 HCADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463666733 1075790593 /nfs/dbraw/zinc/79/05/93/1075790593.db2.gz SWEFKYLTOSUGPP-CQSZACIVSA-N 1 1 414.466 0.841 20 0 HCADMO Cn1cc(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c(C2CC2)n1 ZINC000463667535 1075790612 /nfs/dbraw/zinc/79/06/12/1075790612.db2.gz SXBACMXSTCZCRG-UHFFFAOYSA-N 1 1 411.510 0.960 20 0 HCADMO Cn1cc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000463670035 1075790970 /nfs/dbraw/zinc/79/09/70/1075790970.db2.gz OZPLAHJBHWCCNL-UHFFFAOYSA-N 1 1 416.526 0.639 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)c2)nn1 ZINC000463672590 1075791829 /nfs/dbraw/zinc/79/18/29/1075791829.db2.gz KJLDFHINJKWELM-UHFFFAOYSA-N 1 1 414.466 0.935 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463672665 1075791505 /nfs/dbraw/zinc/79/15/05/1075791505.db2.gz LCXABDIKIAULLO-UHFFFAOYSA-N 1 1 401.511 0.500 20 0 HCADMO COCC[C@H](C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000463679974 1075793099 /nfs/dbraw/zinc/79/30/99/1075793099.db2.gz PRPRHRSXGNXBRE-INIZCTEOSA-N 1 1 405.561 0.292 20 0 HCADMO COCC[C@@H](C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000463679975 1075793418 /nfs/dbraw/zinc/79/34/18/1075793418.db2.gz PRPRHRSXGNXBRE-MRXNPFEDSA-N 1 1 405.561 0.292 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)ccc12 ZINC000463682731 1075793774 /nfs/dbraw/zinc/79/37/74/1075793774.db2.gz FZSVNJPAOUTRKQ-UHFFFAOYSA-N 1 1 400.483 0.489 20 0 HCADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463689419 1075795196 /nfs/dbraw/zinc/79/51/96/1075795196.db2.gz YDANHSWXTMWGBU-GOSISDBHSA-N 1 1 415.538 0.747 20 0 HCADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463689420 1075795301 /nfs/dbraw/zinc/79/53/01/1075795301.db2.gz YDANHSWXTMWGBU-SFHVURJKSA-N 1 1 415.538 0.747 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690915 1075795281 /nfs/dbraw/zinc/79/52/81/1075795281.db2.gz UIPXBKZPLIKLNI-KRWDZBQOSA-N 1 1 401.511 0.357 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463690916 1075795325 /nfs/dbraw/zinc/79/53/25/1075795325.db2.gz UIPXBKZPLIKLNI-QGZVFWFLSA-N 1 1 401.511 0.357 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463692146 1075796235 /nfs/dbraw/zinc/79/62/35/1075796235.db2.gz VPLKFOSTOBENCU-AWEZNQCLSA-N 1 1 414.466 0.793 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463692147 1075796118 /nfs/dbraw/zinc/79/61/18/1075796118.db2.gz VPLKFOSTOBENCU-CQSZACIVSA-N 1 1 414.466 0.793 20 0 HCADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463698551 1075797690 /nfs/dbraw/zinc/79/76/90/1075797690.db2.gz CBZJNMGTJGCXNM-UHFFFAOYSA-N 1 1 412.494 0.658 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463700097 1075797713 /nfs/dbraw/zinc/79/77/13/1075797713.db2.gz TVPPYBRVWQYSFV-GOSISDBHSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463700097 1075797708 /nfs/dbraw/zinc/79/77/08/1075797708.db2.gz TVPPYBRVWQYSFV-GOSISDBHSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463700098 1075797542 /nfs/dbraw/zinc/79/75/42/1075797542.db2.gz TVPPYBRVWQYSFV-SFHVURJKSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463700098 1075797535 /nfs/dbraw/zinc/79/75/35/1075797535.db2.gz TVPPYBRVWQYSFV-SFHVURJKSA-N 1 1 401.511 0.356 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)c2)nn1 ZINC000463705372 1075801800 /nfs/dbraw/zinc/80/18/00/1075801800.db2.gz PBFVSROCDAYUFZ-KRWDZBQOSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)c2)nn1 ZINC000463705372 1075801798 /nfs/dbraw/zinc/80/17/98/1075801798.db2.gz PBFVSROCDAYUFZ-KRWDZBQOSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)c2)nn1 ZINC000463705373 1075801748 /nfs/dbraw/zinc/80/17/48/1075801748.db2.gz PBFVSROCDAYUFZ-QGZVFWFLSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)c2)nn1 ZINC000463705373 1075801747 /nfs/dbraw/zinc/80/17/47/1075801747.db2.gz PBFVSROCDAYUFZ-QGZVFWFLSA-N 1 1 414.466 0.791 20 0 HCADMO COc1cc(C(=O)NCCC[NH+]2CCC(O)CC2)cc(NS(C)(=O)=O)c1OC ZINC000463708077 1075801972 /nfs/dbraw/zinc/80/19/72/1075801972.db2.gz QNCLFDTXYXKTSV-UHFFFAOYSA-N 1 1 415.512 0.652 20 0 HCADMO COC(=O)C[C@@]1(NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCOC1 ZINC000463709956 1075799931 /nfs/dbraw/zinc/79/99/31/1075799931.db2.gz XHQCKGXEFHGABI-JXFKEZNVSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@@]1(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCOC1 ZINC000463709956 1075799928 /nfs/dbraw/zinc/79/99/28/1075799928.db2.gz XHQCKGXEFHGABI-JXFKEZNVSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@]1(NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCOC1 ZINC000463709957 1075799790 /nfs/dbraw/zinc/79/97/90/1075799790.db2.gz XHQCKGXEFHGABI-OXJNMPFZSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@]1(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCOC1 ZINC000463709957 1075799786 /nfs/dbraw/zinc/79/97/86/1075799786.db2.gz XHQCKGXEFHGABI-OXJNMPFZSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@]1(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCOC1 ZINC000463709958 1075799860 /nfs/dbraw/zinc/79/98/60/1075799860.db2.gz XHQCKGXEFHGABI-OXQOHEQNSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@]1(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCOC1 ZINC000463709958 1075799854 /nfs/dbraw/zinc/79/98/54/1075799854.db2.gz XHQCKGXEFHGABI-OXQOHEQNSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@@]1(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCOC1 ZINC000463709959 1075799761 /nfs/dbraw/zinc/79/97/61/1075799761.db2.gz XHQCKGXEFHGABI-UZLBHIALSA-N 1 1 404.467 0.980 20 0 HCADMO COC(=O)C[C@@]1(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCOC1 ZINC000463709959 1075799755 /nfs/dbraw/zinc/79/97/55/1075799755.db2.gz XHQCKGXEFHGABI-UZLBHIALSA-N 1 1 404.467 0.980 20 0 HCADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714488 1075800695 /nfs/dbraw/zinc/80/06/95/1075800695.db2.gz BYTVSFBKXAOXQN-HNNXBMFYSA-N 1 1 400.439 0.593 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463714489 1075800652 /nfs/dbraw/zinc/80/06/52/1075800652.db2.gz BYTVSFBKXAOXQN-OAHLLOKOSA-N 1 1 400.439 0.593 20 0 HCADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718888 1075801018 /nfs/dbraw/zinc/80/10/18/1075801018.db2.gz PGKQJYNUFRWANH-IBGZPJMESA-N 1 1 415.538 0.938 20 0 HCADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463718890 1075800977 /nfs/dbraw/zinc/80/09/77/1075800977.db2.gz PGKQJYNUFRWANH-LJQANCHMSA-N 1 1 415.538 0.938 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)c2)nn1 ZINC000463722965 1075801434 /nfs/dbraw/zinc/80/14/34/1075801434.db2.gz CZOGTCGRZMBXCG-UHFFFAOYSA-N 1 1 412.450 0.689 20 0 HCADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723291 1075801561 /nfs/dbraw/zinc/80/15/61/1075801561.db2.gz ACNPECDPKURIIA-INIZCTEOSA-N 1 1 414.466 0.983 20 0 HCADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463723292 1075801583 /nfs/dbraw/zinc/80/15/83/1075801583.db2.gz ACNPECDPKURIIA-MRXNPFEDSA-N 1 1 414.466 0.983 20 0 HCADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)C(C)C ZINC000463723409 1075801579 /nfs/dbraw/zinc/80/15/79/1075801579.db2.gz PMAITGXONAVDOA-UHFFFAOYSA-N 1 1 402.455 0.839 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C1CCCCC1 ZINC000463723845 1075801613 /nfs/dbraw/zinc/80/16/13/1075801613.db2.gz VRHJEBIQKYKTHO-UHFFFAOYSA-N 1 1 415.538 0.938 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)c2)nn1 ZINC000463724232 1075801768 /nfs/dbraw/zinc/80/17/68/1075801768.db2.gz AHQBGUDTTITLHV-UHFFFAOYSA-N 1 1 414.466 0.983 20 0 HCADMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)C1CC1 ZINC000463724829 1075801591 /nfs/dbraw/zinc/80/15/91/1075801591.db2.gz XVPKIRUQJPNRBW-UHFFFAOYSA-N 1 1 400.439 0.593 20 0 HCADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463725389 1075802368 /nfs/dbraw/zinc/80/23/68/1075802368.db2.gz SRDGDOJBECIGAN-CYBMUJFWSA-N 1 1 402.455 0.839 20 0 HCADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463725390 1075802377 /nfs/dbraw/zinc/80/23/77/1075802377.db2.gz SRDGDOJBECIGAN-ZDUSSCGKSA-N 1 1 402.455 0.839 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc12 ZINC000463725962 1075802110 /nfs/dbraw/zinc/80/21/10/1075802110.db2.gz VMUDZGLMDIRMSR-AWEZNQCLSA-N 1 1 400.483 0.524 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc12 ZINC000463725963 1075802384 /nfs/dbraw/zinc/80/23/84/1075802384.db2.gz VMUDZGLMDIRMSR-CQSZACIVSA-N 1 1 400.483 0.524 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)c2)nn1 ZINC000463727517 1075802348 /nfs/dbraw/zinc/80/23/48/1075802348.db2.gz OEADRHLSFWAZRN-GFCCVEGCSA-N 1 1 400.439 0.591 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)c2)nn1 ZINC000463727518 1075802391 /nfs/dbraw/zinc/80/23/91/1075802391.db2.gz OEADRHLSFWAZRN-LBPRGKRZSA-N 1 1 400.439 0.591 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[NH+]3CCSCC3)c2)nn1 ZINC000463731067 1075802786 /nfs/dbraw/zinc/80/27/86/1075802786.db2.gz RBXVXTNDUSYURB-UHFFFAOYSA-N 1 1 418.479 0.157 20 0 HCADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463733343 1075803348 /nfs/dbraw/zinc/80/33/48/1075803348.db2.gz MGUFKYBARYJXMZ-GOSISDBHSA-N 1 1 415.538 0.794 20 0 HCADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463733344 1075803381 /nfs/dbraw/zinc/80/33/81/1075803381.db2.gz MGUFKYBARYJXMZ-SFHVURJKSA-N 1 1 415.538 0.794 20 0 HCADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734027 1075803133 /nfs/dbraw/zinc/80/31/33/1075803133.db2.gz YYIUHVGNNPJEDZ-GOSISDBHSA-N 1 1 401.511 0.548 20 0 HCADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463734028 1075803202 /nfs/dbraw/zinc/80/32/02/1075803202.db2.gz YYIUHVGNNPJEDZ-SFHVURJKSA-N 1 1 401.511 0.548 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C1CCCC1 ZINC000463734498 1075803330 /nfs/dbraw/zinc/80/33/30/1075803330.db2.gz XYBJLEHOBRRAFB-UHFFFAOYSA-N 1 1 401.511 0.548 20 0 HCADMO Cc1nc(C)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)nc1C ZINC000463746717 1075804938 /nfs/dbraw/zinc/80/49/38/1075804938.db2.gz GSBPKIOCZGJHFG-UHFFFAOYSA-N 1 1 402.543 0.712 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463764668 1075805561 /nfs/dbraw/zinc/80/55/61/1075805561.db2.gz OZCBWVOPDDIELL-FQEVSTJZSA-N 1 1 406.502 0.868 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC000463764672 1075805539 /nfs/dbraw/zinc/80/55/39/1075805539.db2.gz OZCBWVOPDDIELL-HXUWFJFHSA-N 1 1 406.502 0.868 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765832 1075805758 /nfs/dbraw/zinc/80/57/58/1075805758.db2.gz SQRNMUXRBLJKQD-GOSISDBHSA-N 1 1 415.538 0.794 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463765833 1075805803 /nfs/dbraw/zinc/80/58/03/1075805803.db2.gz SQRNMUXRBLJKQD-SFHVURJKSA-N 1 1 415.538 0.794 20 0 HCADMO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000463777212 1075807518 /nfs/dbraw/zinc/80/75/18/1075807518.db2.gz WLQVIFWNMXJTSR-UHFFFAOYSA-N 1 1 404.492 0.545 20 0 HCADMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463778908 1075807744 /nfs/dbraw/zinc/80/77/44/1075807744.db2.gz CYXXVCSVLGODOA-IBGZPJMESA-N 1 1 413.522 0.690 20 0 HCADMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463778909 1075807987 /nfs/dbraw/zinc/80/79/87/1075807987.db2.gz CYXXVCSVLGODOA-LJQANCHMSA-N 1 1 413.522 0.690 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)nn1 ZINC000463782504 1075812030 /nfs/dbraw/zinc/81/20/30/1075812030.db2.gz LSCAVFBSRKDUJR-DZGCQCFKSA-N 1 1 414.466 0.934 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)nn1 ZINC000463782505 1075812046 /nfs/dbraw/zinc/81/20/46/1075812046.db2.gz LSCAVFBSRKDUJR-HIFRSBDPSA-N 1 1 414.466 0.934 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)nn1 ZINC000463782506 1075812035 /nfs/dbraw/zinc/81/20/35/1075812035.db2.gz LSCAVFBSRKDUJR-UKRRQHHQSA-N 1 1 414.466 0.934 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)nn1 ZINC000463782507 1075812007 /nfs/dbraw/zinc/81/20/07/1075812007.db2.gz LSCAVFBSRKDUJR-ZFWWWQNUSA-N 1 1 414.466 0.934 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)c2)nn1 ZINC000463784010 1075812074 /nfs/dbraw/zinc/81/20/74/1075812074.db2.gz RFRIWWFZUTYXNT-UHFFFAOYSA-N 1 1 412.450 0.761 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)c2)nn1 ZINC000463784189 1075812081 /nfs/dbraw/zinc/81/20/81/1075812081.db2.gz WFRKILGSXKPQLM-UHFFFAOYSA-N 1 1 400.439 0.545 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000463784629 1075812582 /nfs/dbraw/zinc/81/25/82/1075812582.db2.gz WSHMRPBMQIWNFL-CYBMUJFWSA-N 1 1 401.485 0.526 20 0 HCADMO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000463784629 1075812580 /nfs/dbraw/zinc/81/25/80/1075812580.db2.gz WSHMRPBMQIWNFL-CYBMUJFWSA-N 1 1 401.485 0.526 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000463784630 1075812595 /nfs/dbraw/zinc/81/25/95/1075812595.db2.gz WSHMRPBMQIWNFL-ZDUSSCGKSA-N 1 1 401.485 0.526 20 0 HCADMO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)C1 ZINC000463784630 1075812594 /nfs/dbraw/zinc/81/25/94/1075812594.db2.gz WSHMRPBMQIWNFL-ZDUSSCGKSA-N 1 1 401.485 0.526 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)ccc12 ZINC000463784833 1075812493 /nfs/dbraw/zinc/81/24/93/1075812493.db2.gz UWJKHHXOSAGCKX-UHFFFAOYSA-N 1 1 400.483 0.443 20 0 HCADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463785830 1075812785 /nfs/dbraw/zinc/81/27/85/1075812785.db2.gz XLOGUWSZCOEROS-CRAIPNDOSA-N 1 1 401.511 0.498 20 0 HCADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463785832 1075812814 /nfs/dbraw/zinc/81/28/14/1075812814.db2.gz XLOGUWSZCOEROS-MAUKXSAKSA-N 1 1 401.511 0.498 20 0 HCADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463785835 1075812800 /nfs/dbraw/zinc/81/28/00/1075812800.db2.gz XLOGUWSZCOEROS-QAPCUYQASA-N 1 1 401.511 0.498 20 0 HCADMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463785839 1075812764 /nfs/dbraw/zinc/81/27/64/1075812764.db2.gz XLOGUWSZCOEROS-YJBOKZPZSA-N 1 1 401.511 0.498 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)ccc12 ZINC000463785998 1075812779 /nfs/dbraw/zinc/81/27/79/1075812779.db2.gz YDMLFDXGMAIJMZ-KRWDZBQOSA-N 1 1 412.494 0.585 20 0 HCADMO Cc1nn(C)c2cc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)ccc12 ZINC000463786002 1075812755 /nfs/dbraw/zinc/81/27/55/1075812755.db2.gz YDMLFDXGMAIJMZ-QGZVFWFLSA-N 1 1 412.494 0.585 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000463786485 1080634451 /nfs/dbraw/zinc/63/44/51/1080634451.db2.gz ZKVMBKQEAUTYIK-JTQLQIEISA-N 1 1 419.429 0.865 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463786899 1075813016 /nfs/dbraw/zinc/81/30/16/1075813016.db2.gz MAOKVPFPKKDVOJ-CVEARBPZSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463786899 1075813013 /nfs/dbraw/zinc/81/30/13/1075813013.db2.gz MAOKVPFPKKDVOJ-CVEARBPZSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463786900 1075813034 /nfs/dbraw/zinc/81/30/34/1075813034.db2.gz MAOKVPFPKKDVOJ-HOTGVXAUSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463786900 1075813032 /nfs/dbraw/zinc/81/30/32/1075813032.db2.gz MAOKVPFPKKDVOJ-HOTGVXAUSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463786901 1075813054 /nfs/dbraw/zinc/81/30/54/1075813054.db2.gz MAOKVPFPKKDVOJ-HZPDHXFCSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463786901 1075813053 /nfs/dbraw/zinc/81/30/53/1075813053.db2.gz MAOKVPFPKKDVOJ-HZPDHXFCSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463786902 1075813064 /nfs/dbraw/zinc/81/30/64/1075813064.db2.gz MAOKVPFPKKDVOJ-JKSUJKDBSA-N 1 1 401.511 0.498 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463786902 1075813063 /nfs/dbraw/zinc/81/30/63/1075813063.db2.gz MAOKVPFPKKDVOJ-JKSUJKDBSA-N 1 1 401.511 0.498 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)c2)nn1 ZINC000463787897 1075813252 /nfs/dbraw/zinc/81/32/52/1075813252.db2.gz CQSBEUPBQDJPKQ-INIZCTEOSA-N 1 1 412.450 0.688 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)c2)nn1 ZINC000463787898 1075813262 /nfs/dbraw/zinc/81/32/62/1075813262.db2.gz CQSBEUPBQDJPKQ-MRXNPFEDSA-N 1 1 412.450 0.688 20 0 HCADMO CN(C(=O)CCCOc1cccnc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000463788454 1075808162 /nfs/dbraw/zinc/80/81/62/1075808162.db2.gz JMCVNJSFDFGYFD-UHFFFAOYSA-N 1 1 417.554 0.937 20 0 HCADMO CN(C(=O)[C@H]1CCc2c[nH]nc2C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000463788580 1075808174 /nfs/dbraw/zinc/80/81/74/1075808174.db2.gz KLUBALBIFBSUBN-INIZCTEOSA-N 1 1 402.543 0.211 20 0 HCADMO CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000463788581 1075808153 /nfs/dbraw/zinc/80/81/53/1075808153.db2.gz KLUBALBIFBSUBN-MRXNPFEDSA-N 1 1 402.543 0.211 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463791917 1075808850 /nfs/dbraw/zinc/80/88/50/1075808850.db2.gz XFWSNRXXNZWBRG-KRWDZBQOSA-N 1 1 422.551 0.188 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463791918 1075808921 /nfs/dbraw/zinc/80/89/21/1075808921.db2.gz XFWSNRXXNZWBRG-QGZVFWFLSA-N 1 1 422.551 0.188 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)c2)nn1 ZINC000463792800 1075809118 /nfs/dbraw/zinc/80/91/18/1075809118.db2.gz BFYLEYVNMZCAID-CYBMUJFWSA-N 1 1 400.439 0.545 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)c2)nn1 ZINC000463792801 1075809077 /nfs/dbraw/zinc/80/90/77/1075809077.db2.gz BFYLEYVNMZCAID-ZDUSSCGKSA-N 1 1 400.439 0.545 20 0 HCADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792872 1075809083 /nfs/dbraw/zinc/80/90/83/1075809083.db2.gz CAADHELGRWSUIU-IBGZPJMESA-N 1 1 415.538 0.890 20 0 HCADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463792873 1075809331 /nfs/dbraw/zinc/80/93/31/1075809331.db2.gz CAADHELGRWSUIU-LJQANCHMSA-N 1 1 415.538 0.890 20 0 HCADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463798116 1075810864 /nfs/dbraw/zinc/81/08/64/1075810864.db2.gz IYCLEMFNTOONOW-UHFFFAOYSA-N 1 1 412.494 0.611 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)c2)nn1 ZINC000463798289 1075817040 /nfs/dbraw/zinc/81/70/40/1075817040.db2.gz LOHRSDRGLHGHNQ-AWEZNQCLSA-N 1 1 414.466 0.793 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)c2)nn1 ZINC000463798291 1075817102 /nfs/dbraw/zinc/81/71/02/1075817102.db2.gz LOHRSDRGLHGHNQ-CQSZACIVSA-N 1 1 414.466 0.793 20 0 HCADMO CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000463798554 1075817048 /nfs/dbraw/zinc/81/70/48/1075817048.db2.gz SXYOQKJMSKDGCB-UHFFFAOYSA-N 1 1 400.439 0.547 20 0 HCADMO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000463798703 1075816887 /nfs/dbraw/zinc/81/68/87/1075816887.db2.gz NBOWOFNTAJCKNM-HNNXBMFYSA-N 1 1 412.556 0.895 20 0 HCADMO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000463798705 1075816870 /nfs/dbraw/zinc/81/68/70/1075816870.db2.gz NBOWOFNTAJCKNM-OAHLLOKOSA-N 1 1 412.556 0.895 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463799782 1075817296 /nfs/dbraw/zinc/81/72/96/1075817296.db2.gz XWPKCVQNSNCNET-APWZRJJASA-N 1 1 415.538 0.888 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463799788 1075817288 /nfs/dbraw/zinc/81/72/88/1075817288.db2.gz XWPKCVQNSNCNET-LPHOPBHVSA-N 1 1 415.538 0.888 20 0 HCADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@@H]1C ZINC000463799789 1075817353 /nfs/dbraw/zinc/81/73/53/1075817353.db2.gz XWPKCVQNSNCNET-QFBILLFUSA-N 1 1 415.538 0.888 20 0 HCADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C[C@H]1C ZINC000463799790 1075817362 /nfs/dbraw/zinc/81/73/62/1075817362.db2.gz XWPKCVQNSNCNET-VQIMIIECSA-N 1 1 415.538 0.888 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463800606 1075817797 /nfs/dbraw/zinc/81/77/97/1075817797.db2.gz ULISIOKGXJEJPF-KRWDZBQOSA-N 1 1 401.511 0.357 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463800607 1075817833 /nfs/dbraw/zinc/81/78/33/1075817833.db2.gz ULISIOKGXJEJPF-QGZVFWFLSA-N 1 1 401.511 0.357 20 0 HCADMO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463801439 1075813507 /nfs/dbraw/zinc/81/35/07/1075813507.db2.gz WDSXLZIDVNNDRL-UHFFFAOYSA-N 1 1 411.524 0.565 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802403 1075813676 /nfs/dbraw/zinc/81/36/76/1075813676.db2.gz HPJVFKBJLUYKFI-CRAIPNDOSA-N 1 1 401.511 0.356 20 0 HCADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802405 1075813741 /nfs/dbraw/zinc/81/37/41/1075813741.db2.gz HPJVFKBJLUYKFI-MAUKXSAKSA-N 1 1 401.511 0.356 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802407 1075813662 /nfs/dbraw/zinc/81/36/62/1075813662.db2.gz HPJVFKBJLUYKFI-QAPCUYQASA-N 1 1 401.511 0.356 20 0 HCADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463802409 1075813668 /nfs/dbraw/zinc/81/36/68/1075813668.db2.gz HPJVFKBJLUYKFI-YJBOKZPZSA-N 1 1 401.511 0.356 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)c2)nn1 ZINC000463802637 1075813725 /nfs/dbraw/zinc/81/37/25/1075813725.db2.gz ZDEGLUSBJXFYDI-CYBMUJFWSA-N 1 1 412.450 0.759 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)c2)nn1 ZINC000463802638 1075813698 /nfs/dbraw/zinc/81/36/98/1075813698.db2.gz ZDEGLUSBJXFYDI-ZDUSSCGKSA-N 1 1 412.450 0.759 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)c2)nn1 ZINC000463802893 1075813502 /nfs/dbraw/zinc/81/35/02/1075813502.db2.gz FNERWQHRVQFNAG-CHWSQXEVSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)c2)nn1 ZINC000463802893 1075813499 /nfs/dbraw/zinc/81/34/99/1075813499.db2.gz FNERWQHRVQFNAG-CHWSQXEVSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)c2)nn1 ZINC000463802895 1075813440 /nfs/dbraw/zinc/81/34/40/1075813440.db2.gz FNERWQHRVQFNAG-OLZOCXBDSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)c2)nn1 ZINC000463802895 1075813438 /nfs/dbraw/zinc/81/34/38/1075813438.db2.gz FNERWQHRVQFNAG-OLZOCXBDSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)c2)nn1 ZINC000463802897 1075813467 /nfs/dbraw/zinc/81/34/67/1075813467.db2.gz FNERWQHRVQFNAG-QWHCGFSZSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)c2)nn1 ZINC000463802897 1075813465 /nfs/dbraw/zinc/81/34/65/1075813465.db2.gz FNERWQHRVQFNAG-QWHCGFSZSA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)c2)nn1 ZINC000463802899 1075813492 /nfs/dbraw/zinc/81/34/92/1075813492.db2.gz FNERWQHRVQFNAG-STQMWFEESA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)c2)nn1 ZINC000463802899 1075813491 /nfs/dbraw/zinc/81/34/91/1075813491.db2.gz FNERWQHRVQFNAG-STQMWFEESA-N 1 1 400.439 0.543 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)nn1 ZINC000463803521 1075813981 /nfs/dbraw/zinc/81/39/81/1075813981.db2.gz KBTGJXNSJXQKIS-CXAGYDPISA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)c2)nn1 ZINC000463803523 1075814152 /nfs/dbraw/zinc/81/41/52/1075814152.db2.gz KBTGJXNSJXQKIS-DYVFJYSZSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)nn1 ZINC000463803525 1075814201 /nfs/dbraw/zinc/81/42/01/1075814201.db2.gz KBTGJXNSJXQKIS-GUYCJALGSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)nn1 ZINC000463803527 1075814185 /nfs/dbraw/zinc/81/41/85/1075814185.db2.gz KBTGJXNSJXQKIS-SUMWQHHRSA-N 1 1 414.466 0.791 20 0 HCADMO CCCN(C(=O)c1cn(CC(N)=O)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000463803882 1075813686 /nfs/dbraw/zinc/81/36/86/1075813686.db2.gz LPDHEXDNIZOYFS-UHFFFAOYSA-N 1 1 400.487 0.691 20 0 HCADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463804090 1075813759 /nfs/dbraw/zinc/81/37/59/1075813759.db2.gz YOPAKOZRNLZBJE-MOPGFXCFSA-N 1 1 413.522 0.642 20 0 HCADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806777 1075814838 /nfs/dbraw/zinc/81/48/38/1075814838.db2.gz SQADTXOWYQKETD-HKUYNNGSSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806778 1075814910 /nfs/dbraw/zinc/81/49/10/1075814910.db2.gz SQADTXOWYQKETD-IEBWSBKVSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806779 1075814870 /nfs/dbraw/zinc/81/48/70/1075814870.db2.gz SQADTXOWYQKETD-MJGOQNOKSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463806780 1075814857 /nfs/dbraw/zinc/81/48/57/1075814857.db2.gz SQADTXOWYQKETD-PKOBYXMFSA-N 1 1 413.522 0.500 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463807202 1075814821 /nfs/dbraw/zinc/81/48/21/1075814821.db2.gz QNCUEAIJVUJLAW-GOSISDBHSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463807202 1075814819 /nfs/dbraw/zinc/81/48/19/1075814819.db2.gz QNCUEAIJVUJLAW-GOSISDBHSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1C ZINC000463807203 1075814899 /nfs/dbraw/zinc/81/48/99/1075814899.db2.gz QNCUEAIJVUJLAW-SFHVURJKSA-N 1 1 401.511 0.356 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1C ZINC000463807203 1075814898 /nfs/dbraw/zinc/81/48/98/1075814898.db2.gz QNCUEAIJVUJLAW-SFHVURJKSA-N 1 1 401.511 0.356 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808016 1075815165 /nfs/dbraw/zinc/81/51/65/1075815165.db2.gz MZNLCSBCDSFYAL-APWZRJJASA-N 1 1 415.538 0.746 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808017 1075815137 /nfs/dbraw/zinc/81/51/37/1075815137.db2.gz MZNLCSBCDSFYAL-LPHOPBHVSA-N 1 1 415.538 0.746 20 0 HCADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000463808018 1075815157 /nfs/dbraw/zinc/81/51/57/1075815157.db2.gz MZNLCSBCDSFYAL-QFBILLFUSA-N 1 1 415.538 0.746 20 0 HCADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000463808019 1075815122 /nfs/dbraw/zinc/81/51/22/1075815122.db2.gz MZNLCSBCDSFYAL-VQIMIIECSA-N 1 1 415.538 0.746 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)c2)nn1 ZINC000463810516 1075816405 /nfs/dbraw/zinc/81/64/05/1075816405.db2.gz ZIUPYTSGYQAXAR-KRWDZBQOSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)c2)nn1 ZINC000463810516 1075816401 /nfs/dbraw/zinc/81/64/01/1075816401.db2.gz ZIUPYTSGYQAXAR-KRWDZBQOSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)c2)nn1 ZINC000463810518 1075816442 /nfs/dbraw/zinc/81/64/42/1075816442.db2.gz ZIUPYTSGYQAXAR-QGZVFWFLSA-N 1 1 414.466 0.791 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)c2)nn1 ZINC000463810518 1075816441 /nfs/dbraw/zinc/81/64/41/1075816441.db2.gz ZIUPYTSGYQAXAR-QGZVFWFLSA-N 1 1 414.466 0.791 20 0 HCADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@@H]21 ZINC000463810647 1075816230 /nfs/dbraw/zinc/81/62/30/1075816230.db2.gz UDEXZCXEWVWMCV-HKUYNNGSSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@H]21 ZINC000463810648 1075816174 /nfs/dbraw/zinc/81/61/74/1075816174.db2.gz UDEXZCXEWVWMCV-IEBWSBKVSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@@H]21 ZINC000463810649 1075816225 /nfs/dbraw/zinc/81/62/25/1075816225.db2.gz UDEXZCXEWVWMCV-MJGOQNOKSA-N 1 1 413.522 0.500 20 0 HCADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)CC[C@H]21 ZINC000463810650 1075816221 /nfs/dbraw/zinc/81/62/21/1075816221.db2.gz UDEXZCXEWVWMCV-PKOBYXMFSA-N 1 1 413.522 0.500 20 0 HCADMO COc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)cc(NS(C)(=O)=O)c1OC ZINC000463820266 1075819166 /nfs/dbraw/zinc/81/91/66/1075819166.db2.gz XGPIHVAHNAWSEC-UHFFFAOYSA-N 1 1 415.512 0.916 20 0 HCADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463822551 1075819563 /nfs/dbraw/zinc/81/95/63/1075819563.db2.gz DEQTZZUHQMVFDP-INIZCTEOSA-N 1 1 403.527 0.794 20 0 HCADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463826311 1075820752 /nfs/dbraw/zinc/82/07/52/1075820752.db2.gz IVRBIOMZCFJHIU-SFHVURJKSA-N 1 1 401.511 0.548 20 0 HCADMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 ZINC000463827078 1075820497 /nfs/dbraw/zinc/82/04/97/1075820497.db2.gz LGCSIXDMIZYRBY-INIZCTEOSA-N 1 1 414.466 0.983 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)[C@H](C)C1 ZINC000463829373 1075821619 /nfs/dbraw/zinc/82/16/19/1075821619.db2.gz IRJBAYFUHDGFDK-CYBMUJFWSA-N 1 1 400.439 0.545 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)[C@H](C)C1 ZINC000463829373 1075821618 /nfs/dbraw/zinc/82/16/18/1075821618.db2.gz IRJBAYFUHDGFDK-CYBMUJFWSA-N 1 1 400.439 0.545 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)[C@@H](C)C1 ZINC000463829626 1075821464 /nfs/dbraw/zinc/82/14/64/1075821464.db2.gz IRJBAYFUHDGFDK-ZDUSSCGKSA-N 1 1 400.439 0.545 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)[C@@H](C)C1 ZINC000463829626 1075821463 /nfs/dbraw/zinc/82/14/63/1075821463.db2.gz IRJBAYFUHDGFDK-ZDUSSCGKSA-N 1 1 400.439 0.545 20 0 HCADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463831118 1075817743 /nfs/dbraw/zinc/81/77/43/1075817743.db2.gz MOHVSJWNVAVTEL-MRXNPFEDSA-N 1 1 403.527 0.794 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c2)nn1 ZINC000463833106 1075818260 /nfs/dbraw/zinc/81/82/60/1075818260.db2.gz DHPVBUUKGQFFEI-ZDUSSCGKSA-N 1 1 402.455 0.837 20 0 HCADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000463835197 1075822754 /nfs/dbraw/zinc/82/27/54/1075822754.db2.gz DETGJYRDRZVRGY-HNNXBMFYSA-N 1 1 409.508 0.130 20 0 HCADMO NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000463835198 1075822827 /nfs/dbraw/zinc/82/28/27/1075822827.db2.gz DETGJYRDRZVRGY-OAHLLOKOSA-N 1 1 409.508 0.130 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c2)nn1 ZINC000463835218 1075822797 /nfs/dbraw/zinc/82/27/97/1075822797.db2.gz DHPVBUUKGQFFEI-CYBMUJFWSA-N 1 1 402.455 0.837 20 0 HCADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463836389 1075823191 /nfs/dbraw/zinc/82/31/91/1075823191.db2.gz MOHVSJWNVAVTEL-INIZCTEOSA-N 1 1 403.527 0.794 20 0 HCADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463847574 1075822070 /nfs/dbraw/zinc/82/20/70/1075822070.db2.gz DEQTZZUHQMVFDP-MRXNPFEDSA-N 1 1 403.527 0.794 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000463857482 1075829416 /nfs/dbraw/zinc/82/94/16/1075829416.db2.gz RBGLKIVYFMJSFT-PMACEKPBSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000463857482 1075829413 /nfs/dbraw/zinc/82/94/13/1075829413.db2.gz RBGLKIVYFMJSFT-PMACEKPBSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000463857483 1075829476 /nfs/dbraw/zinc/82/94/76/1075829476.db2.gz RBGLKIVYFMJSFT-UXHICEINSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000463857483 1075829473 /nfs/dbraw/zinc/82/94/73/1075829473.db2.gz RBGLKIVYFMJSFT-UXHICEINSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000463857484 1075829469 /nfs/dbraw/zinc/82/94/69/1075829469.db2.gz RBGLKIVYFMJSFT-VQTJNVASSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000463857484 1075829468 /nfs/dbraw/zinc/82/94/68/1075829468.db2.gz RBGLKIVYFMJSFT-VQTJNVASSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000463857485 1075829432 /nfs/dbraw/zinc/82/94/32/1075829432.db2.gz RBGLKIVYFMJSFT-WOJBJXKFSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000463857485 1075829429 /nfs/dbraw/zinc/82/94/29/1075829429.db2.gz RBGLKIVYFMJSFT-WOJBJXKFSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000463858680 1075829879 /nfs/dbraw/zinc/82/98/79/1075829879.db2.gz ITFKPDCOPWXZMT-PMACEKPBSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000463858681 1075829951 /nfs/dbraw/zinc/82/99/51/1075829951.db2.gz ITFKPDCOPWXZMT-UXHICEINSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000463858682 1075829967 /nfs/dbraw/zinc/82/99/67/1075829967.db2.gz ITFKPDCOPWXZMT-VQTJNVASSA-N 1 1 411.568 0.511 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000463858683 1075829912 /nfs/dbraw/zinc/82/99/12/1075829912.db2.gz ITFKPDCOPWXZMT-WOJBJXKFSA-N 1 1 411.568 0.511 20 0 HCADMO C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)CCCN3CCOCC3)CC2)CC1 ZINC000463858918 1075829666 /nfs/dbraw/zinc/82/96/66/1075829666.db2.gz VJMSNHBBMNUYMU-UHFFFAOYSA-N 1 1 402.605 0.388 20 0 HCADMO CO[C@@](C)(CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000463864304 1075825744 /nfs/dbraw/zinc/82/57/44/1075825744.db2.gz JVIMKUUOIBHFLU-NRFANRHFSA-N 1 1 402.495 0.944 20 0 HCADMO CO[C@](C)(CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000463864305 1075825697 /nfs/dbraw/zinc/82/56/97/1075825697.db2.gz JVIMKUUOIBHFLU-OAQYLSRUSA-N 1 1 402.495 0.944 20 0 HCADMO COCCN(CC[NH+](C)C)C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463871470 1075835138 /nfs/dbraw/zinc/83/51/38/1075835138.db2.gz APZSXMSWNOSDDY-UHFFFAOYSA-N 1 1 403.501 0.726 20 0 HCADMO CO[C@](C)(CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000463871806 1075835125 /nfs/dbraw/zinc/83/51/25/1075835125.db2.gz ZFDAHGMSBHTKBS-JOCHJYFZSA-N 1 1 416.522 0.873 20 0 HCADMO CO[C@@](C)(CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000463871807 1075835161 /nfs/dbraw/zinc/83/51/61/1075835161.db2.gz ZFDAHGMSBHTKBS-QFIPXVFZSA-N 1 1 416.522 0.873 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000463873563 1075830670 /nfs/dbraw/zinc/83/06/70/1075830670.db2.gz SDSZEKGXXHJOTB-FQEVSTJZSA-N 1 1 411.568 0.785 20 0 HCADMO O=S(=O)(CCCN1CCOCC1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000463873564 1075830943 /nfs/dbraw/zinc/83/09/43/1075830943.db2.gz SDSZEKGXXHJOTB-HXUWFJFHSA-N 1 1 411.568 0.785 20 0 HCADMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463875115 1075830914 /nfs/dbraw/zinc/83/09/14/1075830914.db2.gz LUXMJHGYBZJWCG-AWEZNQCLSA-N 1 1 415.512 0.916 20 0 HCADMO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463875115 1075830912 /nfs/dbraw/zinc/83/09/12/1075830912.db2.gz LUXMJHGYBZJWCG-AWEZNQCLSA-N 1 1 415.512 0.916 20 0 HCADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 ZINC000463875116 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PLKUTQNFDYWPSO-UHFFFAOYSA-N 1 1 423.477 0.507 20 0 HCADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3cn(CC(N)=O)nn3)CC2)c1C ZINC000463882845 1075833444 /nfs/dbraw/zinc/83/34/44/1075833444.db2.gz ZLJHFXIBWPSJJM-UHFFFAOYSA-N 1 1 415.498 0.520 20 0 HCADMO C[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)n1nnc(-c2ccccc2)n1 ZINC000463882993 1075833433 /nfs/dbraw/zinc/83/34/33/1075833433.db2.gz ZIVQBRLPNXSEFN-HNNXBMFYSA-N 1 1 423.481 0.510 20 0 HCADMO C[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)n1nnc(-c2ccccc2)n1 ZINC000463882994 1075833452 /nfs/dbraw/zinc/83/34/52/1075833452.db2.gz ZIVQBRLPNXSEFN-OAHLLOKOSA-N 1 1 423.481 0.510 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)NCCC(=O)N3CC[NH+](C)CC3)c2)nn1 ZINC000463883911 1075833636 /nfs/dbraw/zinc/83/36/36/1075833636.db2.gz BJYRKVLLCWXYQR-UHFFFAOYSA-N 1 1 415.454 0.340 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CCC[N@H+]([C@@H](C)CO)CC3)c2)nn1 ZINC000463902890 1075839596 /nfs/dbraw/zinc/83/95/96/1075839596.db2.gz DUIMJNMZGQVNHY-AWEZNQCLSA-N 1 1 402.455 0.974 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CCC[N@H+]([C@H](C)CO)CC3)c2)nn1 ZINC000463902891 1075839564 /nfs/dbraw/zinc/83/95/64/1075839564.db2.gz DUIMJNMZGQVNHY-CQSZACIVSA-N 1 1 402.455 0.974 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906153 1075840034 /nfs/dbraw/zinc/84/00/34/1075840034.db2.gz HIGLWQSONUAWJL-KBPBESRZSA-N 1 1 402.455 0.973 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906154 1075840006 /nfs/dbraw/zinc/84/00/06/1075840006.db2.gz HIGLWQSONUAWJL-KGLIPLIRSA-N 1 1 402.455 0.973 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2)nn1 ZINC000463906155 1075839970 /nfs/dbraw/zinc/83/99/70/1075839970.db2.gz HIGLWQSONUAWJL-UONOGXRCSA-N 1 1 402.455 0.973 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2)nn1 ZINC000463906156 1075839995 /nfs/dbraw/zinc/83/99/95/1075839995.db2.gz HIGLWQSONUAWJL-ZIAGYGMSSA-N 1 1 402.455 0.973 20 0 HCADMO C[C@](O)(CNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)C[NH+]1CCOCC1 ZINC000463912200 1075838757 /nfs/dbraw/zinc/83/87/57/1075838757.db2.gz ZWLCHBNECMEXOC-FQEVSTJZSA-N 1 1 419.482 0.726 20 0 HCADMO C[C@@](O)(CNC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)C[NH+]1CCOCC1 ZINC000463912201 1075838732 /nfs/dbraw/zinc/83/87/32/1075838732.db2.gz ZWLCHBNECMEXOC-HXUWFJFHSA-N 1 1 419.482 0.726 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)nn1 ZINC000463912859 1075839007 /nfs/dbraw/zinc/83/90/07/1075839007.db2.gz PQYLVXPEAQZXHF-IBGZPJMESA-N 1 1 418.454 0.259 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)nn1 ZINC000463912860 1075838938 /nfs/dbraw/zinc/83/89/38/1075838938.db2.gz PQYLVXPEAQZXHF-LJQANCHMSA-N 1 1 418.454 0.259 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CC1 ZINC000463924055 1075839557 /nfs/dbraw/zinc/83/95/57/1075839557.db2.gz FZWSEMGMFYMSAH-UHFFFAOYSA-N 1 1 416.482 0.807 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)c2)nn1 ZINC000463940149 1075841463 /nfs/dbraw/zinc/84/14/63/1075841463.db2.gz ZMEMDJONCWJVRK-AWEZNQCLSA-N 1 1 401.471 0.811 20 0 HCADMO COC(=O)c1cn(-c2cccc(NC(=O)N[C@H](C)C[NH+]3CCN(C)CC3)c2)nn1 ZINC000463940150 1075841434 /nfs/dbraw/zinc/84/14/34/1075841434.db2.gz ZMEMDJONCWJVRK-CQSZACIVSA-N 1 1 401.471 0.811 20 0 HCADMO CCN(C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)[C@H]1CCOC1 ZINC000463969645 1075844087 /nfs/dbraw/zinc/84/40/87/1075844087.db2.gz JPSDWTAAMMMJMG-AWEZNQCLSA-N 1 1 402.455 0.923 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@H](O)C2(C)C)CC1 ZINC000463973000 1075844465 /nfs/dbraw/zinc/84/44/65/1075844465.db2.gz GDLGLTRLVHKUTC-KRWDZBQOSA-N 1 1 402.495 0.775 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)CC1 ZINC000463973001 1075844506 /nfs/dbraw/zinc/84/45/06/1075844506.db2.gz GDLGLTRLVHKUTC-QGZVFWFLSA-N 1 1 402.495 0.775 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463973027 1075844528 /nfs/dbraw/zinc/84/45/28/1075844528.db2.gz GIHIZLGKHUBVFI-GOSISDBHSA-N 1 1 416.522 0.704 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000463973028 1075844443 /nfs/dbraw/zinc/84/44/43/1075844443.db2.gz GIHIZLGKHUBVFI-SFHVURJKSA-N 1 1 416.522 0.704 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cn1C ZINC000463973203 1075844456 /nfs/dbraw/zinc/84/44/56/1075844456.db2.gz SSUXNZRCDMBFQU-INIZCTEOSA-N 1 1 400.435 0.956 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cn1C ZINC000463973204 1075844472 /nfs/dbraw/zinc/84/44/72/1075844472.db2.gz SSUXNZRCDMBFQU-MRXNPFEDSA-N 1 1 400.435 0.956 20 0 HCADMO CCN(C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC)[C@H]1CCOC1 ZINC000463985233 1075845254 /nfs/dbraw/zinc/84/52/54/1075845254.db2.gz ZHNKCFMHKSVJAQ-INIZCTEOSA-N 1 1 418.494 0.659 20 0 HCADMO CCN(C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC)[C@@H]1CCOC1 ZINC000463985234 1075845264 /nfs/dbraw/zinc/84/52/64/1075845264.db2.gz ZHNKCFMHKSVJAQ-MRXNPFEDSA-N 1 1 418.494 0.659 20 0 HCADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986842 1075845457 /nfs/dbraw/zinc/84/54/57/1075845457.db2.gz BPUWYASYKQUSBG-GOSISDBHSA-N 1 1 407.434 0.806 20 0 HCADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000463986843 1075845420 /nfs/dbraw/zinc/84/54/20/1075845420.db2.gz BPUWYASYKQUSBG-SFHVURJKSA-N 1 1 407.434 0.806 20 0 HCADMO NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000463989369 1075845638 /nfs/dbraw/zinc/84/56/38/1075845638.db2.gz IEHXPKKXSRWHBY-KRWDZBQOSA-N 1 1 412.446 0.695 20 0 HCADMO NC(=O)COc1cccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000463989371 1075845682 /nfs/dbraw/zinc/84/56/82/1075845682.db2.gz IEHXPKKXSRWHBY-QGZVFWFLSA-N 1 1 412.446 0.695 20 0 HCADMO COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1C ZINC000463990263 1075845819 /nfs/dbraw/zinc/84/58/19/1075845819.db2.gz ORRQBVYSJIEVQX-INIZCTEOSA-N 1 1 415.450 0.508 20 0 HCADMO COC(=O)Cn1ncc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1C ZINC000463990264 1075845826 /nfs/dbraw/zinc/84/58/26/1075845826.db2.gz ORRQBVYSJIEVQX-MRXNPFEDSA-N 1 1 415.450 0.508 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000463990279 1075845851 /nfs/dbraw/zinc/84/58/51/1075845851.db2.gz OVMFBKJOLLDMRB-GOSISDBHSA-N 1 1 410.478 0.683 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000463990280 1075845839 /nfs/dbraw/zinc/84/58/39/1075845839.db2.gz OVMFBKJOLLDMRB-SFHVURJKSA-N 1 1 410.478 0.683 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000463992528 1075846623 /nfs/dbraw/zinc/84/66/23/1075846623.db2.gz NWYHJIQUMGMIRW-KRWDZBQOSA-N 1 1 402.495 0.313 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463992530 1075846646 /nfs/dbraw/zinc/84/66/46/1075846646.db2.gz NWYHJIQUMGMIRW-QGZVFWFLSA-N 1 1 402.495 0.313 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC[C@H](O)C1(C)C ZINC000463993262 1075846371 /nfs/dbraw/zinc/84/63/71/1075846371.db2.gz VQXMJTZFBIIOHQ-KRWDZBQOSA-N 1 1 418.494 0.393 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC[C@@H](O)C1(C)C ZINC000463993263 1075846419 /nfs/dbraw/zinc/84/64/19/1075846419.db2.gz VQXMJTZFBIIOHQ-QGZVFWFLSA-N 1 1 418.494 0.393 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000463995010 1075847052 /nfs/dbraw/zinc/84/70/52/1075847052.db2.gz KGZWVDCSCNXONJ-IBGZPJMESA-N 1 1 424.505 0.612 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000463995011 1075847014 /nfs/dbraw/zinc/84/70/14/1075847014.db2.gz KGZWVDCSCNXONJ-LJQANCHMSA-N 1 1 424.505 0.612 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)[C@H]1CCOC1 ZINC000463996444 1075847575 /nfs/dbraw/zinc/84/75/75/1075847575.db2.gz MVKZOOXFLYGFHF-IBGZPJMESA-N 1 1 416.522 0.969 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)[C@@H]1CCOC1 ZINC000463996445 1075847519 /nfs/dbraw/zinc/84/75/19/1075847519.db2.gz MVKZOOXFLYGFHF-LJQANCHMSA-N 1 1 416.522 0.969 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[C@@H]1CCOC1 ZINC000463996957 1075847765 /nfs/dbraw/zinc/84/77/65/1075847765.db2.gz PKWXHFKAEKJWHC-GOSISDBHSA-N 1 1 404.511 0.889 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000463996958 1075847746 /nfs/dbraw/zinc/84/77/46/1075847746.db2.gz PKWXHFKAEKJWHC-SFHVURJKSA-N 1 1 404.511 0.889 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C3(C)C)cc2)CC1 ZINC000463997228 1075847547 /nfs/dbraw/zinc/84/75/47/1075847547.db2.gz QAMZLEBMNKJAQW-GOSISDBHSA-N 1 1 404.511 0.623 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC[C@H](O)C3(C)C)cc2)CC1 ZINC000463997229 1075847508 /nfs/dbraw/zinc/84/75/08/1075847508.db2.gz QAMZLEBMNKJAQW-SFHVURJKSA-N 1 1 404.511 0.623 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1 ZINC000464005675 1075848914 /nfs/dbraw/zinc/84/89/14/1075848914.db2.gz MCDNQXIEKWVVKE-UHFFFAOYSA-N 1 1 400.545 0.293 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000464011162 1075849656 /nfs/dbraw/zinc/84/96/56/1075849656.db2.gz LYHAALIFTJEXHK-GOSISDBHSA-N 1 1 402.495 0.579 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000464011163 1075849677 /nfs/dbraw/zinc/84/96/77/1075849677.db2.gz LYHAALIFTJEXHK-SFHVURJKSA-N 1 1 402.495 0.579 20 0 HCADMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)cc2)c1C ZINC000464013844 1075850255 /nfs/dbraw/zinc/85/02/55/1075850255.db2.gz RBTIUNVOMBXZOM-UHFFFAOYSA-N 1 1 409.450 1.351 20 0 HCADMO CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1C ZINC000464016200 1075850674 /nfs/dbraw/zinc/85/06/74/1075850674.db2.gz BJAIZJKGMDIKFR-UHFFFAOYSA-N 1 1 409.450 1.317 20 0 HCADMO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000464020133 1075853107 /nfs/dbraw/zinc/85/31/07/1075853107.db2.gz PATLRNSXMDFMCM-GOSISDBHSA-N 1 1 418.494 0.277 20 0 HCADMO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000464020135 1075853042 /nfs/dbraw/zinc/85/30/42/1075853042.db2.gz PATLRNSXMDFMCM-SFHVURJKSA-N 1 1 418.494 0.277 20 0 HCADMO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000464021227 1075853229 /nfs/dbraw/zinc/85/32/29/1075853229.db2.gz HUDMUHZXTCABAT-IBGZPJMESA-N 1 1 405.495 0.764 20 0 HCADMO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000464021228 1075853302 /nfs/dbraw/zinc/85/33/02/1075853302.db2.gz HUDMUHZXTCABAT-LJQANCHMSA-N 1 1 405.495 0.764 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCS(=O)(=O)C(C)(C)C3)cc2)CC1 ZINC000464025117 1075854030 /nfs/dbraw/zinc/85/40/30/1075854030.db2.gz PNMANHHMEQVGDN-UHFFFAOYSA-N 1 1 422.551 0.793 20 0 HCADMO Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000464034357 1075852663 /nfs/dbraw/zinc/85/26/63/1075852663.db2.gz UNUULQYNWKCCBQ-UHFFFAOYSA-N 1 1 419.570 0.814 20 0 HCADMO Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000464046255 1075857159 /nfs/dbraw/zinc/85/71/59/1075857159.db2.gz JFEZQFIHUICISJ-UHFFFAOYSA-N 1 1 403.527 0.930 20 0 HCADMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2cn(C)c(=O)n(C)c2=O)cn1 ZINC000464051971 1075855712 /nfs/dbraw/zinc/85/57/12/1075855712.db2.gz WMPZABDWKVSKQU-MSOLQXFVSA-N 1 1 422.489 0.672 20 0 HCADMO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)Cc2ccccc2C1 ZINC000464078839 1075861607 /nfs/dbraw/zinc/86/16/07/1075861607.db2.gz ZSYYBYONCGMDBQ-UHFFFAOYSA-N 1 1 415.515 0.775 20 0 HCADMO O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000464100011 1075862767 /nfs/dbraw/zinc/86/27/67/1075862767.db2.gz DKLXDCWOFOQJHQ-GOSISDBHSA-N 1 1 407.434 0.806 20 0 HCADMO O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000464100012 1075862783 /nfs/dbraw/zinc/86/27/83/1075862783.db2.gz DKLXDCWOFOQJHQ-SFHVURJKSA-N 1 1 407.434 0.806 20 0 HCADMO COc1c(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cccc1C(N)=O ZINC000464102798 1075864708 /nfs/dbraw/zinc/86/47/08/1075864708.db2.gz BLCZNKPBMDERAZ-HNNXBMFYSA-N 1 1 412.446 0.938 20 0 HCADMO COc1c(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cccc1C(N)=O ZINC000464102799 1075864949 /nfs/dbraw/zinc/86/49/49/1075864949.db2.gz BLCZNKPBMDERAZ-OAHLLOKOSA-N 1 1 412.446 0.938 20 0 HCADMO COc1ncc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1C(N)=O ZINC000464106557 1075865739 /nfs/dbraw/zinc/86/57/39/1075865739.db2.gz WTRWQUGXMOGCAP-HNNXBMFYSA-N 1 1 413.434 0.333 20 0 HCADMO COc1ncc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1C(N)=O ZINC000464106558 1075865982 /nfs/dbraw/zinc/86/59/82/1075865982.db2.gz WTRWQUGXMOGCAP-OAHLLOKOSA-N 1 1 413.434 0.333 20 0 HCADMO NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000464108009 1075866249 /nfs/dbraw/zinc/86/62/49/1075866249.db2.gz NNRGNCJBXBUPRJ-KRWDZBQOSA-N 1 1 412.446 0.695 20 0 HCADMO NC(=O)COc1ccc(NC(=O)C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000464108010 1075866235 /nfs/dbraw/zinc/86/62/35/1075866235.db2.gz NNRGNCJBXBUPRJ-QGZVFWFLSA-N 1 1 412.446 0.695 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@H](CO)C3)cc2)CC1 ZINC000464111307 1075866749 /nfs/dbraw/zinc/86/67/49/1075866749.db2.gz PCFNMZIIFDWZNI-HNNXBMFYSA-N 1 1 424.448 0.489 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@@H](CO)C3)cc2)CC1 ZINC000464111308 1075866693 /nfs/dbraw/zinc/86/66/93/1075866693.db2.gz PCFNMZIIFDWZNI-OAHLLOKOSA-N 1 1 424.448 0.489 20 0 HCADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000464112495 1075866736 /nfs/dbraw/zinc/86/67/36/1075866736.db2.gz DUVFFCCEPYIGIG-HNNXBMFYSA-N 1 1 414.466 0.695 20 0 HCADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000464112496 1075866716 /nfs/dbraw/zinc/86/67/16/1075866716.db2.gz DUVFFCCEPYIGIG-OAHLLOKOSA-N 1 1 414.466 0.695 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000464114053 1075867179 /nfs/dbraw/zinc/86/71/79/1075867179.db2.gz LTHLCCIGVFJCMZ-IBGZPJMESA-N 1 1 410.522 0.768 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2=O)n(C)n1 ZINC000464114062 1075867224 /nfs/dbraw/zinc/86/72/24/1075867224.db2.gz LTHLCCIGVFJCMZ-LJQANCHMSA-N 1 1 410.522 0.768 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)cc21 ZINC000464114205 1075867200 /nfs/dbraw/zinc/86/72/00/1075867200.db2.gz BYMVKAMOESIDHI-HNNXBMFYSA-N 1 1 422.445 0.806 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)cc21 ZINC000464114206 1075867144 /nfs/dbraw/zinc/86/71/44/1075867144.db2.gz BYMVKAMOESIDHI-OAHLLOKOSA-N 1 1 422.445 0.806 20 0 HCADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCCF)c2)CC1 ZINC000464119083 1075864530 /nfs/dbraw/zinc/86/45/30/1075864530.db2.gz WJMVPVPYKQEDQI-UHFFFAOYSA-N 1 1 414.503 0.817 20 0 HCADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCCF)c2)CC1 ZINC000464119083 1075864528 /nfs/dbraw/zinc/86/45/28/1075864528.db2.gz WJMVPVPYKQEDQI-UHFFFAOYSA-N 1 1 414.503 0.817 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120228 1075864504 /nfs/dbraw/zinc/86/45/04/1075864504.db2.gz DGAGPZOHEXVVPA-BBWFWOEESA-N 1 1 416.526 0.283 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120229 1075864565 /nfs/dbraw/zinc/86/45/65/1075864565.db2.gz DGAGPZOHEXVVPA-BRWVUGGUSA-N 1 1 416.526 0.283 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120230 1075864555 /nfs/dbraw/zinc/86/45/55/1075864555.db2.gz DGAGPZOHEXVVPA-GVDBMIGSSA-N 1 1 416.526 0.283 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1=O ZINC000464120231 1075864509 /nfs/dbraw/zinc/86/45/09/1075864509.db2.gz DGAGPZOHEXVVPA-ZACQAIPSSA-N 1 1 416.526 0.283 20 0 HCADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000464122491 1075868361 /nfs/dbraw/zinc/86/83/61/1075868361.db2.gz MUCPPTUQZHHFQS-HNNXBMFYSA-N 1 1 415.450 0.741 20 0 HCADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000464122492 1075868388 /nfs/dbraw/zinc/86/83/88/1075868388.db2.gz MUCPPTUQZHHFQS-OAHLLOKOSA-N 1 1 415.450 0.741 20 0 HCADMO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000464127713 1075869700 /nfs/dbraw/zinc/86/97/00/1075869700.db2.gz YYOXXAAYXLEEIG-OAHLLOKOSA-N 1 1 415.450 0.741 20 0 HCADMO CC(C)N(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000464128439 1075869497 /nfs/dbraw/zinc/86/94/97/1075869497.db2.gz OZUYBDXINMATBV-IBGZPJMESA-N 1 1 416.522 0.968 20 0 HCADMO CC(C)N(C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000464128440 1075869446 /nfs/dbraw/zinc/86/94/46/1075869446.db2.gz OZUYBDXINMATBV-LJQANCHMSA-N 1 1 416.522 0.968 20 0 HCADMO CCN(C[C@H](C)OC)C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000464153689 1075870375 /nfs/dbraw/zinc/87/03/75/1075870375.db2.gz WVKZQADXWYAIKB-HNNXBMFYSA-N 1 1 420.510 0.905 20 0 HCADMO CCN(C[C@@H](C)OC)C(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000464153692 1075870400 /nfs/dbraw/zinc/87/04/00/1075870400.db2.gz WVKZQADXWYAIKB-OAHLLOKOSA-N 1 1 420.510 0.905 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165719 1075872718 /nfs/dbraw/zinc/87/27/18/1075872718.db2.gz FCGAXLHLTRDKJB-DLBZAZTESA-N 1 1 402.495 0.500 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165725 1075872667 /nfs/dbraw/zinc/87/26/67/1075872667.db2.gz FCGAXLHLTRDKJB-IAGOWNOFSA-N 1 1 402.495 0.500 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165726 1075872706 /nfs/dbraw/zinc/87/27/06/1075872706.db2.gz FCGAXLHLTRDKJB-IRXDYDNUSA-N 1 1 402.495 0.500 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2cccc(OCC(N)=O)c2)CC1=O ZINC000464165727 1075872738 /nfs/dbraw/zinc/87/27/38/1075872738.db2.gz FCGAXLHLTRDKJB-SJORKVTESA-N 1 1 402.495 0.500 20 0 HCADMO CCN(C[C@H](C)OC)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000464169991 1075873130 /nfs/dbraw/zinc/87/31/30/1075873130.db2.gz NUHMFWIMUUBBEU-INIZCTEOSA-N 1 1 404.511 0.825 20 0 HCADMO CCN(C[C@@H](C)OC)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000464169992 1075873147 /nfs/dbraw/zinc/87/31/47/1075873147.db2.gz NUHMFWIMUUBBEU-MRXNPFEDSA-N 1 1 404.511 0.825 20 0 HCADMO C[C@H](O)CN(C)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000464171778 1075873539 /nfs/dbraw/zinc/87/35/39/1075873539.db2.gz UZJGPNXPTXHFTH-ZDUSSCGKSA-N 1 1 410.446 0.264 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215244 1075878324 /nfs/dbraw/zinc/87/83/24/1075878324.db2.gz AZNNQGSNIGAPOL-KRWDZBQOSA-N 1 1 421.517 0.620 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000464215245 1075878389 /nfs/dbraw/zinc/87/83/89/1075878389.db2.gz AZNNQGSNIGAPOL-QGZVFWFLSA-N 1 1 421.517 0.620 20 0 HCADMO CCC1(CC)CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CCS1(=O)=O ZINC000464220144 1075880832 /nfs/dbraw/zinc/88/08/32/1075880832.db2.gz UBBQNBHUOTWPON-UHFFFAOYSA-N 1 1 418.604 0.375 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCS(=O)(=O)CC3)c2)C1 ZINC000464229194 1075879633 /nfs/dbraw/zinc/87/96/33/1075879633.db2.gz GPCPYBIYBQXOTF-KRWDZBQOSA-N 1 1 408.524 0.324 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCS(=O)(=O)CC3)c2)C1 ZINC000464229195 1075879665 /nfs/dbraw/zinc/87/96/65/1075879665.db2.gz GPCPYBIYBQXOTF-QGZVFWFLSA-N 1 1 408.524 0.324 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)cnc21 ZINC000464230765 1075880046 /nfs/dbraw/zinc/88/00/46/1075880046.db2.gz KZOPOZSBWJQIBO-DZGCQCFKSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C[C@H](C)O)[C@H](CC)C3)cnc21 ZINC000464230765 1075880045 /nfs/dbraw/zinc/88/00/45/1075880045.db2.gz KZOPOZSBWJQIBO-DZGCQCFKSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C3)cnc21 ZINC000464230766 1075880019 /nfs/dbraw/zinc/88/00/19/1075880019.db2.gz KZOPOZSBWJQIBO-HIFRSBDPSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](CC)C3)cnc21 ZINC000464230766 1075880015 /nfs/dbraw/zinc/88/00/15/1075880015.db2.gz KZOPOZSBWJQIBO-HIFRSBDPSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](CC)C3)cnc21 ZINC000464230767 1075879998 /nfs/dbraw/zinc/87/99/98/1075879998.db2.gz KZOPOZSBWJQIBO-UKRRQHHQSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](CC)C3)cnc21 ZINC000464230767 1075879995 /nfs/dbraw/zinc/87/99/95/1075879995.db2.gz KZOPOZSBWJQIBO-UKRRQHHQSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](CC)C3)cnc21 ZINC000464230768 1075880057 /nfs/dbraw/zinc/88/00/57/1075880057.db2.gz KZOPOZSBWJQIBO-ZFWWWQNUSA-N 1 1 403.483 0.824 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](CC)C3)cnc21 ZINC000464230768 1075880056 /nfs/dbraw/zinc/88/00/56/1075880056.db2.gz KZOPOZSBWJQIBO-ZFWWWQNUSA-N 1 1 403.483 0.824 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249711 1075883482 /nfs/dbraw/zinc/88/34/82/1075883482.db2.gz JZVVJGDCDVZCQU-INIZCTEOSA-N 1 1 414.572 0.717 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 ZINC000464249712 1075883458 /nfs/dbraw/zinc/88/34/58/1075883458.db2.gz JZVVJGDCDVZCQU-MRXNPFEDSA-N 1 1 414.572 0.717 20 0 HCADMO CCC1(CC)CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253528 1075881818 /nfs/dbraw/zinc/88/18/18/1075881818.db2.gz VPIGKINAXZWCKY-HNNXBMFYSA-N 1 1 402.561 0.573 20 0 HCADMO CCC1(CC)CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCS1(=O)=O ZINC000464253529 1075882019 /nfs/dbraw/zinc/88/20/19/1075882019.db2.gz VPIGKINAXZWCKY-OAHLLOKOSA-N 1 1 402.561 0.573 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000464317845 1075889734 /nfs/dbraw/zinc/88/97/34/1075889734.db2.gz KCGYYSFSOKNGAA-MOPGFXCFSA-N 1 1 408.543 0.023 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000464317849 1075889696 /nfs/dbraw/zinc/88/96/96/1075889696.db2.gz KCGYYSFSOKNGAA-RTBURBONSA-N 1 1 408.543 0.023 20 0 HCADMO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464338386 1075889875 /nfs/dbraw/zinc/88/98/75/1075889875.db2.gz FRZOHXHQLAZBRO-AWEZNQCLSA-N 1 1 422.507 0.623 20 0 HCADMO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464338387 1075889863 /nfs/dbraw/zinc/88/98/63/1075889863.db2.gz 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411.524 0.612 20 0 HCADMO COC(=O)[C@H](C)CS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000465395506 1077358184 /nfs/dbraw/zinc/35/81/84/1077358184.db2.gz AXKIHAAMNOCRMW-RHSMWYFYSA-N 1 1 411.524 0.612 20 0 HCADMO COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000465395507 1077358280 /nfs/dbraw/zinc/35/82/80/1077358280.db2.gz AXKIHAAMNOCRMW-WMLDXEAASA-N 1 1 411.524 0.612 20 0 HCADMO COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000465395508 1077358200 /nfs/dbraw/zinc/35/82/00/1077358200.db2.gz AXKIHAAMNOCRMW-YOEHRIQHSA-N 1 1 411.524 0.612 20 0 HCADMO COc1ccccc1N1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000465397784 1077373840 /nfs/dbraw/zinc/37/38/40/1077373840.db2.gz FOENFRQWAUQJRP-FOIQADDNSA-N 1 1 406.483 0.183 20 0 HCADMO COc1ccccc1N1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000465397794 1077374162 /nfs/dbraw/zinc/37/41/62/1077374162.db2.gz FOENFRQWAUQJRP-MGPUTAFESA-N 1 1 406.483 0.183 20 0 HCADMO 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CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000465544313 1078221944 /nfs/dbraw/zinc/22/19/44/1078221944.db2.gz OGTKXAGJBIVEIY-UHFFFAOYSA-N 1 1 424.590 0.173 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)CC1 ZINC000465544943 1078214593 /nfs/dbraw/zinc/21/45/93/1078214593.db2.gz PGPKLJPBDCXSOG-SFHVURJKSA-N 1 1 414.510 0.335 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CC1 ZINC000465545756 1078230311 /nfs/dbraw/zinc/23/03/11/1078230311.db2.gz QLJYOTRSYHBGHB-UHFFFAOYSA-N 1 1 417.539 0.733 20 0 HCADMO C[C@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000465546791 1078306920 /nfs/dbraw/zinc/30/69/20/1078306920.db2.gz LAYCIOUIJAJIDX-DLBZAZTESA-N 1 1 424.571 0.315 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000465546792 1078306988 /nfs/dbraw/zinc/30/69/88/1078306988.db2.gz LAYCIOUIJAJIDX-IAGOWNOFSA-N 1 1 424.571 0.315 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C 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0.707 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000465550760 1078673545 /nfs/dbraw/zinc/67/35/45/1078673545.db2.gz XGTSQXVRTZBDPK-UHFFFAOYSA-N 1 1 405.474 0.390 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000465551683 1078875357 /nfs/dbraw/zinc/87/53/57/1078875357.db2.gz YJVYRCSKDGMAFA-UHFFFAOYSA-N 1 1 402.561 0.632 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000465551942 1078871970 /nfs/dbraw/zinc/87/19/70/1078871970.db2.gz SWFQCGANRVELSK-KRWDZBQOSA-N 1 1 417.558 0.286 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000465551943 1078871939 /nfs/dbraw/zinc/87/19/39/1078871939.db2.gz SWFQCGANRVELSK-QGZVFWFLSA-N 1 1 417.558 0.286 20 0 HCADMO C[C@](O)(CNC(=O)NCc1ccccc1CN1CCCC1=O)C[NH+]1CCOCC1 ZINC000465552168 1078955553 /nfs/dbraw/zinc/95/55/53/1078955553.db2.gz YSRLCAMUMPIILN-NRFANRHFSA-N 1 1 404.511 0.691 20 0 HCADMO C[C@@](O)(CNC(=O)NCc1ccccc1CN1CCCC1=O)C[NH+]1CCOCC1 ZINC000465552169 1078955811 /nfs/dbraw/zinc/95/58/11/1078955811.db2.gz YSRLCAMUMPIILN-OAQYLSRUSA-N 1 1 404.511 0.691 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000465552311 1078902731 /nfs/dbraw/zinc/90/27/31/1078902731.db2.gz XTOPXNSXCDQMQJ-KRWDZBQOSA-N 1 1 417.510 0.176 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000465552312 1078902663 /nfs/dbraw/zinc/90/26/63/1078902663.db2.gz XTOPXNSXCDQMQJ-QGZVFWFLSA-N 1 1 417.510 0.176 20 0 HCADMO CCc1nsc(N2CCCN(C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000465552386 1078927513 /nfs/dbraw/zinc/92/75/13/1078927513.db2.gz VQNCNUZWUIFSHK-UHFFFAOYSA-N 1 1 409.560 0.486 20 0 HCADMO C[C@H](CNC(=O)NC[C@@](C)(O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552817 1078903094 /nfs/dbraw/zinc/90/30/94/1078903094.db2.gz VEMVZGYCPRAPTG-DENIHFKCSA-N 1 1 419.570 0.580 20 0 HCADMO C[C@H](CNC(=O)NC[C@](C)(O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552818 1078903282 /nfs/dbraw/zinc/90/32/82/1078903282.db2.gz VEMVZGYCPRAPTG-KNQAVFIVSA-N 1 1 419.570 0.580 20 0 HCADMO C[C@@H](CNC(=O)NC[C@@](C)(O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552819 1078903192 /nfs/dbraw/zinc/90/31/92/1078903192.db2.gz VEMVZGYCPRAPTG-SIKLNZKXSA-N 1 1 419.570 0.580 20 0 HCADMO C[C@@H](CNC(=O)NC[C@](C)(O)CN1CCOCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000465552820 1078903258 /nfs/dbraw/zinc/90/32/58/1078903258.db2.gz VEMVZGYCPRAPTG-UGKGYDQZSA-N 1 1 419.570 0.580 20 0 HCADMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000465554863 1079035772 /nfs/dbraw/zinc/03/57/72/1079035772.db2.gz VIKQUMYHTSDXKC-IBGZPJMESA-N 1 1 417.554 0.992 20 0 HCADMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000465554864 1079035857 /nfs/dbraw/zinc/03/58/57/1079035857.db2.gz VIKQUMYHTSDXKC-LJQANCHMSA-N 1 1 417.554 0.992 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](CO)Cc2ccc(OC)c(O)c2)CC1 ZINC000465555061 1079122597 /nfs/dbraw/zinc/12/25/97/1079122597.db2.gz ZMYLAXVHQGFSAD-HNNXBMFYSA-N 1 1 408.499 0.061 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](CO)Cc2ccc(OC)c(O)c2)CC1 ZINC000465555062 1079124830 /nfs/dbraw/zinc/12/48/30/1079124830.db2.gz ZMYLAXVHQGFSAD-OAHLLOKOSA-N 1 1 408.499 0.061 20 0 HCADMO COc1ccc(C[C@H](CO)CNC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1O ZINC000465555543 1079167546 /nfs/dbraw/zinc/16/75/46/1079167546.db2.gz KMEVLZRCKWRZDL-KRWDZBQOSA-N 1 1 408.543 0.877 20 0 HCADMO COc1ccc(C[C@@H](CO)CNC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1O ZINC000465555544 1079167584 /nfs/dbraw/zinc/16/75/84/1079167584.db2.gz KMEVLZRCKWRZDL-QGZVFWFLSA-N 1 1 408.543 0.877 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)N3CCc4nn(C)c(=O)cc4C3)cc2)CC1 ZINC000465556014 1079236704 /nfs/dbraw/zinc/23/67/04/1079236704.db2.gz NKHMTCKAPOALQW-UHFFFAOYSA-N 1 1 410.522 0.796 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561230 1078855294 /nfs/dbraw/zinc/85/52/94/1078855294.db2.gz BWAJEOQWBHLDDB-CVEARBPZSA-N 1 1 411.572 0.968 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561232 1078855355 /nfs/dbraw/zinc/85/53/55/1078855355.db2.gz BWAJEOQWBHLDDB-HOTGVXAUSA-N 1 1 411.572 0.968 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561234 1078855280 /nfs/dbraw/zinc/85/52/80/1078855280.db2.gz BWAJEOQWBHLDDB-HZPDHXFCSA-N 1 1 411.572 0.968 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000465561236 1078855377 /nfs/dbraw/zinc/85/53/77/1078855377.db2.gz BWAJEOQWBHLDDB-JKSUJKDBSA-N 1 1 411.572 0.968 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562087 1078870004 /nfs/dbraw/zinc/87/00/04/1078870004.db2.gz DFHARSMQDMLKHT-KRWDZBQOSA-N 1 1 411.572 0.538 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000465562088 1078869912 /nfs/dbraw/zinc/86/99/12/1078869912.db2.gz DFHARSMQDMLKHT-QGZVFWFLSA-N 1 1 411.572 0.538 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564040 1079023678 /nfs/dbraw/zinc/02/36/78/1079023678.db2.gz DHLNYSKBUQQZJS-KRWDZBQOSA-N 1 1 405.543 0.998 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCNC(=O)c2cccc(OC)c2)CC1 ZINC000465564041 1079023490 /nfs/dbraw/zinc/02/34/90/1079023490.db2.gz DHLNYSKBUQQZJS-QGZVFWFLSA-N 1 1 405.543 0.998 20 0 HCADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000465564371 1078994742 /nfs/dbraw/zinc/99/47/42/1078994742.db2.gz HRWYDPBRGWSBJK-INIZCTEOSA-N 1 1 403.593 0.373 20 0 HCADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000465564372 1078994580 /nfs/dbraw/zinc/99/45/80/1078994580.db2.gz HRWYDPBRGWSBJK-MRXNPFEDSA-N 1 1 403.593 0.373 20 0 HCADMO O=C(NCCCOC1CCOCC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000465565133 1079028838 /nfs/dbraw/zinc/02/88/38/1079028838.db2.gz JGDWLDUTFOJCBM-UHFFFAOYSA-N 1 1 406.531 0.874 20 0 HCADMO C[C@H]1C[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000465565602 1079026237 /nfs/dbraw/zinc/02/62/37/1079026237.db2.gz DXJHCBFSXJTVAJ-DOTOQJQBSA-N 1 1 410.540 0.989 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000465565604 1079026324 /nfs/dbraw/zinc/02/63/24/1079026324.db2.gz DXJHCBFSXJTVAJ-NVXWUHKLSA-N 1 1 410.540 0.989 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000465565606 1079026208 /nfs/dbraw/zinc/02/62/08/1079026208.db2.gz DXJHCBFSXJTVAJ-RDJZCZTQSA-N 1 1 410.540 0.989 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000465565608 1079026247 /nfs/dbraw/zinc/02/62/47/1079026247.db2.gz DXJHCBFSXJTVAJ-WBVHZDCISA-N 1 1 410.540 0.989 20 0 HCADMO CC(C)C[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000465566012 1079028852 /nfs/dbraw/zinc/02/88/52/1079028852.db2.gz GBBMFEIQVZGCNS-KRWDZBQOSA-N 1 1 406.531 0.359 20 0 HCADMO CC(C)C[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000465566013 1079028941 /nfs/dbraw/zinc/02/89/41/1079028941.db2.gz GBBMFEIQVZGCNS-QGZVFWFLSA-N 1 1 406.531 0.359 20 0 HCADMO C[C@](O)(CNC(=O)NCCc1nccn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000465566622 1079029314 /nfs/dbraw/zinc/02/93/14/1079029314.db2.gz ICUGGQZOEJCBHN-NRFANRHFSA-N 1 1 401.511 0.856 20 0 HCADMO C[C@@](O)(CNC(=O)NCCc1nccn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000465566629 1079029553 /nfs/dbraw/zinc/02/95/53/1079029553.db2.gz ICUGGQZOEJCBHN-OAQYLSRUSA-N 1 1 401.511 0.856 20 0 HCADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000465566999 1079028028 /nfs/dbraw/zinc/02/80/28/1079028028.db2.gz IWIVHYASEMAOTO-INIZCTEOSA-N 1 1 424.567 0.761 20 0 HCADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000465567800 1079032985 /nfs/dbraw/zinc/03/29/85/1079032985.db2.gz IWIVHYASEMAOTO-MRXNPFEDSA-N 1 1 424.567 0.761 20 0 HCADMO CC(C)C[C@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000465567884 1079031712 /nfs/dbraw/zinc/03/17/12/1079031712.db2.gz JFDVIUHQHVYNSB-AEFFLSMTSA-N 1 1 406.531 0.962 20 0 HCADMO CC(C)C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000465567897 1079031725 /nfs/dbraw/zinc/03/17/25/1079031725.db2.gz JFDVIUHQHVYNSB-FUHWJXTLSA-N 1 1 406.531 0.962 20 0 HCADMO CC(C)C[C@H](CNC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000465567900 1079031817 /nfs/dbraw/zinc/03/18/17/1079031817.db2.gz JFDVIUHQHVYNSB-SJLPKXTDSA-N 1 1 406.531 0.962 20 0 HCADMO CC(C)C[C@@H](CNC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000465567901 1079031676 /nfs/dbraw/zinc/03/16/76/1079031676.db2.gz JFDVIUHQHVYNSB-WMZOPIPTSA-N 1 1 406.531 0.962 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000465568087 1079040732 /nfs/dbraw/zinc/04/07/32/1079040732.db2.gz JSQDMHFBBWDOSF-DLBZAZTESA-N 1 1 406.531 0.880 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000465568201 1079040585 /nfs/dbraw/zinc/04/05/85/1079040585.db2.gz HVCPLPAPTKUBTI-KRWDZBQOSA-N 1 1 411.572 0.456 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000465568202 1079040660 /nfs/dbraw/zinc/04/06/60/1079040660.db2.gz HVCPLPAPTKUBTI-QGZVFWFLSA-N 1 1 411.572 0.456 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000465568204 1079040793 /nfs/dbraw/zinc/04/07/93/1079040793.db2.gz HXDPLEARKDUDNZ-IBGZPJMESA-N 1 1 411.591 0.929 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000465568205 1079040638 /nfs/dbraw/zinc/04/06/38/1079040638.db2.gz HXDPLEARKDUDNZ-LJQANCHMSA-N 1 1 411.591 0.929 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000465568924 1079037623 /nfs/dbraw/zinc/03/76/23/1079037623.db2.gz JSQDMHFBBWDOSF-IAGOWNOFSA-N 1 1 406.531 0.880 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000465568928 1079037977 /nfs/dbraw/zinc/03/79/77/1079037977.db2.gz JSQDMHFBBWDOSF-IRXDYDNUSA-N 1 1 406.531 0.880 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000465568929 1079038053 /nfs/dbraw/zinc/03/80/53/1079038053.db2.gz JSQDMHFBBWDOSF-SJORKVTESA-N 1 1 406.531 0.880 20 0 HCADMO O=C(NCCNS(=O)(=O)c1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465569449 1079044163 /nfs/dbraw/zinc/04/41/63/1079044163.db2.gz NBYYLDXYFVUONU-KRWDZBQOSA-N 1 1 410.540 0.861 20 0 HCADMO O=C(NCCNS(=O)(=O)c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465569453 1079044126 /nfs/dbraw/zinc/04/41/26/1079044126.db2.gz NBYYLDXYFVUONU-QGZVFWFLSA-N 1 1 410.540 0.861 20 0 HCADMO CC(C)[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000465569508 1079045123 /nfs/dbraw/zinc/04/51/23/1079045123.db2.gz FQDBGCYYUQQISE-HKUYNNGSSA-N 1 1 408.591 0.253 20 0 HCADMO CC(C)[C@@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000465569512 1079045196 /nfs/dbraw/zinc/04/51/96/1079045196.db2.gz FQDBGCYYUQQISE-IEBWSBKVSA-N 1 1 408.591 0.253 20 0 HCADMO CC(C)[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000465569515 1079045218 /nfs/dbraw/zinc/04/52/18/1079045218.db2.gz FQDBGCYYUQQISE-MJGOQNOKSA-N 1 1 408.591 0.253 20 0 HCADMO CC(C)[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000465569518 1079045658 /nfs/dbraw/zinc/04/56/58/1079045658.db2.gz FQDBGCYYUQQISE-PKOBYXMFSA-N 1 1 408.591 0.253 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000465569862 1079044232 /nfs/dbraw/zinc/04/42/32/1079044232.db2.gz SMASEUBSYAMPOQ-DLBZAZTESA-N 1 1 405.547 0.405 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000465569865 1079044269 /nfs/dbraw/zinc/04/42/69/1079044269.db2.gz SMASEUBSYAMPOQ-IAGOWNOFSA-N 1 1 405.547 0.405 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000465569867 1079044076 /nfs/dbraw/zinc/04/40/76/1079044076.db2.gz SMASEUBSYAMPOQ-IRXDYDNUSA-N 1 1 405.547 0.405 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC000465569869 1079044205 /nfs/dbraw/zinc/04/42/05/1079044205.db2.gz SMASEUBSYAMPOQ-SJORKVTESA-N 1 1 405.547 0.405 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000465571034 1079058261 /nfs/dbraw/zinc/05/82/61/1079058261.db2.gz MPLBVVBWPKXKCE-FQEVSTJZSA-N 1 1 401.515 0.300 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000465571035 1079058348 /nfs/dbraw/zinc/05/83/48/1079058348.db2.gz MPLBVVBWPKXKCE-HXUWFJFHSA-N 1 1 401.515 0.300 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000465571134 1079057925 /nfs/dbraw/zinc/05/79/25/1079057925.db2.gz MHLFMMWARNPWDY-GOSISDBHSA-N 1 1 403.527 0.745 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000465571135 1079057757 /nfs/dbraw/zinc/05/77/57/1079057757.db2.gz MHLFMMWARNPWDY-SFHVURJKSA-N 1 1 403.527 0.745 20 0 HCADMO COCCOC[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000465571456 1079056181 /nfs/dbraw/zinc/05/61/81/1079056181.db2.gz WSGPLHUFVOZMOL-GOSISDBHSA-N 1 1 406.531 0.683 20 0 HCADMO COCCOC[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000465571459 1079056225 /nfs/dbraw/zinc/05/62/25/1079056225.db2.gz WSGPLHUFVOZMOL-SFHVURJKSA-N 1 1 406.531 0.683 20 0 HCADMO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)CCO2)n1 ZINC000465573174 1079080606 /nfs/dbraw/zinc/08/06/06/1079080606.db2.gz ZRUSTSLBUWECSJ-MOPGFXCFSA-N 1 1 407.563 0.577 20 0 HCADMO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)CCO2)n1 ZINC000465573189 1079080575 /nfs/dbraw/zinc/08/05/75/1079080575.db2.gz ZRUSTSLBUWECSJ-OALUTQOASA-N 1 1 407.563 0.577 20 0 HCADMO Cc1nc(C)n(C[C@@H]2CN(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CCO2)n1 ZINC000465573191 1079080441 /nfs/dbraw/zinc/08/04/41/1079080441.db2.gz ZRUSTSLBUWECSJ-RBUKOAKNSA-N 1 1 407.563 0.577 20 0 HCADMO Cc1nc(C)n(C[C@H]2CN(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)CCO2)n1 ZINC000465573193 1079080477 /nfs/dbraw/zinc/08/04/77/1079080477.db2.gz ZRUSTSLBUWECSJ-RTBURBONSA-N 1 1 407.563 0.577 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000465574979 1079080971 /nfs/dbraw/zinc/08/09/71/1079080971.db2.gz TUTVJTXNKUYCOP-IBGZPJMESA-N 1 1 410.607 0.454 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000465574980 1079080914 /nfs/dbraw/zinc/08/09/14/1079080914.db2.gz TUTVJTXNKUYCOP-LJQANCHMSA-N 1 1 410.607 0.454 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(Cc2ccon2)CC1 ZINC000465575792 1079094973 /nfs/dbraw/zinc/09/49/73/1079094973.db2.gz RNGJBRPUBFLEJR-UHFFFAOYSA-N 1 1 414.514 0.504 20 0 HCADMO C[C@](O)(CNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)C[NH+]1CCOCC1 ZINC000465576130 1079122956 /nfs/dbraw/zinc/12/29/56/1079122956.db2.gz SDXJTIOSQBUCPS-NRFANRHFSA-N 1 1 422.501 0.813 20 0 HCADMO C[C@@](O)(CNC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)C[NH+]1CCOCC1 ZINC000465576131 1079123024 /nfs/dbraw/zinc/12/30/24/1079123024.db2.gz SDXJTIOSQBUCPS-OAQYLSRUSA-N 1 1 422.501 0.813 20 0 HCADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000465576884 1079123053 /nfs/dbraw/zinc/12/30/53/1079123053.db2.gz NUNFVNCLUPYPJR-KRWDZBQOSA-N 1 1 417.620 0.763 20 0 HCADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000465576886 1079122946 /nfs/dbraw/zinc/12/29/46/1079122946.db2.gz NUNFVNCLUPYPJR-QGZVFWFLSA-N 1 1 417.620 0.763 20 0 HCADMO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CC[NH+](C)CC1 ZINC000465577254 1079227343 /nfs/dbraw/zinc/22/73/43/1079227343.db2.gz NXXIRQOGFYMNPD-DLBZAZTESA-N 1 1 405.547 0.487 20 0 HCADMO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)N1CC[NH+](C)CC1 ZINC000465577255 1079227222 /nfs/dbraw/zinc/22/72/22/1079227222.db2.gz NXXIRQOGFYMNPD-IAGOWNOFSA-N 1 1 405.547 0.487 20 0 HCADMO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)N1CC[NH+](C)CC1 ZINC000465577256 1079227277 /nfs/dbraw/zinc/22/72/77/1079227277.db2.gz NXXIRQOGFYMNPD-IRXDYDNUSA-N 1 1 405.547 0.487 20 0 HCADMO 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ZINC000465581866 1079257081 /nfs/dbraw/zinc/25/70/81/1079257081.db2.gz YYZKSZFZBMJHOF-UHFFFAOYSA-N 1 1 424.571 0.644 20 0 HCADMO CCC(CC)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000465584903 1079366366 /nfs/dbraw/zinc/36/63/66/1079366366.db2.gz IRBPSUYMNIUPEH-GOSISDBHSA-N 1 1 420.558 0.749 20 0 HCADMO CCC(CC)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000465584904 1079366385 /nfs/dbraw/zinc/36/63/85/1079366385.db2.gz IRBPSUYMNIUPEH-SFHVURJKSA-N 1 1 420.558 0.749 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000465585213 1079381482 /nfs/dbraw/zinc/38/14/82/1079381482.db2.gz MJGVOJNCLGGHOD-IBGZPJMESA-N 1 1 417.558 0.495 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000465585214 1079381466 /nfs/dbraw/zinc/38/14/66/1079381466.db2.gz MJGVOJNCLGGHOD-LJQANCHMSA-N 1 1 417.558 0.495 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588997 1079392477 /nfs/dbraw/zinc/39/24/77/1079392477.db2.gz CYDUHJHUINBLAT-INIZCTEOSA-N 1 1 411.572 0.668 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000465588998 1079392609 /nfs/dbraw/zinc/39/26/09/1079392609.db2.gz CYDUHJHUINBLAT-MRXNPFEDSA-N 1 1 411.572 0.668 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000465589070 1079451752 /nfs/dbraw/zinc/45/17/52/1079451752.db2.gz BUICCJIXEHQKKV-KRWDZBQOSA-N 1 1 410.540 0.991 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000465589071 1079452063 /nfs/dbraw/zinc/45/20/63/1079452063.db2.gz BUICCJIXEHQKKV-QGZVFWFLSA-N 1 1 410.540 0.991 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000465590103 1079452267 /nfs/dbraw/zinc/45/22/67/1079452267.db2.gz DXCAGBQUSPIIER-UHFFFAOYSA-N 1 1 410.607 0.600 20 0 HCADMO CSCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000465590250 1079455808 /nfs/dbraw/zinc/45/58/08/1079455808.db2.gz AJPUAFKVCYJLNQ-BEFAXECRSA-N 1 1 422.555 0.906 20 0 HCADMO CSCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000465590251 1079455560 /nfs/dbraw/zinc/45/55/60/1079455560.db2.gz AJPUAFKVCYJLNQ-DNVCBOLYSA-N 1 1 422.555 0.906 20 0 HCADMO CSCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000465590252 1079455498 /nfs/dbraw/zinc/45/54/98/1079455498.db2.gz AJPUAFKVCYJLNQ-HNAYVOBHSA-N 1 1 422.555 0.906 20 0 HCADMO CSCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000465590253 1079455711 /nfs/dbraw/zinc/45/57/11/1079455711.db2.gz AJPUAFKVCYJLNQ-KXBFYZLASA-N 1 1 422.555 0.906 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000465600982 1079480741 /nfs/dbraw/zinc/48/07/41/1079480741.db2.gz MBWFIRTZIDCXTH-KRWDZBQOSA-N 1 1 405.547 0.551 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000465600985 1079480716 /nfs/dbraw/zinc/48/07/16/1079480716.db2.gz MBWFIRTZIDCXTH-QGZVFWFLSA-N 1 1 405.547 0.551 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000465603328 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ZINC000465629525 1080225368 /nfs/dbraw/zinc/22/53/68/1080225368.db2.gz KZNQTQALFVFGPO-NRFANRHFSA-N 1 1 406.527 0.401 20 0 HCADMO C[C@@](O)(CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)CN1CCOCC1 ZINC000465629573 1080225384 /nfs/dbraw/zinc/22/53/84/1080225384.db2.gz KZNQTQALFVFGPO-OAQYLSRUSA-N 1 1 406.527 0.401 20 0 HCADMO COCCNS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000465629858 1080222869 /nfs/dbraw/zinc/22/28/69/1080222869.db2.gz JGMOBRXTWZXQCO-SJORKVTESA-N 1 1 410.540 0.989 20 0 HCADMO CN(C)C(=O)COc1cccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465635564 1080233722 /nfs/dbraw/zinc/23/37/22/1080233722.db2.gz KAHRQPSETONSBI-FQEVSTJZSA-N 1 1 408.499 0.036 20 0 HCADMO CN(C)C(=O)COc1cccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465635565 1080233576 /nfs/dbraw/zinc/23/35/76/1080233576.db2.gz KAHRQPSETONSBI-HXUWFJFHSA-N 1 1 408.499 0.036 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646804 1080241898 /nfs/dbraw/zinc/24/18/98/1080241898.db2.gz SLRBWXDHJYUCAT-KRWDZBQOSA-N 1 1 407.563 0.344 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000465646805 1080242098 /nfs/dbraw/zinc/24/20/98/1080242098.db2.gz SLRBWXDHJYUCAT-QGZVFWFLSA-N 1 1 407.563 0.344 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648591 1080244434 /nfs/dbraw/zinc/24/44/34/1080244434.db2.gz IQXVXTJIHLMOGT-KRWDZBQOSA-N 1 1 405.543 0.998 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000465648692 1080244386 /nfs/dbraw/zinc/24/43/86/1080244386.db2.gz IQXVXTJIHLMOGT-QGZVFWFLSA-N 1 1 405.543 0.998 20 0 HCADMO C[C@@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000465654593 1080245763 /nfs/dbraw/zinc/24/57/63/1080245763.db2.gz CBSAGYXGSFSXOT-KRWDZBQOSA-N 1 1 411.572 0.289 20 0 HCADMO C[C@H](CNC(=O)NCCS(=O)(=O)NCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000465654594 1080245844 /nfs/dbraw/zinc/24/58/44/1080245844.db2.gz CBSAGYXGSFSXOT-QGZVFWFLSA-N 1 1 411.572 0.289 20 0 HCADMO 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1080371859 /nfs/dbraw/zinc/37/18/59/1080371859.db2.gz OIDOHQINVBIPBF-QGZVFWFLSA-N 1 1 405.499 0.293 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465848251 1080371990 /nfs/dbraw/zinc/37/19/90/1080371990.db2.gz YHIFJTULVOWLNW-CVEARBPZSA-N 1 1 411.572 0.838 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465848255 1080371826 /nfs/dbraw/zinc/37/18/26/1080371826.db2.gz YHIFJTULVOWLNW-HOTGVXAUSA-N 1 1 411.572 0.838 20 0 HCADMO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465848261 1080372011 /nfs/dbraw/zinc/37/20/11/1080372011.db2.gz YHIFJTULVOWLNW-HZPDHXFCSA-N 1 1 411.572 0.838 20 0 HCADMO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000465848265 1080372149 /nfs/dbraw/zinc/37/21/49/1080372149.db2.gz YHIFJTULVOWLNW-JKSUJKDBSA-N 1 1 411.572 0.838 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465858992 1080428970 /nfs/dbraw/zinc/42/89/70/1080428970.db2.gz UVNRAYGACHJKFH-KBXCAEBGSA-N 1 1 414.528 0.038 20 0 HCADMO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465858993 1080429244 /nfs/dbraw/zinc/42/92/44/1080429244.db2.gz UVNRAYGACHJKFH-KDOFPFPSSA-N 1 1 414.528 0.038 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465858994 1080430160 /nfs/dbraw/zinc/43/01/60/1080430160.db2.gz UVNRAYGACHJKFH-KSSFIOAISA-N 1 1 414.528 0.038 20 0 HCADMO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000465858995 1080430411 /nfs/dbraw/zinc/43/04/11/1080430411.db2.gz UVNRAYGACHJKFH-RDTXWAMCSA-N 1 1 414.528 0.038 20 0 HCADMO COc1ccc(C[C@H](CO)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1O ZINC000465860239 1080434507 /nfs/dbraw/zinc/43/45/07/1080434507.db2.gz CMGLXGVRCLPYAH-INIZCTEOSA-N 1 1 422.526 0.404 20 0 HCADMO COc1ccc(C[C@@H](CO)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1O ZINC000465860240 1080434591 /nfs/dbraw/zinc/43/45/91/1080434591.db2.gz CMGLXGVRCLPYAH-MRXNPFEDSA-N 1 1 422.526 0.404 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC000465861548 1080441335 /nfs/dbraw/zinc/44/13/35/1080441335.db2.gz FBDOMPSVPWPBNE-UHFFFAOYSA-N 1 1 419.501 0.732 20 0 HCADMO CCc1nsc(N2CCN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)n1 ZINC000465862209 1080437018 /nfs/dbraw/zinc/43/70/18/1080437018.db2.gz FUUGCAHYXYWFIW-UHFFFAOYSA-N 1 1 409.560 0.485 20 0 HCADMO C[C@](O)(CNC(=O)NCCCC(=O)N1CCc2ccccc21)C[NH+]1CCOCC1 ZINC000465866969 1080447968 /nfs/dbraw/zinc/44/79/68/1080447968.db2.gz CCEDJGLJJKUKGY-NRFANRHFSA-N 1 1 404.511 0.738 20 0 HCADMO C[C@@](O)(CNC(=O)NCCCC(=O)N1CCc2ccccc21)C[NH+]1CCOCC1 ZINC000465866970 1080447999 /nfs/dbraw/zinc/44/79/99/1080447999.db2.gz CCEDJGLJJKUKGY-OAQYLSRUSA-N 1 1 404.511 0.738 20 0 HCADMO C[C@@](O)(CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000465868785 1080450736 /nfs/dbraw/zinc/45/07/36/1080450736.db2.gz LDEDIZSWTXTMAO-AUUYWEPGSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@@](O)(CNC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000465868787 1080451003 /nfs/dbraw/zinc/45/10/03/1080451003.db2.gz LDEDIZSWTXTMAO-IFXJQAMLSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@](O)(CNC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000465868788 1080450719 /nfs/dbraw/zinc/45/07/19/1080450719.db2.gz LDEDIZSWTXTMAO-KUHUBIRLSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@](O)(CNC(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)C[NH+]1CCOCC1 ZINC000465868790 1080450952 /nfs/dbraw/zinc/45/09/52/1080450952.db2.gz LDEDIZSWTXTMAO-LIRRHRJNSA-N 1 1 410.902 0.828 20 0 HCADMO CCOC(=O)c1cnc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)s1 ZINC000465871250 1080454151 /nfs/dbraw/zinc/45/41/51/1080454151.db2.gz GCVYCYUIVHHNRH-AWEZNQCLSA-N 1 1 410.544 0.397 20 0 HCADMO CCOC(=O)c1cnc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)s1 ZINC000465871251 1080454278 /nfs/dbraw/zinc/45/42/78/1080454278.db2.gz GCVYCYUIVHHNRH-CQSZACIVSA-N 1 1 410.544 0.397 20 0 HCADMO Cc1nsc(N2CCCN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)n1 ZINC000465872043 1080455838 /nfs/dbraw/zinc/45/58/38/1080455838.db2.gz OHLABSQPKQXFDC-UHFFFAOYSA-N 1 1 409.560 0.621 20 0 HCADMO C[C@@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000465873935 1080457818 /nfs/dbraw/zinc/45/78/18/1080457818.db2.gz WZEJSTDZXGAGAS-INIZCTEOSA-N 1 1 412.556 0.652 20 0 HCADMO C[C@H](CNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CC[NH+](C)CC1 ZINC000465873936 1080457932 /nfs/dbraw/zinc/45/79/32/1080457932.db2.gz WZEJSTDZXGAGAS-MRXNPFEDSA-N 1 1 412.556 0.652 20 0 HCADMO CCc1nsc(N2CCCN(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)n1 ZINC000465873999 1080457721 /nfs/dbraw/zinc/45/77/21/1080457721.db2.gz IPVCSGUBVWCQSP-UHFFFAOYSA-N 1 1 423.587 0.875 20 0 HCADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465875623 1080463535 /nfs/dbraw/zinc/46/35/35/1080463535.db2.gz SSISKROUSUIRDU-KRWDZBQOSA-N 1 1 402.561 0.602 20 0 HCADMO O=C(NCCS(=O)(=O)NCC1CCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465875624 1080464090 /nfs/dbraw/zinc/46/40/90/1080464090.db2.gz SSISKROUSUIRDU-QGZVFWFLSA-N 1 1 402.561 0.602 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000465875796 1080463557 /nfs/dbraw/zinc/46/35/57/1080463557.db2.gz MJZXKQKLNSBJAE-UHFFFAOYSA-N 1 1 403.527 0.783 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@](C)(O)CN3CCOCC3)CC2)oc1C ZINC000465879936 1080465400 /nfs/dbraw/zinc/46/54/00/1080465400.db2.gz QZYJVGPHEGBRHE-NRFANRHFSA-N 1 1 423.558 0.886 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@](C)(O)CN3CCOCC3)CC2)oc1C ZINC000465879937 1080465111 /nfs/dbraw/zinc/46/51/11/1080465111.db2.gz QZYJVGPHEGBRHE-OAQYLSRUSA-N 1 1 423.558 0.886 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880179 1080464925 /nfs/dbraw/zinc/46/49/25/1080464925.db2.gz WCAFHTAVYXXUSE-INIZCTEOSA-N 1 1 403.593 0.279 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000465880180 1080465150 /nfs/dbraw/zinc/46/51/50/1080465150.db2.gz WCAFHTAVYXXUSE-MRXNPFEDSA-N 1 1 403.593 0.279 20 0 HCADMO C[C@](O)(CNC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)C[NH+]1CCOCC1 ZINC000465880306 1080465237 /nfs/dbraw/zinc/46/52/37/1080465237.db2.gz RKBBMZCASAEIIH-BEFAXECRSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@@](O)(CNC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)C[NH+]1CCOCC1 ZINC000465880307 1080464958 /nfs/dbraw/zinc/46/49/58/1080464958.db2.gz RKBBMZCASAEIIH-DNVCBOLYSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@@](O)(CNC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)C[NH+]1CCOCC1 ZINC000465880308 1080465436 /nfs/dbraw/zinc/46/54/36/1080465436.db2.gz RKBBMZCASAEIIH-HNAYVOBHSA-N 1 1 410.902 0.828 20 0 HCADMO C[C@](O)(CNC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)C[NH+]1CCOCC1 ZINC000465880309 1080465028 /nfs/dbraw/zinc/46/50/28/1080465028.db2.gz RKBBMZCASAEIIH-KXBFYZLASA-N 1 1 410.902 0.828 20 0 HCADMO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000465882859 1080468429 /nfs/dbraw/zinc/46/84/29/1080468429.db2.gz XTHJCHHWGILOKS-GOSISDBHSA-N 1 1 405.543 0.597 20 0 HCADMO COCCNC(=O)CN1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000465882860 1080468542 /nfs/dbraw/zinc/46/85/42/1080468542.db2.gz XTHJCHHWGILOKS-SFHVURJKSA-N 1 1 405.543 0.597 20 0 HCADMO C[C@](O)(CNC(=O)NCCCC(=O)N1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000465883049 1080468388 /nfs/dbraw/zinc/46/83/88/1080468388.db2.gz YOXFFHRFVFYSLX-NRFANRHFSA-N 1 1 404.511 0.691 20 0 HCADMO C[C@@](O)(CNC(=O)NCCCC(=O)N1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000465883050 1080468367 /nfs/dbraw/zinc/46/83/67/1080468367.db2.gz YOXFFHRFVFYSLX-OAQYLSRUSA-N 1 1 404.511 0.691 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000465883792 1080473010 /nfs/dbraw/zinc/47/30/10/1080473010.db2.gz BVOGQLDBVLZBGC-GOSISDBHSA-N 1 1 401.511 0.986 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000465883793 1080472845 /nfs/dbraw/zinc/47/28/45/1080472845.db2.gz BVOGQLDBVLZBGC-SFHVURJKSA-N 1 1 401.511 0.986 20 0 HCADMO C[C@](O)(CNC(=O)NCCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000465884153 1080472858 /nfs/dbraw/zinc/47/28/58/1080472858.db2.gz FHCFOYPMFPJCRN-NRFANRHFSA-N 1 1 418.494 0.445 20 0 HCADMO C[C@@](O)(CNC(=O)NCCCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCOCC1 ZINC000465884156 1080473040 /nfs/dbraw/zinc/47/30/40/1080473040.db2.gz FHCFOYPMFPJCRN-OAQYLSRUSA-N 1 1 418.494 0.445 20 0 HCADMO Cc1[nH+]ccn1CCCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465884883 1080476268 /nfs/dbraw/zinc/47/62/68/1080476268.db2.gz GTJHNSZGFCMDHK-INIZCTEOSA-N 1 1 401.533 0.759 20 0 HCADMO Cc1[nH+]ccn1CCCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465884884 1080476265 /nfs/dbraw/zinc/47/62/65/1080476265.db2.gz GTJHNSZGFCMDHK-MRXNPFEDSA-N 1 1 401.533 0.759 20 0 HCADMO CC[C@@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885444 1080479258 /nfs/dbraw/zinc/47/92/58/1080479258.db2.gz CUEYYAKEUQJWSP-CRAIPNDOSA-N 1 1 411.572 0.968 20 0 HCADMO CC[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885448 1080479561 /nfs/dbraw/zinc/47/95/61/1080479561.db2.gz CUEYYAKEUQJWSP-MAUKXSAKSA-N 1 1 411.572 0.968 20 0 HCADMO CC[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885449 1080479312 /nfs/dbraw/zinc/47/93/12/1080479312.db2.gz CUEYYAKEUQJWSP-QAPCUYQASA-N 1 1 411.572 0.968 20 0 HCADMO CC[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000465885450 1080479349 /nfs/dbraw/zinc/47/93/49/1080479349.db2.gz CUEYYAKEUQJWSP-YJBOKZPZSA-N 1 1 411.572 0.968 20 0 HCADMO C[C@@](O)(CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000465887743 1080480332 /nfs/dbraw/zinc/48/03/32/1080480332.db2.gz IEWSHEPQKURVIC-IFMALSPDSA-N 1 1 404.555 0.933 20 0 HCADMO C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000465887744 1080480311 /nfs/dbraw/zinc/48/03/11/1080480311.db2.gz IEWSHEPQKURVIC-IRLDBZIGSA-N 1 1 404.555 0.933 20 0 HCADMO C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000465887745 1080480173 /nfs/dbraw/zinc/48/01/73/1080480173.db2.gz IEWSHEPQKURVIC-RBBKRZOGSA-N 1 1 404.555 0.933 20 0 HCADMO C[C@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CN1CCOCC1 ZINC000465887746 1080480126 /nfs/dbraw/zinc/48/01/26/1080480126.db2.gz IEWSHEPQKURVIC-UNMCSNQZSA-N 1 1 404.555 0.933 20 0 HCADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000465889415 1080484682 /nfs/dbraw/zinc/48/46/82/1080484682.db2.gz NDLMVINJAGOZKS-DLBZAZTESA-N 1 1 404.577 0.848 20 0 HCADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 ZINC000465889416 1080484638 /nfs/dbraw/zinc/48/46/38/1080484638.db2.gz NDLMVINJAGOZKS-IAGOWNOFSA-N 1 1 404.577 0.848 20 0 HCADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000465889417 1080484464 /nfs/dbraw/zinc/48/44/64/1080484464.db2.gz NDLMVINJAGOZKS-IRXDYDNUSA-N 1 1 404.577 0.848 20 0 HCADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 ZINC000465889418 1080484691 /nfs/dbraw/zinc/48/46/91/1080484691.db2.gz NDLMVINJAGOZKS-SJORKVTESA-N 1 1 404.577 0.848 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000465890371 1080485858 /nfs/dbraw/zinc/48/58/58/1080485858.db2.gz KBDQXRIKKQYJGE-GOSISDBHSA-N 1 1 407.946 0.982 20 0 HCADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000465890372 1080486036 /nfs/dbraw/zinc/48/60/36/1080486036.db2.gz KBDQXRIKKQYJGE-SFHVURJKSA-N 1 1 407.946 0.982 20 0 HCADMO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)n1 ZINC000465893779 1080492381 /nfs/dbraw/zinc/49/23/81/1080492381.db2.gz NOPIDYJIPYWUIL-CVEARBPZSA-N 1 1 409.535 0.240 20 0 HCADMO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)n1 ZINC000465893781 1080492661 /nfs/dbraw/zinc/49/26/61/1080492661.db2.gz NOPIDYJIPYWUIL-HOTGVXAUSA-N 1 1 409.535 0.240 20 0 HCADMO CCO[C@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)n1 ZINC000465893783 1080492208 /nfs/dbraw/zinc/49/22/08/1080492208.db2.gz NOPIDYJIPYWUIL-HZPDHXFCSA-N 1 1 409.535 0.240 20 0 HCADMO CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)n1 ZINC000465893785 1080492480 /nfs/dbraw/zinc/49/24/80/1080492480.db2.gz NOPIDYJIPYWUIL-JKSUJKDBSA-N 1 1 409.535 0.240 20 0 HCADMO CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465894081 1080491473 /nfs/dbraw/zinc/49/14/73/1080491473.db2.gz NCRLXFUWLNNNFW-AEFFLSMTSA-N 1 1 414.528 0.168 20 0 HCADMO CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465894082 1080491627 /nfs/dbraw/zinc/49/16/27/1080491627.db2.gz NCRLXFUWLNNNFW-FUHWJXTLSA-N 1 1 414.528 0.168 20 0 HCADMO CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465894083 1080491437 /nfs/dbraw/zinc/49/14/37/1080491437.db2.gz NCRLXFUWLNNNFW-SJLPKXTDSA-N 1 1 414.528 0.168 20 0 HCADMO CC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465894084 1080491267 /nfs/dbraw/zinc/49/12/67/1080491267.db2.gz NCRLXFUWLNNNFW-WMZOPIPTSA-N 1 1 414.528 0.168 20 0 HCADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CC(=O)NCCOC)CC2)C1 ZINC000465896337 1080498165 /nfs/dbraw/zinc/49/81/65/1080498165.db2.gz QHEPWZLICNUGDU-GOSISDBHSA-N 1 1 411.591 0.977 20 0 HCADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(CC(=O)NCCOC)CC2)C1 ZINC000465897114 1080497853 /nfs/dbraw/zinc/49/78/53/1080497853.db2.gz QHEPWZLICNUGDU-SFHVURJKSA-N 1 1 411.591 0.977 20 0 HCADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465899064 1080502140 /nfs/dbraw/zinc/50/21/40/1080502140.db2.gz YTAFWRRQISZOAR-DLBZAZTESA-N 1 1 404.577 0.991 20 0 HCADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000465899065 1080501873 /nfs/dbraw/zinc/50/18/73/1080501873.db2.gz YTAFWRRQISZOAR-IAGOWNOFSA-N 1 1 404.577 0.991 20 0 HCADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465899066 1080501990 /nfs/dbraw/zinc/50/19/90/1080501990.db2.gz YTAFWRRQISZOAR-IRXDYDNUSA-N 1 1 404.577 0.991 20 0 HCADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000465899067 1080502234 /nfs/dbraw/zinc/50/22/34/1080502234.db2.gz YTAFWRRQISZOAR-SJORKVTESA-N 1 1 404.577 0.991 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000465899919 1080503088 /nfs/dbraw/zinc/50/30/88/1080503088.db2.gz ZUPLPBZSFMNHKB-UHFFFAOYSA-N 1 1 417.510 0.654 20 0 HCADMO C[C@@](O)(CNC(=O)NCCNC(=O)c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000465901045 1080502549 /nfs/dbraw/zinc/50/25/49/1080502549.db2.gz BNSQSMBHZSLHQD-GOSISDBHSA-N 1 1 400.426 0.077 20 0 HCADMO C[C@](O)(CNC(=O)NCCNC(=O)c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000465901066 1080503318 /nfs/dbraw/zinc/50/33/18/1080503318.db2.gz BNSQSMBHZSLHQD-SFHVURJKSA-N 1 1 400.426 0.077 20 0 HCADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000465901897 1080503671 /nfs/dbraw/zinc/50/36/71/1080503671.db2.gz OGTVEMROCZUEEK-INIZCTEOSA-N 1 1 413.544 0.952 20 0 HCADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000465901899 1080503879 /nfs/dbraw/zinc/50/38/79/1080503879.db2.gz 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O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465905175 1080504673 /nfs/dbraw/zinc/50/46/73/1080504673.db2.gz HKZSYHXATYDTDL-MRXNPFEDSA-N 1 1 404.602 0.929 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1C(=O)CNC1=O ZINC000465905780 1080510956 /nfs/dbraw/zinc/51/09/56/1080510956.db2.gz HQFOUUKKWUTITO-INIZCTEOSA-N 1 1 402.499 0.438 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1C(=O)CNC1=O ZINC000465905790 1080510891 /nfs/dbraw/zinc/51/08/91/1080510891.db2.gz HQFOUUKKWUTITO-MRXNPFEDSA-N 1 1 402.499 0.438 20 0 HCADMO COc1cc(OC)c(CCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000465907026 1080514519 /nfs/dbraw/zinc/51/45/19/1080514519.db2.gz SHKGJSXOWSTWBH-FQEVSTJZSA-N 1 1 411.499 0.637 20 0 HCADMO COc1cc(OC)c(CCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(OC)c1 ZINC000465907027 1080514308 /nfs/dbraw/zinc/51/43/08/1080514308.db2.gz SHKGJSXOWSTWBH-HXUWFJFHSA-N 1 1 411.499 0.637 20 0 HCADMO COC[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCO1 ZINC000465911157 1080516369 /nfs/dbraw/zinc/51/63/69/1080516369.db2.gz WINRTRXGVARBIR-MOPGFXCFSA-N 1 1 404.511 0.941 20 0 HCADMO COC[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000465911158 1080516068 /nfs/dbraw/zinc/51/60/68/1080516068.db2.gz WINRTRXGVARBIR-OALUTQOASA-N 1 1 404.511 0.941 20 0 HCADMO COC[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CCO1 ZINC000465911159 1080516227 /nfs/dbraw/zinc/51/62/27/1080516227.db2.gz WINRTRXGVARBIR-RBUKOAKNSA-N 1 1 404.511 0.941 20 0 HCADMO COC[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CCO1 ZINC000465911160 1080516047 /nfs/dbraw/zinc/51/60/47/1080516047.db2.gz WINRTRXGVARBIR-RTBURBONSA-N 1 1 404.511 0.941 20 0 HCADMO O=C(NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000465912088 1080517552 /nfs/dbraw/zinc/51/75/52/1080517552.db2.gz QOOLAOHVHHYONX-INIZCTEOSA-N 1 1 420.601 0.261 20 0 HCADMO O=C(NCCS(=O)(=O)N1CCSCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000465912089 1080517426 /nfs/dbraw/zinc/51/74/26/1080517426.db2.gz QOOLAOHVHHYONX-MRXNPFEDSA-N 1 1 420.601 0.261 20 0 HCADMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000465913050 1080518673 /nfs/dbraw/zinc/51/86/73/1080518673.db2.gz UCEIUXOHWMGPIB-BEFAXECRSA-N 1 1 400.527 0.760 20 0 HCADMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000465913051 1080519609 /nfs/dbraw/zinc/51/96/09/1080519609.db2.gz UCEIUXOHWMGPIB-KXBFYZLASA-N 1 1 400.527 0.760 20 0 HCADMO CCc1cc(N2CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)C2)ncn1 ZINC000465918109 1080523173 /nfs/dbraw/zinc/52/31/73/1080523173.db2.gz GRKIJWGHLUYHRS-FXAWDEMLSA-N 1 1 406.531 0.390 20 0 HCADMO CCc1cc(N2CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)C2)ncn1 ZINC000465918110 1080523084 /nfs/dbraw/zinc/52/30/84/1080523084.db2.gz GRKIJWGHLUYHRS-PXNSSMCTSA-N 1 1 406.531 0.390 20 0 HCADMO CCc1cc(N2CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)C2)ncn1 ZINC000465918111 1080523567 /nfs/dbraw/zinc/52/35/67/1080523567.db2.gz GRKIJWGHLUYHRS-XLIONFOSSA-N 1 1 406.531 0.390 20 0 HCADMO CCc1cc(N2CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)C2)ncn1 ZINC000465918112 1080523647 /nfs/dbraw/zinc/52/36/47/1080523647.db2.gz GRKIJWGHLUYHRS-YLJYHZDGSA-N 1 1 406.531 0.390 20 0 HCADMO Cn1cc(N2CCC[C@@H](NC(=O)NCCCCN3CC[NH+](CCO)CC3)C2)cn1 ZINC000465922363 1080540111 /nfs/dbraw/zinc/54/01/11/1080540111.db2.gz HXLRYRRCNLWQSM-GOSISDBHSA-N 1 1 407.563 0.078 20 0 HCADMO Cn1cc(N2CCC[C@H](NC(=O)NCCCCN3CC[NH+](CCO)CC3)C2)cn1 ZINC000465922364 1080540226 /nfs/dbraw/zinc/54/02/26/1080540226.db2.gz HXLRYRRCNLWQSM-SFHVURJKSA-N 1 1 407.563 0.078 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000465923729 1080537366 /nfs/dbraw/zinc/53/73/66/1080537366.db2.gz NGMUVROODJFPII-UHFFFAOYSA-N 1 1 400.570 0.964 20 0 HCADMO C[C@](O)(CNC(=O)NCc1ccnc(OC2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000465924295 1080535272 /nfs/dbraw/zinc/53/52/72/1080535272.db2.gz CVKWDRAARHYLOT-FQEVSTJZSA-N 1 1 408.499 0.522 20 0 HCADMO C[C@@](O)(CNC(=O)NCc1ccnc(OC2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000465924302 1080535729 /nfs/dbraw/zinc/53/57/29/1080535729.db2.gz CVKWDRAARHYLOT-HXUWFJFHSA-N 1 1 408.499 0.522 20 0 HCADMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000465927052 1080541296 /nfs/dbraw/zinc/54/12/96/1080541296.db2.gz PPQHTDQPGLIHFQ-DOTOQJQBSA-N 1 1 412.556 0.924 20 0 HCADMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000465927053 1080541071 /nfs/dbraw/zinc/54/10/71/1080541071.db2.gz PPQHTDQPGLIHFQ-NVXWUHKLSA-N 1 1 412.556 0.924 20 0 HCADMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000465927054 1080541128 /nfs/dbraw/zinc/54/11/28/1080541128.db2.gz PPQHTDQPGLIHFQ-RDJZCZTQSA-N 1 1 412.556 0.924 20 0 HCADMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC[N@H+]1C ZINC000465927055 1080541224 /nfs/dbraw/zinc/54/12/24/1080541224.db2.gz PPQHTDQPGLIHFQ-WBVHZDCISA-N 1 1 412.556 0.924 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000465928291 1080542104 /nfs/dbraw/zinc/54/21/04/1080542104.db2.gz KJPASSYEGGXGNV-KRWDZBQOSA-N 1 1 409.556 0.321 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000465928292 1080542277 /nfs/dbraw/zinc/54/22/77/1080542277.db2.gz KJPASSYEGGXGNV-QGZVFWFLSA-N 1 1 409.556 0.321 20 0 HCADMO COCCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000465929183 1080545493 /nfs/dbraw/zinc/54/54/93/1080545493.db2.gz LFJIPUBOXAAWLW-FQEVSTJZSA-N 1 1 417.554 0.741 20 0 HCADMO COCCNC(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000465929184 1080545546 /nfs/dbraw/zinc/54/55/46/1080545546.db2.gz LFJIPUBOXAAWLW-HXUWFJFHSA-N 1 1 417.554 0.741 20 0 HCADMO CCc1cnc(N2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)CC2)s1 ZINC000465934956 1080551802 /nfs/dbraw/zinc/55/18/02/1080551802.db2.gz OSBQYWUQFQYWSS-UHFFFAOYSA-N 1 1 424.615 0.927 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936651 1080553115 /nfs/dbraw/zinc/55/31/15/1080553115.db2.gz ZWQOMOGZNKSRIK-AZUAARDMSA-N 1 1 417.554 0.870 20 0 HCADMO C[C@H]1C[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936653 1080552235 /nfs/dbraw/zinc/55/22/35/1080552235.db2.gz ZWQOMOGZNKSRIK-ICSRJNTNSA-N 1 1 417.554 0.870 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936655 1080552314 /nfs/dbraw/zinc/55/23/14/1080552314.db2.gz ZWQOMOGZNKSRIK-QUCCMNQESA-N 1 1 417.554 0.870 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C(=O)N1c1ccccc1 ZINC000465936657 1080552933 /nfs/dbraw/zinc/55/29/33/1080552933.db2.gz ZWQOMOGZNKSRIK-UYAOXDASSA-N 1 1 417.554 0.870 20 0 HCADMO CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000465943040 1080565071 /nfs/dbraw/zinc/56/50/71/1080565071.db2.gz ZAXHTSVOJLGIFZ-FQEVSTJZSA-N 1 1 417.554 0.823 20 0 HCADMO CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000465943041 1080564921 /nfs/dbraw/zinc/56/49/21/1080564921.db2.gz ZAXHTSVOJLGIFZ-HXUWFJFHSA-N 1 1 417.554 0.823 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 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SLYSQFPNZHUZFS-HNNXBMFYSA-N 1 1 411.528 0.849 20 0 HCADMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465958246 1080591442 /nfs/dbraw/zinc/59/14/42/1080591442.db2.gz SLYSQFPNZHUZFS-OAHLLOKOSA-N 1 1 411.528 0.849 20 0 HCADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958324 1080590774 /nfs/dbraw/zinc/59/07/74/1080590774.db2.gz SQIGJQYJRWUTHM-HCXYKTFWSA-N 1 1 409.575 0.857 20 0 HCADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958328 1080590963 /nfs/dbraw/zinc/59/09/63/1080590963.db2.gz SQIGJQYJRWUTHM-MKXGPGLRSA-N 1 1 409.575 0.857 20 0 HCADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000465958329 1080590733 /nfs/dbraw/zinc/59/07/33/1080590733.db2.gz SQIGJQYJRWUTHM-RDGPPVDQSA-N 1 1 409.575 0.857 20 0 HCADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000465958330 1080590677 /nfs/dbraw/zinc/59/06/77/1080590677.db2.gz SQIGJQYJRWUTHM-YRXWBPOGSA-N 1 1 409.575 0.857 20 0 HCADMO NC(=O)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC000465958612 1080592687 /nfs/dbraw/zinc/59/26/87/1080592687.db2.gz SETDODRVHWPZFW-CVEARBPZSA-N 1 1 407.490 0.356 20 0 HCADMO NC(=O)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC000465958619 1080592546 /nfs/dbraw/zinc/59/25/46/1080592546.db2.gz SETDODRVHWPZFW-HOTGVXAUSA-N 1 1 407.490 0.356 20 0 HCADMO NC(=O)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC000465958620 1080592722 /nfs/dbraw/zinc/59/27/22/1080592722.db2.gz SETDODRVHWPZFW-HZPDHXFCSA-N 1 1 407.490 0.356 20 0 HCADMO NC(=O)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC000465958622 1080592497 /nfs/dbraw/zinc/59/24/97/1080592497.db2.gz SETDODRVHWPZFW-JKSUJKDBSA-N 1 1 407.490 0.356 20 0 HCADMO Cc1[nH+]ccn1CCCCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000465959004 1080590213 /nfs/dbraw/zinc/59/02/13/1080590213.db2.gz RTTGKOOYHFWPCT-UHFFFAOYSA-N 1 1 423.543 0.858 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000465960022 1080593292 /nfs/dbraw/zinc/59/32/92/1080593292.db2.gz SKMLDAWKIHZWGK-KBPBESRZSA-N 1 1 414.453 0.591 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1 ZINC000465960049 1080592944 /nfs/dbraw/zinc/59/29/44/1080592944.db2.gz SKMLDAWKIHZWGK-KGLIPLIRSA-N 1 1 414.453 0.591 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000465960050 1080592957 /nfs/dbraw/zinc/59/29/57/1080592957.db2.gz SKMLDAWKIHZWGK-UONOGXRCSA-N 1 1 414.453 0.591 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1 ZINC000465960053 1080593086 /nfs/dbraw/zinc/59/30/86/1080593086.db2.gz SKMLDAWKIHZWGK-ZIAGYGMSSA-N 1 1 414.453 0.591 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000465960264 1080593222 /nfs/dbraw/zinc/59/32/22/1080593222.db2.gz SYPROBUOVNQEQA-PMACEKPBSA-N 1 1 417.554 0.774 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000465960268 1080592974 /nfs/dbraw/zinc/59/29/74/1080592974.db2.gz SYPROBUOVNQEQA-UXHICEINSA-N 1 1 417.554 0.774 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000465960276 1080593035 /nfs/dbraw/zinc/59/30/35/1080593035.db2.gz SYPROBUOVNQEQA-WOJBJXKFSA-N 1 1 417.554 0.774 20 0 HCADMO Cc1nc(CN2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)oc1C ZINC000465960451 1080591343 /nfs/dbraw/zinc/59/13/43/1080591343.db2.gz VCIIUCVMWWZZIP-KRWDZBQOSA-N 1 1 406.531 0.706 20 0 HCADMO Cc1nc(CN2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)oc1C ZINC000465960452 1080591206 /nfs/dbraw/zinc/59/12/06/1080591206.db2.gz VCIIUCVMWWZZIP-QGZVFWFLSA-N 1 1 406.531 0.706 20 0 HCADMO COCCCNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465961500 1080592194 /nfs/dbraw/zinc/59/21/94/1080592194.db2.gz XIAOZKBQGIVCTG-KRWDZBQOSA-N 1 1 411.547 0.148 20 0 HCADMO COCCCNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465961504 1080592281 /nfs/dbraw/zinc/59/22/81/1080592281.db2.gz XIAOZKBQGIVCTG-QGZVFWFLSA-N 1 1 411.547 0.148 20 0 HCADMO Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)[nH+]c1 ZINC000465961559 1080592123 /nfs/dbraw/zinc/59/21/23/1080592123.db2.gz VHCGLGUAICPJRY-UHFFFAOYSA-N 1 1 414.510 0.491 20 0 HCADMO COc1ccc(-c2nc(CNC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)n[nH]2)cc1 ZINC000465962399 1080594665 /nfs/dbraw/zinc/59/46/65/1080594665.db2.gz YRLVHEOZDZMEOA-HNNXBMFYSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2nc(CNC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)n[nH]2)cc1 ZINC000465962399 1080594653 /nfs/dbraw/zinc/59/46/53/1080594653.db2.gz YRLVHEOZDZMEOA-HNNXBMFYSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)n2)cc1 ZINC000465962399 1080594642 /nfs/dbraw/zinc/59/46/42/1080594642.db2.gz YRLVHEOZDZMEOA-HNNXBMFYSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)n2)cc1 ZINC000465962399 1080594631 /nfs/dbraw/zinc/59/46/31/1080594631.db2.gz YRLVHEOZDZMEOA-HNNXBMFYSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2nnc(CNC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)[nH]2)cc1 ZINC000465962399 1080594622 /nfs/dbraw/zinc/59/46/22/1080594622.db2.gz YRLVHEOZDZMEOA-HNNXBMFYSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2nc(CNC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)n[nH]2)cc1 ZINC000465962400 1080595031 /nfs/dbraw/zinc/59/50/31/1080595031.db2.gz YRLVHEOZDZMEOA-OAHLLOKOSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2nc(CNC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)n[nH]2)cc1 ZINC000465962400 1080595023 /nfs/dbraw/zinc/59/50/23/1080595023.db2.gz YRLVHEOZDZMEOA-OAHLLOKOSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)n2)cc1 ZINC000465962400 1080595015 /nfs/dbraw/zinc/59/50/15/1080595015.db2.gz YRLVHEOZDZMEOA-OAHLLOKOSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2n[nH]c(CNC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)n2)cc1 ZINC000465962400 1080595006 /nfs/dbraw/zinc/59/50/06/1080595006.db2.gz YRLVHEOZDZMEOA-OAHLLOKOSA-N 1 1 415.498 0.867 20 0 HCADMO COc1ccc(-c2nnc(CNC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)[nH]2)cc1 ZINC000465962400 1080594997 /nfs/dbraw/zinc/59/49/97/1080594997.db2.gz YRLVHEOZDZMEOA-OAHLLOKOSA-N 1 1 415.498 0.867 20 0 HCADMO Cc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)[nH+]c1 ZINC000465962431 1080595123 /nfs/dbraw/zinc/59/51/23/1080595123.db2.gz RWDFHRMORGAFQS-UHFFFAOYSA-N 1 1 400.527 0.965 20 0 HCADMO Cc1ccc(N2CCC(NC(=O)N3CCN(c4nccn(C)c4=O)CC3)CC2)[nH+]c1 ZINC000465963476 1080595591 /nfs/dbraw/zinc/59/55/91/1080595591.db2.gz YWXLRDHINRSSRR-UHFFFAOYSA-N 1 1 411.510 0.984 20 0 HCADMO Cc1nsc(N2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000465963545 1080595492 /nfs/dbraw/zinc/59/54/92/1080595492.db2.gz ZOWCOLQDZLUVKV-HNNXBMFYSA-N 1 1 409.560 0.656 20 0 HCADMO Cc1nsc(N2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000465963546 1080595444 /nfs/dbraw/zinc/59/54/44/1080595444.db2.gz ZOWCOLQDZLUVKV-OAHLLOKOSA-N 1 1 409.560 0.656 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000465963926 1080595639 /nfs/dbraw/zinc/59/56/39/1080595639.db2.gz ZIMSVJQTOFAGFC-KRWDZBQOSA-N 1 1 419.501 0.767 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 ZINC000465963928 1080595527 /nfs/dbraw/zinc/59/55/27/1080595527.db2.gz ZIMSVJQTOFAGFC-QGZVFWFLSA-N 1 1 419.501 0.767 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCCN2C(=O)COc3ccccc32)C1 ZINC000465964415 1080595554 /nfs/dbraw/zinc/59/55/54/1080595554.db2.gz ZUHUGGVALJPMPX-INIZCTEOSA-N 1 1 417.510 0.689 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCCN2C(=O)COc3ccccc32)C1 ZINC000465964416 1080595656 /nfs/dbraw/zinc/59/56/56/1080595656.db2.gz ZUHUGGVALJPMPX-MRXNPFEDSA-N 1 1 417.510 0.689 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465964498 1080595809 /nfs/dbraw/zinc/59/58/09/1080595809.db2.gz BYILXGVOLBLEQT-KRWDZBQOSA-N 1 1 411.572 0.826 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000465964499 1080595939 /nfs/dbraw/zinc/59/59/39/1080595939.db2.gz BYILXGVOLBLEQT-QGZVFWFLSA-N 1 1 411.572 0.826 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000465964742 1080593987 /nfs/dbraw/zinc/59/39/87/1080593987.db2.gz ZSUKJIGFWRCMPG-CYBMUJFWSA-N 1 1 411.444 0.801 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC000465964746 1080593908 /nfs/dbraw/zinc/59/39/08/1080593908.db2.gz ZSUKJIGFWRCMPG-ZDUSSCGKSA-N 1 1 411.444 0.801 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000465964983 1080593630 /nfs/dbraw/zinc/59/36/30/1080593630.db2.gz GUACLEZLIWXHAU-GOSISDBHSA-N 1 1 423.583 0.874 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000465964984 1080593562 /nfs/dbraw/zinc/59/35/62/1080593562.db2.gz GUACLEZLIWXHAU-SFHVURJKSA-N 1 1 423.583 0.874 20 0 HCADMO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O 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HCADMO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466113598 1080895055 /nfs/dbraw/zinc/89/50/55/1080895055.db2.gz TUJVINWQNOBVFA-KRWDZBQOSA-N 1 1 417.620 0.763 20 0 HCADMO CCCS(=O)(=O)NC1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466113599 1080895009 /nfs/dbraw/zinc/89/50/09/1080895009.db2.gz TUJVINWQNOBVFA-QGZVFWFLSA-N 1 1 417.620 0.763 20 0 HCADMO CCN(C1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC000466114706 1080895697 /nfs/dbraw/zinc/89/56/97/1080895697.db2.gz XOBQSHICQPUCAB-KRWDZBQOSA-N 1 1 417.620 0.716 20 0 HCADMO CCN(C1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC000466114707 1080895583 /nfs/dbraw/zinc/89/55/83/1080895583.db2.gz XOBQSHICQPUCAB-QGZVFWFLSA-N 1 1 417.620 0.716 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114802 1080895299 /nfs/dbraw/zinc/89/52/99/1080895299.db2.gz JKBIVUJBTBQDRP-FQEVSTJZSA-N 1 1 422.618 0.600 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000466114806 1080895265 /nfs/dbraw/zinc/89/52/65/1080895265.db2.gz JKBIVUJBTBQDRP-HXUWFJFHSA-N 1 1 422.618 0.600 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115507 1080895641 /nfs/dbraw/zinc/89/56/41/1080895641.db2.gz YSJFEDPMXJHMMM-INIZCTEOSA-N 1 1 403.593 0.373 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC000466115524 1080895681 /nfs/dbraw/zinc/89/56/81/1080895681.db2.gz YSJFEDPMXJHMMM-MRXNPFEDSA-N 1 1 403.593 0.373 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466117596 1080897519 /nfs/dbraw/zinc/89/75/19/1080897519.db2.gz QQEFBTBHTQGYOJ-IBGZPJMESA-N 1 1 410.607 0.456 20 0 HCADMO CCN(CC)C(=O)CN1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000466117598 1080897571 /nfs/dbraw/zinc/89/75/71/1080897571.db2.gz QQEFBTBHTQGYOJ-LJQANCHMSA-N 1 1 410.607 0.456 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120222 1080907851 /nfs/dbraw/zinc/90/78/51/1080907851.db2.gz YEZSKXKUBXTSQX-GOSISDBHSA-N 1 1 402.543 0.823 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000466120224 1080908134 /nfs/dbraw/zinc/90/81/34/1080908134.db2.gz YEZSKXKUBXTSQX-SFHVURJKSA-N 1 1 402.543 0.823 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126057 1080916000 /nfs/dbraw/zinc/91/60/00/1080916000.db2.gz BMKOHEHOEJURDT-INIZCTEOSA-N 1 1 403.593 0.325 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000466126058 1080915511 /nfs/dbraw/zinc/91/55/11/1080915511.db2.gz BMKOHEHOEJURDT-MRXNPFEDSA-N 1 1 403.593 0.325 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127805 1080921305 /nfs/dbraw/zinc/92/13/05/1080921305.db2.gz FFEITJHIZDVJHH-DLBZAZTESA-N 1 1 403.593 0.231 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127807 1080921187 /nfs/dbraw/zinc/92/11/87/1080921187.db2.gz FFEITJHIZDVJHH-IAGOWNOFSA-N 1 1 403.593 0.231 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127808 1080921408 /nfs/dbraw/zinc/92/14/08/1080921408.db2.gz FFEITJHIZDVJHH-IRXDYDNUSA-N 1 1 403.593 0.231 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000466127810 1080921050 /nfs/dbraw/zinc/92/10/50/1080921050.db2.gz FFEITJHIZDVJHH-SJORKVTESA-N 1 1 403.593 0.231 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000466128131 1080921868 /nfs/dbraw/zinc/92/18/68/1080921868.db2.gz DBMIINYQBDANBH-KRWDZBQOSA-N 1 1 402.543 0.501 20 0 HCADMO C[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)CN1CC[NH+](C)CC1 ZINC000466128132 1080921583 /nfs/dbraw/zinc/92/15/83/1080921583.db2.gz DBMIINYQBDANBH-QGZVFWFLSA-N 1 1 402.543 0.501 20 0 HCADMO COc1ccc(C[C@H](CO)CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1O ZINC000466128887 1080922752 /nfs/dbraw/zinc/92/27/52/1080922752.db2.gz FISSBSCDMTWKKQ-AEFFLSMTSA-N 1 1 408.543 0.735 20 0 HCADMO COc1ccc(C[C@@H](CO)CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1O ZINC000466128923 1080917840 /nfs/dbraw/zinc/91/78/40/1080917840.db2.gz FISSBSCDMTWKKQ-FUHWJXTLSA-N 1 1 408.543 0.735 20 0 HCADMO COc1ccc(C[C@@H](CO)CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1O ZINC000466128924 1080917629 /nfs/dbraw/zinc/91/76/29/1080917629.db2.gz FISSBSCDMTWKKQ-SJLPKXTDSA-N 1 1 408.543 0.735 20 0 HCADMO COc1ccc(C[C@H](CO)CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1O ZINC000466128925 1080918510 /nfs/dbraw/zinc/91/85/10/1080918510.db2.gz FISSBSCDMTWKKQ-WMZOPIPTSA-N 1 1 408.543 0.735 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129245 1080921766 /nfs/dbraw/zinc/92/17/66/1080921766.db2.gz GDEHHCVYSPVSMB-MOPGFXCFSA-N 1 1 409.575 0.540 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129248 1080921669 /nfs/dbraw/zinc/92/16/69/1080921669.db2.gz GDEHHCVYSPVSMB-OALUTQOASA-N 1 1 409.575 0.540 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129252 1080921251 /nfs/dbraw/zinc/92/12/51/1080921251.db2.gz GDEHHCVYSPVSMB-RBUKOAKNSA-N 1 1 409.575 0.540 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000466129255 1080921487 /nfs/dbraw/zinc/92/14/87/1080921487.db2.gz GDEHHCVYSPVSMB-RTBURBONSA-N 1 1 409.575 0.540 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129358 1080922586 /nfs/dbraw/zinc/92/25/86/1080922586.db2.gz GMARGIDVLFAIIU-IBGZPJMESA-N 1 1 408.591 0.210 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000466129359 1080922407 /nfs/dbraw/zinc/92/24/07/1080922407.db2.gz GMARGIDVLFAIIU-LJQANCHMSA-N 1 1 408.591 0.210 20 0 HCADMO C[C@@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)CN1CC[NH+](C)CC1 ZINC000466129798 1080919497 /nfs/dbraw/zinc/91/94/97/1080919497.db2.gz IZGSNRUJMVKTOL-KRWDZBQOSA-N 1 1 419.574 0.455 20 0 HCADMO C[C@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)CN1CC[NH+](C)CC1 ZINC000466129800 1080919157 /nfs/dbraw/zinc/91/91/57/1080919157.db2.gz IZGSNRUJMVKTOL-QGZVFWFLSA-N 1 1 419.574 0.455 20 0 HCADMO CCOCCCNC(=O)C1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000466130328 1080918808 /nfs/dbraw/zinc/91/88/08/1080918808.db2.gz INONCPWSVVCAGB-GOSISDBHSA-N 1 1 411.591 0.834 20 0 HCADMO CCOCCCNC(=O)C1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000466130330 1080918329 /nfs/dbraw/zinc/91/83/29/1080918329.db2.gz INONCPWSVVCAGB-SFHVURJKSA-N 1 1 411.591 0.834 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000466131048 1080923496 /nfs/dbraw/zinc/92/34/96/1080923496.db2.gz JMEZFKPEOMTMTR-IBGZPJMESA-N 1 1 408.591 0.210 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CC[NH+](C)CC1 ZINC000466131049 1080923292 /nfs/dbraw/zinc/92/32/92/1080923292.db2.gz JMEZFKPEOMTMTR-LJQANCHMSA-N 1 1 408.591 0.210 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)CN1CC[NH+](C)CC1 ZINC000466131366 1080919550 /nfs/dbraw/zinc/91/95/50/1080919550.db2.gz AIHCNHCFFDWFBM-KRWDZBQOSA-N 1 1 403.527 0.743 20 0 HCADMO C[C@H](CNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)CN1CC[NH+](C)CC1 ZINC000466131367 1080919750 /nfs/dbraw/zinc/91/97/50/1080919750.db2.gz AIHCNHCFFDWFBM-QGZVFWFLSA-N 1 1 403.527 0.743 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131414 1080923166 /nfs/dbraw/zinc/92/31/66/1080923166.db2.gz ATJVTFZGCSPSFZ-MSOLQXFVSA-N 1 1 408.591 0.254 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131434 1080919671 /nfs/dbraw/zinc/91/96/71/1080919671.db2.gz ATJVTFZGCSPSFZ-QZTJIDSGSA-N 1 1 408.591 0.254 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131436 1080919447 /nfs/dbraw/zinc/91/94/47/1080919447.db2.gz ATJVTFZGCSPSFZ-ROUUACIJSA-N 1 1 408.591 0.254 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000466131438 1080919262 /nfs/dbraw/zinc/91/92/62/1080919262.db2.gz ATJVTFZGCSPSFZ-ZWKOTPCHSA-N 1 1 408.591 0.254 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CN1CC[NH+](C)CC1 ZINC000466131611 1080925793 /nfs/dbraw/zinc/92/57/93/1080925793.db2.gz MIWWFPNWVUEKPM-PMACEKPBSA-N 1 1 422.618 0.598 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CN1CC[NH+](C)CC1 ZINC000466131612 1080925548 /nfs/dbraw/zinc/92/55/48/1080925548.db2.gz MIWWFPNWVUEKPM-UXHICEINSA-N 1 1 422.618 0.598 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CN1CC[NH+](C)CC1 ZINC000466131613 1080925101 /nfs/dbraw/zinc/92/51/01/1080925101.db2.gz MIWWFPNWVUEKPM-VQTJNVASSA-N 1 1 422.618 0.598 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CN1CC[NH+](C)CC1 ZINC000466131614 1080924937 /nfs/dbraw/zinc/92/49/37/1080924937.db2.gz MIWWFPNWVUEKPM-WOJBJXKFSA-N 1 1 422.618 0.598 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131778 1080924546 /nfs/dbraw/zinc/92/45/46/1080924546.db2.gz BAZQTFSGNZHJFP-CEXWTWQISA-N 1 1 411.591 0.833 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131779 1080924286 /nfs/dbraw/zinc/92/42/86/1080924286.db2.gz BAZQTFSGNZHJFP-GUDVDZBRSA-N 1 1 411.591 0.833 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000466131780 1080924989 /nfs/dbraw/zinc/92/49/89/1080924989.db2.gz BAZQTFSGNZHJFP-QRVBRYPASA-N 1 1 411.591 0.833 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000466131781 1080925650 /nfs/dbraw/zinc/92/56/50/1080925650.db2.gz BAZQTFSGNZHJFP-QYZOEREBSA-N 1 1 411.591 0.833 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131836 1080925597 /nfs/dbraw/zinc/92/55/97/1080925597.db2.gz KJXGXKINYQQHGU-APWZRJJASA-N 1 1 407.563 0.579 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131837 1080924890 /nfs/dbraw/zinc/92/48/90/1080924890.db2.gz KJXGXKINYQQHGU-LPHOPBHVSA-N 1 1 407.563 0.579 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131838 1080925743 /nfs/dbraw/zinc/92/57/43/1080925743.db2.gz KJXGXKINYQQHGU-QFBILLFUSA-N 1 1 407.563 0.579 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC000466131839 1080925417 /nfs/dbraw/zinc/92/54/17/1080925417.db2.gz KJXGXKINYQQHGU-VQIMIIECSA-N 1 1 407.563 0.579 20 0 HCADMO C[C@@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)CN1CC[NH+](C)CC1 ZINC000466132156 1080924449 /nfs/dbraw/zinc/92/44/49/1080924449.db2.gz BQQHOAXYHFNQCO-AWEZNQCLSA-N 1 1 409.560 0.782 20 0 HCADMO C[C@H](CNC(=O)N1CCC(C(=O)Nc2nncs2)CC1)CN1CC[NH+](C)CC1 ZINC000466132157 1080924005 /nfs/dbraw/zinc/92/40/05/1080924005.db2.gz BQQHOAXYHFNQCO-CQSZACIVSA-N 1 1 409.560 0.782 20 0 HCADMO C[C@@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)CN1CC[NH+](C)CC1 ZINC000466132722 1080926372 /nfs/dbraw/zinc/92/63/72/1080926372.db2.gz MFICXBNXATYEEK-KRWDZBQOSA-N 1 1 423.583 0.926 20 0 HCADMO C[C@H](CNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)CN1CC[NH+](C)CC1 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Cn1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000466165941 1080971122 /nfs/dbraw/zinc/97/11/22/1080971122.db2.gz FEGMJZQAAHZVLW-IRXDYDNUSA-N 1 1 404.515 0.812 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)C2=O)n1 ZINC000466165944 1080970603 /nfs/dbraw/zinc/97/06/03/1080970603.db2.gz FEGMJZQAAHZVLW-SJORKVTESA-N 1 1 404.515 0.812 20 0 HCADMO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000466167893 1080974330 /nfs/dbraw/zinc/97/43/30/1080974330.db2.gz QCZBDZOWFWCIIY-MVCQKVDPSA-N 1 1 409.575 0.870 20 0 HCADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000466167894 1080974344 /nfs/dbraw/zinc/97/43/44/1080974344.db2.gz QCZBDZOWFWCIIY-QBUWPKIASA-N 1 1 409.575 0.870 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000466171038 1080977279 /nfs/dbraw/zinc/97/72/79/1080977279.db2.gz UJIGDAGKUCQCEO-KRWDZBQOSA-N 1 1 405.547 0.583 20 0 HCADMO 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ZINC000466193658 1081003179 /nfs/dbraw/zinc/00/31/79/1081003179.db2.gz GUOLZAXOLBYPSS-UHFFFAOYSA-N 1 1 417.510 0.246 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466199293 1081005149 /nfs/dbraw/zinc/00/51/49/1081005149.db2.gz NZSZANVAPLUXCH-UHFFFAOYSA-N 1 1 419.526 0.636 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466199293 1081005139 /nfs/dbraw/zinc/00/51/39/1081005139.db2.gz NZSZANVAPLUXCH-UHFFFAOYSA-N 1 1 419.526 0.636 20 0 HCADMO CN(Cc1nnnn1C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000466205776 1081011522 /nfs/dbraw/zinc/01/15/22/1081011522.db2.gz UJNAOVDLFFRPNX-UHFFFAOYSA-N 1 1 416.486 0.213 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000466214426 1081017404 /nfs/dbraw/zinc/01/74/04/1081017404.db2.gz ADUZMSFSTAMMOK-JOCHJYFZSA-N 1 1 412.490 0.987 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000466214435 1081017377 /nfs/dbraw/zinc/01/73/77/1081017377.db2.gz ADUZMSFSTAMMOK-QFIPXVFZSA-N 1 1 412.490 0.987 20 0 HCADMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215337 1081021161 /nfs/dbraw/zinc/02/11/61/1081021161.db2.gz KKZSKSRWWZZCHK-BEFAXECRSA-N 1 1 422.551 0.989 20 0 HCADMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215338 1081020947 /nfs/dbraw/zinc/02/09/47/1081020947.db2.gz KKZSKSRWWZZCHK-DNVCBOLYSA-N 1 1 422.551 0.989 20 0 HCADMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215339 1081021096 /nfs/dbraw/zinc/02/10/96/1081021096.db2.gz KKZSKSRWWZZCHK-HNAYVOBHSA-N 1 1 422.551 0.989 20 0 HCADMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000466215340 1081021177 /nfs/dbraw/zinc/02/11/77/1081021177.db2.gz KKZSKSRWWZZCHK-KXBFYZLASA-N 1 1 422.551 0.989 20 0 HCADMO CNC(=O)N[C@H]1CCN(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)C1 ZINC000466215929 1081019022 /nfs/dbraw/zinc/01/90/22/1081019022.db2.gz GPRARYWEASCTOT-KRWDZBQOSA-N 1 1 407.515 0.857 20 0 HCADMO CNC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(OCC[N@@H+](C)CCOC)c2)C1 ZINC000466215930 1081018980 /nfs/dbraw/zinc/01/89/80/1081018980.db2.gz GPRARYWEASCTOT-QGZVFWFLSA-N 1 1 407.515 0.857 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217270 1081019203 /nfs/dbraw/zinc/01/92/03/1081019203.db2.gz MPDZIJISBKEITQ-GOSISDBHSA-N 1 1 403.527 0.862 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000466217271 1081019384 /nfs/dbraw/zinc/01/93/84/1081019384.db2.gz MPDZIJISBKEITQ-SFHVURJKSA-N 1 1 403.527 0.862 20 0 HCADMO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000466218853 1081020002 /nfs/dbraw/zinc/02/00/02/1081020002.db2.gz SRBPSFSRNJTFDT-KBXCAEBGSA-N 1 1 410.540 0.893 20 0 HCADMO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000466218854 1081020028 /nfs/dbraw/zinc/02/00/28/1081020028.db2.gz SRBPSFSRNJTFDT-KDOFPFPSSA-N 1 1 410.540 0.893 20 0 HCADMO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000466218855 1081020113 /nfs/dbraw/zinc/02/01/13/1081020113.db2.gz SRBPSFSRNJTFDT-KSSFIOAISA-N 1 1 410.540 0.893 20 0 HCADMO COCCNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000466218856 1081020602 /nfs/dbraw/zinc/02/06/02/1081020602.db2.gz SRBPSFSRNJTFDT-RDTXWAMCSA-N 1 1 410.540 0.893 20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221922 1081022357 /nfs/dbraw/zinc/02/23/57/1081022357.db2.gz HCTHWFDHRYYMLY-MOPGFXCFSA-N 1 1 400.527 0.784 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221922 1081022350 /nfs/dbraw/zinc/02/23/50/1081022350.db2.gz HCTHWFDHRYYMLY-MOPGFXCFSA-N 1 1 400.527 0.784 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221922 1081022341 /nfs/dbraw/zinc/02/23/41/1081022341.db2.gz HCTHWFDHRYYMLY-MOPGFXCFSA-N 1 1 400.527 0.784 20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221924 1081022154 /nfs/dbraw/zinc/02/21/54/1081022154.db2.gz HCTHWFDHRYYMLY-OALUTQOASA-N 1 1 400.527 0.784 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221924 1081022148 /nfs/dbraw/zinc/02/21/48/1081022148.db2.gz HCTHWFDHRYYMLY-OALUTQOASA-N 1 1 400.527 0.784 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000466221924 1081022141 /nfs/dbraw/zinc/02/21/41/1081022141.db2.gz HCTHWFDHRYYMLY-OALUTQOASA-N 1 1 400.527 0.784 20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221926 1081022456 /nfs/dbraw/zinc/02/24/56/1081022456.db2.gz HCTHWFDHRYYMLY-RBUKOAKNSA-N 1 1 400.527 0.784 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221926 1081022446 /nfs/dbraw/zinc/02/24/46/1081022446.db2.gz HCTHWFDHRYYMLY-RBUKOAKNSA-N 1 1 400.527 0.784 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN3C(=O)NC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221926 1081022441 /nfs/dbraw/zinc/02/24/41/1081022441.db2.gz HCTHWFDHRYYMLY-RBUKOAKNSA-N 1 1 400.527 0.784 20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221927 1081022285 /nfs/dbraw/zinc/02/22/85/1081022285.db2.gz HCTHWFDHRYYMLY-RTBURBONSA-N 1 1 400.527 0.784 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221927 1081022276 /nfs/dbraw/zinc/02/22/76/1081022276.db2.gz HCTHWFDHRYYMLY-RTBURBONSA-N 1 1 400.527 0.784 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000466221927 1081022266 /nfs/dbraw/zinc/02/22/66/1081022266.db2.gz HCTHWFDHRYYMLY-RTBURBONSA-N 1 1 400.527 0.784 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000466223845 1081023430 /nfs/dbraw/zinc/02/34/30/1081023430.db2.gz JMRJMCOJTWTAJV-IBGZPJMESA-N 1 1 400.527 0.743 20 0 HCADMO 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1081023963 /nfs/dbraw/zinc/02/39/63/1081023963.db2.gz MTVTZMNNUWKIPI-IBGZPJMESA-N 1 1 400.527 0.613 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466225653 1081024037 /nfs/dbraw/zinc/02/40/37/1081024037.db2.gz MTVTZMNNUWKIPI-LJQANCHMSA-N 1 1 400.527 0.613 20 0 HCADMO CN(Cc1nnnn1C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000466227541 1081021733 /nfs/dbraw/zinc/02/17/33/1081021733.db2.gz OZVKSGHLBSOGRF-UHFFFAOYSA-N 1 1 400.531 0.950 20 0 HCADMO NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000466229557 1081028220 /nfs/dbraw/zinc/02/82/20/1081028220.db2.gz WPRBWGVHXRHYDT-DLBZAZTESA-N 1 1 403.531 0.722 20 0 HCADMO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000466229558 1081028309 /nfs/dbraw/zinc/02/83/09/1081028309.db2.gz WPRBWGVHXRHYDT-IAGOWNOFSA-N 1 1 403.531 0.722 20 0 HCADMO NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000466229559 1081028082 /nfs/dbraw/zinc/02/80/82/1081028082.db2.gz WPRBWGVHXRHYDT-IRXDYDNUSA-N 1 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C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000466274384 1081055582 /nfs/dbraw/zinc/05/55/82/1081055582.db2.gz OWGXQKMCOAVOJL-WBVHZDCISA-N 1 1 401.515 0.297 20 0 HCADMO O=C(C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1)N1CCCC1 ZINC000466291930 1081063563 /nfs/dbraw/zinc/06/35/63/1081063563.db2.gz WHEPPZDVFNIOHY-GOSISDBHSA-N 1 1 405.543 0.727 20 0 HCADMO O=C(C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1)N1CCCC1 ZINC000466291931 1081063321 /nfs/dbraw/zinc/06/33/21/1081063321.db2.gz WHEPPZDVFNIOHY-SFHVURJKSA-N 1 1 405.543 0.727 20 0 HCADMO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466291976 1081063476 /nfs/dbraw/zinc/06/34/76/1081063476.db2.gz WXYAOHZFWPLTKH-AZUAARDMSA-N 1 1 421.586 0.825 20 0 HCADMO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466291977 1081063230 /nfs/dbraw/zinc/06/32/30/1081063230.db2.gz WXYAOHZFWPLTKH-ICSRJNTNSA-N 1 1 421.586 0.825 20 0 HCADMO 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/nfs/dbraw/zinc/37/74/12/1077377412.db2.gz LPFYCTANUSQCQB-INIZCTEOSA-N 1 1 400.479 0.933 20 0 HCADMO O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493925542 1077377425 /nfs/dbraw/zinc/37/74/25/1077377425.db2.gz LPFYCTANUSQCQB-MRXNPFEDSA-N 1 1 400.479 0.933 20 0 HCADMO CC(=O)NCC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000493932059 1077377907 /nfs/dbraw/zinc/37/79/07/1077377907.db2.gz JESNYYLDRZLQDJ-UHFFFAOYSA-N 1 1 414.428 0.992 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493943448 1077379543 /nfs/dbraw/zinc/37/95/43/1077379543.db2.gz CYMIMRHJLRSYOC-HNNXBMFYSA-N 1 1 405.451 0.358 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493943449 1077379617 /nfs/dbraw/zinc/37/96/17/1077379617.db2.gz CYMIMRHJLRSYOC-OAHLLOKOSA-N 1 1 405.451 0.358 20 0 HCADMO O=C(Nc1cc2c(cc1F)CCC(=O)N2)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493943818 1077379347 /nfs/dbraw/zinc/37/93/47/1077379347.db2.gz FQLUIGXHRUZEPL-CYBMUJFWSA-N 1 1 404.442 0.830 20 0 HCADMO O=C(Nc1cc2c(cc1F)CCC(=O)N2)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493943819 1077379239 /nfs/dbraw/zinc/37/92/39/1077379239.db2.gz FQLUIGXHRUZEPL-ZDUSSCGKSA-N 1 1 404.442 0.830 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc21 ZINC000493944456 1077379566 /nfs/dbraw/zinc/37/95/66/1077379566.db2.gz IVLSPQHLVLJLLY-AWEZNQCLSA-N 1 1 402.451 0.161 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc21 ZINC000493944459 1077379654 /nfs/dbraw/zinc/37/96/54/1077379654.db2.gz IVLSPQHLVLJLLY-CQSZACIVSA-N 1 1 402.451 0.161 20 0 HCADMO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493944559 1077379704 /nfs/dbraw/zinc/37/97/04/1077379704.db2.gz JQDCCLQSXPSIOP-INIZCTEOSA-N 1 1 423.535 0.659 20 0 HCADMO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493944560 1077379453 /nfs/dbraw/zinc/37/94/53/1077379453.db2.gz JQDCCLQSXPSIOP-MRXNPFEDSA-N 1 1 423.535 0.659 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493944924 1077379475 /nfs/dbraw/zinc/37/94/75/1077379475.db2.gz MGKLWZAGKHSCHM-HNNXBMFYSA-N 1 1 404.467 0.773 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493944925 1077379677 /nfs/dbraw/zinc/37/96/77/1077379677.db2.gz MGKLWZAGKHSCHM-OAHLLOKOSA-N 1 1 404.467 0.773 20 0 HCADMO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493945421 1077380062 /nfs/dbraw/zinc/38/00/62/1077380062.db2.gz QZDMZNVYHRNIRZ-APWZRJJASA-N 1 1 403.479 0.974 20 0 HCADMO O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493945422 1077379994 /nfs/dbraw/zinc/37/99/94/1077379994.db2.gz QZDMZNVYHRNIRZ-LPHOPBHVSA-N 1 1 403.479 0.974 20 0 HCADMO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493945423 1077379831 /nfs/dbraw/zinc/37/98/31/1077379831.db2.gz QZDMZNVYHRNIRZ-QFBILLFUSA-N 1 1 403.479 0.974 20 0 HCADMO O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493945424 1077379914 /nfs/dbraw/zinc/37/99/14/1077379914.db2.gz QZDMZNVYHRNIRZ-VQIMIIECSA-N 1 1 403.479 0.974 20 0 HCADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493945663 1077380008 /nfs/dbraw/zinc/38/00/08/1077380008.db2.gz SQWKFQIBAJQVEA-CYBMUJFWSA-N 1 1 413.471 0.348 20 0 HCADMO CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493945664 1077379981 /nfs/dbraw/zinc/37/99/81/1077379981.db2.gz SQWKFQIBAJQVEA-ZDUSSCGKSA-N 1 1 413.471 0.348 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000493945822 1077379637 /nfs/dbraw/zinc/37/96/37/1077379637.db2.gz UURQQGCKASJNET-INIZCTEOSA-N 1 1 419.478 0.666 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c1 ZINC000493945823 1077379526 /nfs/dbraw/zinc/37/95/26/1077379526.db2.gz UURQQGCKASJNET-MRXNPFEDSA-N 1 1 419.478 0.666 20 0 HCADMO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493946353 1077380025 /nfs/dbraw/zinc/38/00/25/1077380025.db2.gz ZYHWOUHGXPGSHS-INIZCTEOSA-N 1 1 402.495 0.864 20 0 HCADMO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493946354 1077379970 /nfs/dbraw/zinc/37/99/70/1077379970.db2.gz ZYHWOUHGXPGSHS-MRXNPFEDSA-N 1 1 402.495 0.864 20 0 HCADMO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000493946851 1077379941 /nfs/dbraw/zinc/37/99/41/1077379941.db2.gz MKNXIMMNTDBUAP-HNNXBMFYSA-N 1 1 414.466 0.285 20 0 HCADMO CCOC(=O)c1cnn2c1nccc2C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000493946852 1077379872 /nfs/dbraw/zinc/37/98/72/1077379872.db2.gz MKNXIMMNTDBUAP-OAHLLOKOSA-N 1 1 414.466 0.285 20 0 HCADMO COC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493952662 1077381503 /nfs/dbraw/zinc/38/15/03/1077381503.db2.gz MOSMUZBWQDEXKM-INIZCTEOSA-N 1 1 419.478 0.748 20 0 HCADMO COC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493952663 1077381397 /nfs/dbraw/zinc/38/13/97/1077381397.db2.gz MOSMUZBWQDEXKM-MRXNPFEDSA-N 1 1 419.478 0.748 20 0 HCADMO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1F ZINC000493952678 1077381462 /nfs/dbraw/zinc/38/14/62/1077381462.db2.gz MYFFSXZHFSQWOU-AWEZNQCLSA-N 1 1 417.445 0.229 20 0 HCADMO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1F ZINC000493952679 1077381337 /nfs/dbraw/zinc/38/13/37/1077381337.db2.gz MYFFSXZHFSQWOU-CQSZACIVSA-N 1 1 417.445 0.229 20 0 HCADMO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954438 1077381779 /nfs/dbraw/zinc/38/17/79/1077381779.db2.gz FXUCCUBCGZXLLU-GOSISDBHSA-N 1 1 411.510 0.966 20 0 HCADMO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1-c1nc(C)cc(C)n1 ZINC000493954439 1077381655 /nfs/dbraw/zinc/38/16/55/1077381655.db2.gz FXUCCUBCGZXLLU-SFHVURJKSA-N 1 1 411.510 0.966 20 0 HCADMO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000493966480 1077383103 /nfs/dbraw/zinc/38/31/03/1077383103.db2.gz IPUHKOAJEGOMPY-FQEVSTJZSA-N 1 1 415.538 0.558 20 0 HCADMO CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000493966481 1077382962 /nfs/dbraw/zinc/38/29/62/1077382962.db2.gz IPUHKOAJEGOMPY-HXUWFJFHSA-N 1 1 415.538 0.558 20 0 HCADMO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493966863 1077382922 /nfs/dbraw/zinc/38/29/22/1077382922.db2.gz DAMZXHHBYRWEJE-HNNXBMFYSA-N 1 1 409.508 0.350 20 0 HCADMO CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493966864 1077382994 /nfs/dbraw/zinc/38/29/94/1077382994.db2.gz DAMZXHHBYRWEJE-OAHLLOKOSA-N 1 1 409.508 0.350 20 0 HCADMO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493966964 1077382902 /nfs/dbraw/zinc/38/29/02/1077382902.db2.gz DLWJXWXSKSJZQI-INIZCTEOSA-N 1 1 402.495 0.946 20 0 HCADMO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493966966 1077383031 /nfs/dbraw/zinc/38/30/31/1077383031.db2.gz DLWJXWXSKSJZQI-MRXNPFEDSA-N 1 1 402.495 0.946 20 0 HCADMO O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493967515 1077382940 /nfs/dbraw/zinc/38/29/40/1077382940.db2.gz HCNALSCDLLVXAL-INIZCTEOSA-N 1 1 403.483 0.037 20 0 HCADMO O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493967516 1077382844 /nfs/dbraw/zinc/38/28/44/1077382844.db2.gz HCNALSCDLLVXAL-MRXNPFEDSA-N 1 1 403.483 0.037 20 0 HCADMO CNC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Cl ZINC000493970596 1077383548 /nfs/dbraw/zinc/38/35/48/1077383548.db2.gz SOMHHPFUFJTONB-CYBMUJFWSA-N 1 1 408.886 0.819 20 0 HCADMO CNC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000493970597 1077383613 /nfs/dbraw/zinc/38/36/13/1077383613.db2.gz SOMHHPFUFJTONB-ZDUSSCGKSA-N 1 1 408.886 0.819 20 0 HCADMO CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000493970623 1077383569 /nfs/dbraw/zinc/38/35/69/1077383569.db2.gz SVDCPKXRBNTXKW-CYBMUJFWSA-N 1 1 408.886 0.819 20 0 HCADMO CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000493970624 1077383595 /nfs/dbraw/zinc/38/35/95/1077383595.db2.gz SVDCPKXRBNTXKW-ZDUSSCGKSA-N 1 1 408.886 0.819 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1NC(C)=O ZINC000493971336 1077383478 /nfs/dbraw/zinc/38/34/78/1077383478.db2.gz XAORFRMKCVDIOO-HNNXBMFYSA-N 1 1 404.467 0.773 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1NC(C)=O ZINC000493971337 1077383657 /nfs/dbraw/zinc/38/36/57/1077383657.db2.gz XAORFRMKCVDIOO-OAHLLOKOSA-N 1 1 404.467 0.773 20 0 HCADMO O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493971353 1077383676 /nfs/dbraw/zinc/38/36/76/1077383676.db2.gz XDXSDGFVJOYLCH-HNNXBMFYSA-N 1 1 400.479 0.698 20 0 HCADMO O=C(Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493971354 1077383631 /nfs/dbraw/zinc/38/36/31/1077383631.db2.gz XDXSDGFVJOYLCH-OAHLLOKOSA-N 1 1 400.479 0.698 20 0 HCADMO O=C(Nc1ccccc1CN1CCOCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493975428 1077380502 /nfs/dbraw/zinc/38/05/02/1077380502.db2.gz FSNKVULADSQJGN-GOSISDBHSA-N 1 1 416.522 0.638 20 0 HCADMO O=C(Nc1ccccc1CN1CCOCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493975434 1077380664 /nfs/dbraw/zinc/38/06/64/1077380664.db2.gz FSNKVULADSQJGN-SFHVURJKSA-N 1 1 416.522 0.638 20 0 HCADMO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493977102 1077380556 /nfs/dbraw/zinc/38/05/56/1077380556.db2.gz MAVHEOQIOWHHBB-HNNXBMFYSA-N 1 1 401.467 0.335 20 0 HCADMO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493977103 1077380648 /nfs/dbraw/zinc/38/06/48/1077380648.db2.gz MAVHEOQIOWHHBB-OAHLLOKOSA-N 1 1 401.467 0.335 20 0 HCADMO NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493977536 1077380927 /nfs/dbraw/zinc/38/09/27/1077380927.db2.gz OHBMUBVXEWKUMT-HNNXBMFYSA-N 1 1 404.467 0.060 20 0 HCADMO NC(=O)CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493977537 1077380844 /nfs/dbraw/zinc/38/08/44/1077380844.db2.gz OHBMUBVXEWKUMT-OAHLLOKOSA-N 1 1 404.467 0.060 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493979054 1077386508 /nfs/dbraw/zinc/38/65/08/1077386508.db2.gz WIWLVPXNDRCAMV-INIZCTEOSA-N 1 1 402.495 0.816 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493979055 1077386598 /nfs/dbraw/zinc/38/65/98/1077386598.db2.gz WIWLVPXNDRCAMV-MRXNPFEDSA-N 1 1 402.495 0.816 20 0 HCADMO COC(=O)CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493984479 1077387416 /nfs/dbraw/zinc/38/74/16/1077387416.db2.gz IEQHHFAKWNOURC-KRWDZBQOSA-N 1 1 403.479 0.911 20 0 HCADMO COC(=O)CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493984480 1077387538 /nfs/dbraw/zinc/38/75/38/1077387538.db2.gz IEQHHFAKWNOURC-QGZVFWFLSA-N 1 1 403.479 0.911 20 0 HCADMO CCOC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493984730 1077387387 /nfs/dbraw/zinc/38/73/87/1077387387.db2.gz JJOIYWRGQFTIIH-INIZCTEOSA-N 1 1 419.478 0.748 20 0 HCADMO CCOC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493984731 1077387569 /nfs/dbraw/zinc/38/75/69/1077387569.db2.gz JJOIYWRGQFTIIH-MRXNPFEDSA-N 1 1 419.478 0.748 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(Br)s2)CC1 ZINC000493986417 1077387463 /nfs/dbraw/zinc/38/74/63/1077387463.db2.gz BOEXUDNYFJUPKM-UHFFFAOYSA-N 1 1 417.329 0.567 20 0 HCADMO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493993612 1077384982 /nfs/dbraw/zinc/38/49/82/1077384982.db2.gz VIPKOTVJCVUMRP-INIZCTEOSA-N 1 1 418.494 0.273 20 0 HCADMO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493993613 1077384930 /nfs/dbraw/zinc/38/49/30/1077384930.db2.gz VIPKOTVJCVUMRP-MRXNPFEDSA-N 1 1 418.494 0.273 20 0 HCADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493994001 1077384574 /nfs/dbraw/zinc/38/45/74/1077384574.db2.gz XGAOZDCIWAIQQG-HNNXBMFYSA-N 1 1 409.508 0.599 20 0 HCADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493994003 1077385020 /nfs/dbraw/zinc/38/50/20/1077385020.db2.gz XGAOZDCIWAIQQG-OAHLLOKOSA-N 1 1 409.508 0.599 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H](C)O1 ZINC000493995988 1077385345 /nfs/dbraw/zinc/38/53/45/1077385345.db2.gz HLTZGLNPZSPOFP-GUTXKFCHSA-N 1 1 401.467 0.748 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@H](C)O1 ZINC000493995988 1077385340 /nfs/dbraw/zinc/38/53/40/1077385340.db2.gz HLTZGLNPZSPOFP-GUTXKFCHSA-N 1 1 401.467 0.748 20 0 HCADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H](C)O1 ZINC000493995995 1077385245 /nfs/dbraw/zinc/38/52/45/1077385245.db2.gz HLTZGLNPZSPOFP-NFAWXSAZSA-N 1 1 401.467 0.748 20 0 HCADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C[C@@H](C)O1 ZINC000493995996 1077385319 /nfs/dbraw/zinc/38/53/19/1077385319.db2.gz HLTZGLNPZSPOFP-UMVBOHGHSA-N 1 1 401.467 0.748 20 0 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ZINC000494036544 1077387891 /nfs/dbraw/zinc/38/78/91/1077387891.db2.gz FRGHQGQAXGBVBB-OAHLLOKOSA-N 1 1 404.467 0.060 20 0 HCADMO C[C@@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000494037851 1077395397 /nfs/dbraw/zinc/39/53/97/1077395397.db2.gz LVYNMKPCHFQBNR-GDBMZVCRSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@H]1[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000494037852 1077395341 /nfs/dbraw/zinc/39/53/41/1077395341.db2.gz LVYNMKPCHFQBNR-GOEBONIOSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000494037853 1077395165 /nfs/dbraw/zinc/39/51/65/1077395165.db2.gz LVYNMKPCHFQBNR-HOCLYGCPSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@@H]1[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000494037854 1077395214 /nfs/dbraw/zinc/39/52/14/1077395214.db2.gz LVYNMKPCHFQBNR-ZBFHGGJFSA-N 1 1 410.478 0.213 20 0 HCADMO COCCOc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC ZINC000494037989 1077395370 /nfs/dbraw/zinc/39/53/70/1077395370.db2.gz MQVGGEXTTCRJGP-INIZCTEOSA-N 1 1 421.494 0.840 20 0 HCADMO COCCOc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC ZINC000494037990 1077395324 /nfs/dbraw/zinc/39/53/24/1077395324.db2.gz MQVGGEXTTCRJGP-MRXNPFEDSA-N 1 1 421.494 0.840 20 0 HCADMO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494039713 1077395623 /nfs/dbraw/zinc/39/56/23/1077395623.db2.gz VCLUQUMBDRQKFK-KRWDZBQOSA-N 1 1 402.495 0.437 20 0 HCADMO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494039714 1077395584 /nfs/dbraw/zinc/39/55/84/1077395584.db2.gz VCLUQUMBDRQKFK-QGZVFWFLSA-N 1 1 402.495 0.437 20 0 HCADMO C[C@@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000494045618 1077392043 /nfs/dbraw/zinc/39/20/43/1077392043.db2.gz BIRCVBGGMUOHBL-GDBMZVCRSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@H]1[C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000494045619 1077392163 /nfs/dbraw/zinc/39/21/63/1077392163.db2.gz BIRCVBGGMUOHBL-GOEBONIOSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000494045620 1077392018 /nfs/dbraw/zinc/39/20/18/1077392018.db2.gz BIRCVBGGMUOHBL-HOCLYGCPSA-N 1 1 410.478 0.213 20 0 HCADMO C[C@@H]1[C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000494045621 1077392135 /nfs/dbraw/zinc/39/21/35/1077392135.db2.gz BIRCVBGGMUOHBL-ZBFHGGJFSA-N 1 1 410.478 0.213 20 0 HCADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494047220 1077392094 /nfs/dbraw/zinc/39/20/94/1077392094.db2.gz HWNFEKYTTXEXIO-AEFFLSMTSA-N 1 1 424.567 0.600 20 0 HCADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494047221 1077391938 /nfs/dbraw/zinc/39/19/38/1077391938.db2.gz HWNFEKYTTXEXIO-FUHWJXTLSA-N 1 1 424.567 0.600 20 0 HCADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494047222 1077391968 /nfs/dbraw/zinc/39/19/68/1077391968.db2.gz HWNFEKYTTXEXIO-SJLPKXTDSA-N 1 1 424.567 0.600 20 0 HCADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494047224 1077392382 /nfs/dbraw/zinc/39/23/82/1077392382.db2.gz HWNFEKYTTXEXIO-WMZOPIPTSA-N 1 1 424.567 0.600 20 0 HCADMO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)ccc21 ZINC000494047608 1077392738 /nfs/dbraw/zinc/39/27/38/1077392738.db2.gz JFFKOEOMWIRZIQ-INIZCTEOSA-N 1 1 400.479 0.715 20 0 HCADMO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccc21 ZINC000494047609 1077392576 /nfs/dbraw/zinc/39/25/76/1077392576.db2.gz JFFKOEOMWIRZIQ-MRXNPFEDSA-N 1 1 400.479 0.715 20 0 HCADMO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000494048563 1077392701 /nfs/dbraw/zinc/39/27/01/1077392701.db2.gz LFOUABURWJIXSD-HNNXBMFYSA-N 1 1 413.482 0.479 20 0 HCADMO CCn1nnnc1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000494048567 1077392656 /nfs/dbraw/zinc/39/26/56/1077392656.db2.gz LFOUABURWJIXSD-OAHLLOKOSA-N 1 1 413.482 0.479 20 0 HCADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000494051315 1077392919 /nfs/dbraw/zinc/39/29/19/1077392919.db2.gz UNUXPJUSSMMWGH-HNNXBMFYSA-N 1 1 424.523 0.056 20 0 HCADMO CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000494051316 1077392845 /nfs/dbraw/zinc/39/28/45/1077392845.db2.gz UNUXPJUSSMMWGH-OAHLLOKOSA-N 1 1 424.523 0.056 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(=O)[nH]c1=O ZINC000494051920 1077393200 /nfs/dbraw/zinc/39/32/00/1077393200.db2.gz WBPNGNGFVLESTQ-UHFFFAOYSA-N 1 1 416.482 0.843 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(=O)[nH]c1=O ZINC000494051920 1077393193 /nfs/dbraw/zinc/39/31/93/1077393193.db2.gz WBPNGNGFVLESTQ-UHFFFAOYSA-N 1 1 416.482 0.843 20 0 HCADMO Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)nc(C)[nH+]1 ZINC000494052733 1077393112 /nfs/dbraw/zinc/39/31/12/1077393112.db2.gz YLIWOFNHANEXBS-UHFFFAOYSA-N 1 1 421.465 0.793 20 0 HCADMO NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494052877 1077393070 /nfs/dbraw/zinc/39/30/70/1077393070.db2.gz YUCWKLVCIGOUNM-HNNXBMFYSA-N 1 1 420.535 0.773 20 0 HCADMO NC(=O)CCSc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494052878 1077393285 /nfs/dbraw/zinc/39/32/85/1077393285.db2.gz YUCWKLVCIGOUNM-OAHLLOKOSA-N 1 1 420.535 0.773 20 0 HCADMO O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494052895 1077393217 /nfs/dbraw/zinc/39/32/17/1077393217.db2.gz YYVLCWMZLJORLR-INIZCTEOSA-N 1 1 415.494 0.726 20 0 HCADMO O=C(Nc1cccc(N2CCCNC2=O)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494052896 1077393271 /nfs/dbraw/zinc/39/32/71/1077393271.db2.gz YYVLCWMZLJORLR-MRXNPFEDSA-N 1 1 415.494 0.726 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2C1=O ZINC000494057753 1077394288 /nfs/dbraw/zinc/39/42/88/1077394288.db2.gz DKRJCEWNSKLMBI-CYBMUJFWSA-N 1 1 400.435 0.032 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2C1=O ZINC000494057754 1077394270 /nfs/dbraw/zinc/39/42/70/1077394270.db2.gz DKRJCEWNSKLMBI-ZDUSSCGKSA-N 1 1 400.435 0.032 20 0 HCADMO CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000494060371 1077394336 /nfs/dbraw/zinc/39/43/36/1077394336.db2.gz MMPADYRPSFNXQO-AWEZNQCLSA-N 1 1 424.523 0.016 20 0 HCADMO CCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000494060372 1077394228 /nfs/dbraw/zinc/39/42/28/1077394228.db2.gz MMPADYRPSFNXQO-CQSZACIVSA-N 1 1 424.523 0.016 20 0 HCADMO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494060786 1077394580 /nfs/dbraw/zinc/39/45/80/1077394580.db2.gz QSJAICYETQVUHR-AWEZNQCLSA-N 1 1 402.430 0.526 20 0 HCADMO O=C(Nc1ccc(-n2cncn2)c(F)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494060787 1077394487 /nfs/dbraw/zinc/39/44/87/1077394487.db2.gz QSJAICYETQVUHR-CQSZACIVSA-N 1 1 402.430 0.526 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000494063602 1077395041 /nfs/dbraw/zinc/39/50/41/1077395041.db2.gz VPYNVMFRLBACAA-KRWDZBQOSA-N 1 1 406.531 0.305 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC000494063602 1077395035 /nfs/dbraw/zinc/39/50/35/1077395035.db2.gz VPYNVMFRLBACAA-KRWDZBQOSA-N 1 1 406.531 0.305 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000494063608 1077395059 /nfs/dbraw/zinc/39/50/59/1077395059.db2.gz VPYNVMFRLBACAA-QGZVFWFLSA-N 1 1 406.531 0.305 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC000494063608 1077395054 /nfs/dbraw/zinc/39/50/54/1077395054.db2.gz VPYNVMFRLBACAA-QGZVFWFLSA-N 1 1 406.531 0.305 20 0 HCADMO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494068366 1077397729 /nfs/dbraw/zinc/39/77/29/1077397729.db2.gz GWTMBHFODWQPSS-GOSISDBHSA-N 1 1 416.522 0.873 20 0 HCADMO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494068367 1077397518 /nfs/dbraw/zinc/39/75/18/1077397518.db2.gz GWTMBHFODWQPSS-SFHVURJKSA-N 1 1 416.522 0.873 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C(=O)N(C)C ZINC000494070812 1077398269 /nfs/dbraw/zinc/39/82/69/1077398269.db2.gz YVBYGFAFZIOHAB-INIZCTEOSA-N 1 1 402.495 0.816 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C(=O)N(C)C ZINC000494070815 1077398217 /nfs/dbraw/zinc/39/82/17/1077398217.db2.gz YVBYGFAFZIOHAB-MRXNPFEDSA-N 1 1 402.495 0.816 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494076397 1077399103 /nfs/dbraw/zinc/39/91/03/1077399103.db2.gz AFLZEMGQSYENNL-HNNXBMFYSA-N 1 1 405.451 0.358 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494076398 1077398991 /nfs/dbraw/zinc/39/89/91/1077398991.db2.gz AFLZEMGQSYENNL-OAHLLOKOSA-N 1 1 405.451 0.358 20 0 HCADMO C[C@@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@H+]1Cc1ccccc1 ZINC000494076542 1077399008 /nfs/dbraw/zinc/39/90/08/1077399008.db2.gz BPVXFKDYQAUDME-CRAIPNDOSA-N 1 1 409.490 0.818 20 0 HCADMO C[C@H]1[C@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@H+]1Cc1ccccc1 ZINC000494076543 1077399142 /nfs/dbraw/zinc/39/91/42/1077399142.db2.gz BPVXFKDYQAUDME-MAUKXSAKSA-N 1 1 409.490 0.818 20 0 HCADMO C[C@@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@H+]1Cc1ccccc1 ZINC000494076544 1077399183 /nfs/dbraw/zinc/39/91/83/1077399183.db2.gz BPVXFKDYQAUDME-QAPCUYQASA-N 1 1 409.490 0.818 20 0 HCADMO C[C@H]1[C@@H](NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC[N@H+]1Cc1ccccc1 ZINC000494076545 1077398965 /nfs/dbraw/zinc/39/89/65/1077398965.db2.gz BPVXFKDYQAUDME-YJBOKZPZSA-N 1 1 409.490 0.818 20 0 HCADMO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494078258 1077398924 /nfs/dbraw/zinc/39/89/24/1077398924.db2.gz KDCIPXCQIIBPLI-GOSISDBHSA-N 1 1 416.522 0.951 20 0 HCADMO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494078259 1077399088 /nfs/dbraw/zinc/39/90/88/1077399088.db2.gz KDCIPXCQIIBPLI-SFHVURJKSA-N 1 1 416.522 0.951 20 0 HCADMO Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)CC2)nc(C)[nH+]1 ZINC000494078629 1077399398 /nfs/dbraw/zinc/39/93/98/1077399398.db2.gz LCTQWVVJHMJSQC-UHFFFAOYSA-N 1 1 410.478 0.845 20 0 HCADMO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494080384 1077399338 /nfs/dbraw/zinc/39/93/38/1077399338.db2.gz RSWOLULXKYYQBP-HNNXBMFYSA-N 1 1 409.508 0.518 20 0 HCADMO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494080385 1077399471 /nfs/dbraw/zinc/39/94/71/1077399471.db2.gz RSWOLULXKYYQBP-OAHLLOKOSA-N 1 1 409.508 0.518 20 0 HCADMO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494080399 1077399281 /nfs/dbraw/zinc/39/92/81/1077399281.db2.gz RXTXHMWPCQWGET-LLVKDONJSA-N 1 1 402.373 0.925 20 0 HCADMO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494080400 1077399423 /nfs/dbraw/zinc/39/94/23/1077399423.db2.gz RXTXHMWPCQWGET-NSHDSACASA-N 1 1 402.373 0.925 20 0 HCADMO O=C(Nc1ccc2c(c1)NC(=O)CS2)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000494080581 1077399735 /nfs/dbraw/zinc/39/97/35/1077399735.db2.gz UIAWGKFWCSXSSF-CYBMUJFWSA-N 1 1 404.492 0.850 20 0 HCADMO O=C(Nc1ccc2c(c1)NC(=O)CS2)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000494080582 1077399685 /nfs/dbraw/zinc/39/96/85/1077399685.db2.gz UIAWGKFWCSXSSF-ZDUSSCGKSA-N 1 1 404.492 0.850 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1NC(C)=O ZINC000494081085 1077399599 /nfs/dbraw/zinc/39/95/99/1077399599.db2.gz XKUZMFARVJCLJG-HNNXBMFYSA-N 1 1 404.467 0.773 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1NC(C)=O ZINC000494081086 1077399546 /nfs/dbraw/zinc/39/95/46/1077399546.db2.gz XKUZMFARVJCLJG-OAHLLOKOSA-N 1 1 404.467 0.773 20 0 HCADMO CCN1CC[NH+](CCC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084061 1077400825 /nfs/dbraw/zinc/40/08/25/1077400825.db2.gz WCNGTTIEKCLQCG-NRFANRHFSA-N 1 1 413.566 0.964 20 0 HCADMO CCN1CC[NH+](CCC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000494084062 1077400662 /nfs/dbraw/zinc/40/06/62/1077400662.db2.gz WCNGTTIEKCLQCG-OAQYLSRUSA-N 1 1 413.566 0.964 20 0 HCADMO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494086718 1077400258 /nfs/dbraw/zinc/40/02/58/1077400258.db2.gz CNNRNEVRAHCIJX-UHFFFAOYSA-N 1 1 416.503 0.678 20 0 HCADMO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000494086718 1077400242 /nfs/dbraw/zinc/40/02/42/1077400242.db2.gz CNNRNEVRAHCIJX-UHFFFAOYSA-N 1 1 416.503 0.678 20 0 HCADMO COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000494087451 1077400775 /nfs/dbraw/zinc/40/07/75/1077400775.db2.gz GSMHUPDAYOCZQP-KRWDZBQOSA-N 1 1 413.540 0.789 20 0 HCADMO COc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000494087452 1077400415 /nfs/dbraw/zinc/40/04/15/1077400415.db2.gz GSMHUPDAYOCZQP-QGZVFWFLSA-N 1 1 413.540 0.789 20 0 HCADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494096732 1077397106 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NSAJJXMGUSMCEP-OAHLLOKOSA-N 1 1 405.480 0.729 20 0 HCADMO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494109760 1077402265 /nfs/dbraw/zinc/40/22/65/1077402265.db2.gz WENRJDJULBDCDR-UHFFFAOYSA-N 1 1 410.474 0.934 20 0 HCADMO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000494109760 1077402254 /nfs/dbraw/zinc/40/22/54/1077402254.db2.gz WENRJDJULBDCDR-UHFFFAOYSA-N 1 1 410.474 0.934 20 0 HCADMO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000494110050 1077401889 /nfs/dbraw/zinc/40/18/89/1077401889.db2.gz YGZPMDOJJDJSHH-UHFFFAOYSA-N 1 1 404.492 0.542 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000494116679 1077403424 /nfs/dbraw/zinc/40/34/24/1077403424.db2.gz NLCIGUPXNUMXEG-HNNXBMFYSA-N 1 1 403.483 0.641 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000494116680 1077403612 /nfs/dbraw/zinc/40/36/12/1077403612.db2.gz NLCIGUPXNUMXEG-OAHLLOKOSA-N 1 1 403.483 0.641 20 0 HCADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494133617 1077408850 /nfs/dbraw/zinc/40/88/50/1077408850.db2.gz CJHUMOFFJCWJJE-CYBMUJFWSA-N 1 1 404.492 0.540 20 0 HCADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494133617 1077408830 /nfs/dbraw/zinc/40/88/30/1077408830.db2.gz CJHUMOFFJCWJJE-CYBMUJFWSA-N 1 1 404.492 0.540 20 0 HCADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494133618 1077409222 /nfs/dbraw/zinc/40/92/22/1077409222.db2.gz CJHUMOFFJCWJJE-ZDUSSCGKSA-N 1 1 404.492 0.540 20 0 HCADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494133618 1077409205 /nfs/dbraw/zinc/40/92/05/1077409205.db2.gz CJHUMOFFJCWJJE-ZDUSSCGKSA-N 1 1 404.492 0.540 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000494133631 1077408755 /nfs/dbraw/zinc/40/87/55/1077408755.db2.gz CKJOUXNAEXDARK-HKUYNNGSSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000494133632 1077408964 /nfs/dbraw/zinc/40/89/64/1077408964.db2.gz CKJOUXNAEXDARK-IEBWSBKVSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000494133633 1077409285 /nfs/dbraw/zinc/40/92/85/1077409285.db2.gz CKJOUXNAEXDARK-MJGOQNOKSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000494133634 1077409167 /nfs/dbraw/zinc/40/91/67/1077409167.db2.gz CKJOUXNAEXDARK-PKOBYXMFSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137210 1077410894 /nfs/dbraw/zinc/41/08/94/1077410894.db2.gz PAODRYCQKNUMPS-HKUYNNGSSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137211 1077410605 /nfs/dbraw/zinc/41/06/05/1077410605.db2.gz PAODRYCQKNUMPS-IEBWSBKVSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000494137212 1077410431 /nfs/dbraw/zinc/41/04/31/1077410431.db2.gz PAODRYCQKNUMPS-MJGOQNOKSA-N 1 1 414.510 0.976 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000494137213 1077410744 /nfs/dbraw/zinc/41/07/44/1077410744.db2.gz PAODRYCQKNUMPS-PKOBYXMFSA-N 1 1 414.510 0.976 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000494145654 1077413519 /nfs/dbraw/zinc/41/35/19/1077413519.db2.gz OXDIOVIOYJEPLY-CYBMUJFWSA-N 1 1 416.569 0.952 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCS[C@@H](C)CC2)CC1 ZINC000494145655 1077413720 /nfs/dbraw/zinc/41/37/20/1077413720.db2.gz OXDIOVIOYJEPLY-ZDUSSCGKSA-N 1 1 416.569 0.952 20 0 HCADMO CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000494158910 1077424976 /nfs/dbraw/zinc/42/49/76/1077424976.db2.gz AQWLHVLZKXDZRC-DOTOQJQBSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000494158911 1077424654 /nfs/dbraw/zinc/42/46/54/1077424654.db2.gz AQWLHVLZKXDZRC-NVXWUHKLSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000494158912 1077424488 /nfs/dbraw/zinc/42/44/88/1077424488.db2.gz AQWLHVLZKXDZRC-RDJZCZTQSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000494158913 1077424817 /nfs/dbraw/zinc/42/48/17/1077424817.db2.gz AQWLHVLZKXDZRC-WBVHZDCISA-N 1 1 404.511 0.926 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000494164463 1077426432 /nfs/dbraw/zinc/42/64/32/1077426432.db2.gz QFYMQUXFYUGYNB-KRWDZBQOSA-N 1 1 423.539 0.288 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000494164464 1077426369 /nfs/dbraw/zinc/42/63/69/1077426369.db2.gz QFYMQUXFYUGYNB-QGZVFWFLSA-N 1 1 423.539 0.288 20 0 HCADMO 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1077488889 /nfs/dbraw/zinc/48/88/89/1077488889.db2.gz TXDBGBOVUOOFOA-ZYIUAKIQSA-N 1 1 413.927 0.893 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000494292128 1077490809 /nfs/dbraw/zinc/49/08/09/1077490809.db2.gz CJRFMRWJJQVIND-IBGZPJMESA-N 1 1 424.501 0.905 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](CO)c3ccccc3)cc2)CC1 ZINC000494292129 1077490886 /nfs/dbraw/zinc/49/08/86/1077490886.db2.gz CJRFMRWJJQVIND-LJQANCHMSA-N 1 1 424.501 0.905 20 0 HCADMO NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494292368 1077490843 /nfs/dbraw/zinc/49/08/43/1077490843.db2.gz FNVJARJNYXLGHS-LLVKDONJSA-N 1 1 414.438 0.850 20 0 HCADMO NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000494292369 1077490780 /nfs/dbraw/zinc/49/07/80/1077490780.db2.gz FNVJARJNYXLGHS-NSHDSACASA-N 1 1 414.438 0.850 20 0 HCADMO Cc1cc(C(=O)NCCCCN2CC[NH+](CCO)CC2)nn1-c1nc(C)cc(C)n1 ZINC000494298681 1077493333 /nfs/dbraw/zinc/49/33/33/1077493333.db2.gz QCUBHXAFIPKAPM-UHFFFAOYSA-N 1 1 415.542 0.707 20 0 HCADMO CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000494299185 1077492772 /nfs/dbraw/zinc/49/27/72/1077492772.db2.gz UJUNZISVUHEBSC-KRWDZBQOSA-N 1 1 414.572 0.061 20 0 HCADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000494299190 1077493125 /nfs/dbraw/zinc/49/31/25/1077493125.db2.gz UJUNZISVUHEBSC-QGZVFWFLSA-N 1 1 414.572 0.061 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CCCS(=O)(=O)N3CCCC3)CC2)CC1 ZINC000494299461 1077493292 /nfs/dbraw/zinc/49/32/92/1077493292.db2.gz XIVOSGWUTTUBEV-UHFFFAOYSA-N 1 1 414.572 0.205 20 0 HCADMO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000494303652 1077494501 /nfs/dbraw/zinc/49/45/01/1077494501.db2.gz LMWLCWYOCDPILK-AWEZNQCLSA-N 1 1 424.933 0.525 20 0 HCADMO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000494303653 1077494748 /nfs/dbraw/zinc/49/47/48/1077494748.db2.gz LMWLCWYOCDPILK-CQSZACIVSA-N 1 1 424.933 0.525 20 0 HCADMO O=C(CCN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494321308 1077507288 /nfs/dbraw/zinc/50/72/88/1077507288.db2.gz WSNCGXIIQMCJPV-UHFFFAOYSA-N 1 1 422.489 0.791 20 0 HCADMO Cc1nc(Cn2cc(C(=O)NCc3ccc(C[NH+]4CCN(C)CC4)cc3)nn2)no1 ZINC000494323843 1077507574 /nfs/dbraw/zinc/50/75/74/1077507574.db2.gz XTCDKFGLICGYTF-UHFFFAOYSA-N 1 1 410.482 0.695 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000494325204 1077507917 /nfs/dbraw/zinc/50/79/17/1077507917.db2.gz CZXFNBCLLUKHKE-INIZCTEOSA-N 1 1 411.524 0.393 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000494325208 1077507702 /nfs/dbraw/zinc/50/77/02/1077507702.db2.gz CZXFNBCLLUKHKE-MRXNPFEDSA-N 1 1 411.524 0.393 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000494325988 1077508588 /nfs/dbraw/zinc/50/85/88/1077508588.db2.gz GJDKPLSZECZRED-GFCCVEGCSA-N 1 1 401.460 0.083 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000494325991 1077508621 /nfs/dbraw/zinc/50/86/21/1077508621.db2.gz GJDKPLSZECZRED-LBPRGKRZSA-N 1 1 401.460 0.083 20 0 HCADMO O=C(NC1CC1)C(=O)N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000494326739 1077509157 /nfs/dbraw/zinc/50/91/57/1077509157.db2.gz GOXYBRAGOYIXAJ-UHFFFAOYSA-N 1 1 418.404 0.768 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000494328838 1077497976 /nfs/dbraw/zinc/49/79/76/1077497976.db2.gz JTAAAGBAGKGKCI-GFCCVEGCSA-N 1 1 419.450 0.222 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000494328839 1077498191 /nfs/dbraw/zinc/49/81/91/1077498191.db2.gz JTAAAGBAGKGKCI-LBPRGKRZSA-N 1 1 419.450 0.222 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000494330371 1077498968 /nfs/dbraw/zinc/49/89/68/1077498968.db2.gz OKUSHXOMDJHDKC-INIZCTEOSA-N 1 1 415.494 0.338 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000494330374 1077498820 /nfs/dbraw/zinc/49/88/20/1077498820.db2.gz OKUSHXOMDJHDKC-MRXNPFEDSA-N 1 1 415.494 0.338 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000494335203 1077500330 /nfs/dbraw/zinc/50/03/30/1077500330.db2.gz WDULIQZQJOIYQG-GOSISDBHSA-N 1 1 404.511 0.372 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000494335208 1077500120 /nfs/dbraw/zinc/50/01/20/1077500120.db2.gz WDULIQZQJOIYQG-SFHVURJKSA-N 1 1 404.511 0.372 20 0 HCADMO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000494335579 1077499579 /nfs/dbraw/zinc/49/95/79/1077499579.db2.gz UPUYPGIEJQNNBP-UHFFFAOYSA-N 1 1 415.512 0.959 20 0 HCADMO CCOC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000494339061 1077501597 /nfs/dbraw/zinc/50/15/97/1077501597.db2.gz CSWLRNBPMIVZPC-INIZCTEOSA-N 1 1 407.467 0.482 20 0 HCADMO CCOC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000494339064 1077501223 /nfs/dbraw/zinc/50/12/23/1077501223.db2.gz CSWLRNBPMIVZPC-MRXNPFEDSA-N 1 1 407.467 0.482 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 ZINC000494340263 1077502268 /nfs/dbraw/zinc/50/22/68/1077502268.db2.gz JOROMJGAWNTSDQ-KRWDZBQOSA-N 1 1 404.511 0.987 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 ZINC000494340264 1077502292 /nfs/dbraw/zinc/50/22/92/1077502292.db2.gz JOROMJGAWNTSDQ-QGZVFWFLSA-N 1 1 404.511 0.987 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000494341765 1077502074 /nfs/dbraw/zinc/50/20/74/1077502074.db2.gz QJNRZTDAZCIGJO-GOSISDBHSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000494341772 1074082084 /nfs/dbraw/zinc/08/20/84/1074082084.db2.gz QJNRZTDAZCIGJO-SFHVURJKSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 ZINC000494341980 1077502783 /nfs/dbraw/zinc/50/27/83/1077502783.db2.gz SKKJFUDWTJDTSM-INIZCTEOSA-N 1 1 420.510 0.316 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)CC1 ZINC000494341981 1077502922 /nfs/dbraw/zinc/50/29/22/1077502922.db2.gz SKKJFUDWTJDTSM-MRXNPFEDSA-N 1 1 420.510 0.316 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494346291 1077504067 /nfs/dbraw/zinc/50/40/67/1077504067.db2.gz GHONIJSDJMGKGV-DENIHFKCSA-N 1 1 418.538 0.919 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494346293 1077504248 /nfs/dbraw/zinc/50/42/48/1077504248.db2.gz GHONIJSDJMGKGV-KNQAVFIVSA-N 1 1 418.538 0.919 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494346294 1077504152 /nfs/dbraw/zinc/50/41/52/1077504152.db2.gz GHONIJSDJMGKGV-SIKLNZKXSA-N 1 1 418.538 0.919 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494346296 1077504084 /nfs/dbraw/zinc/50/40/84/1077504084.db2.gz GHONIJSDJMGKGV-UGKGYDQZSA-N 1 1 418.538 0.919 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000494347406 1077504928 /nfs/dbraw/zinc/50/49/28/1077504928.db2.gz JUORURSFZWKZSB-AWEZNQCLSA-N 1 1 419.511 0.238 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000494347411 1077504771 /nfs/dbraw/zinc/50/47/71/1077504771.db2.gz JUORURSFZWKZSB-CQSZACIVSA-N 1 1 419.511 0.238 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 ZINC000494347523 1077504738 /nfs/dbraw/zinc/50/47/38/1077504738.db2.gz KOYAFWWJJLJCIQ-INIZCTEOSA-N 1 1 401.471 0.214 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 ZINC000494347524 1077504815 /nfs/dbraw/zinc/50/48/15/1077504815.db2.gz KOYAFWWJJLJCIQ-MRXNPFEDSA-N 1 1 401.471 0.214 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)CC1 ZINC000494348470 1077507195 /nfs/dbraw/zinc/50/71/95/1077507195.db2.gz MJESQUFEAXLWCK-INIZCTEOSA-N 1 1 416.478 0.502 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(N3C(=O)CCC3=O)c2)CC1 ZINC000494348471 1077507314 /nfs/dbraw/zinc/50/73/14/1077507314.db2.gz MJESQUFEAXLWCK-MRXNPFEDSA-N 1 1 416.478 0.502 20 0 HCADMO C[C@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000494349050 1077516185 /nfs/dbraw/zinc/51/61/85/1077516185.db2.gz MLHJGZGIHZQLCE-CYBMUJFWSA-N 1 1 414.494 0.437 20 0 HCADMO C[C@@H](C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1)N1CC[NH+](C)CC1 ZINC000494349053 1077516276 /nfs/dbraw/zinc/51/62/76/1077516276.db2.gz MLHJGZGIHZQLCE-ZDUSSCGKSA-N 1 1 414.494 0.437 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000494349310 1077516026 /nfs/dbraw/zinc/51/60/26/1077516026.db2.gz NVLBZAWXFAFGKF-GOSISDBHSA-N 1 1 418.494 0.013 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000494349320 1077516397 /nfs/dbraw/zinc/51/63/97/1077516397.db2.gz NVLBZAWXFAFGKF-SFHVURJKSA-N 1 1 418.494 0.013 20 0 HCADMO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000494349924 1077517637 /nfs/dbraw/zinc/51/76/37/1077517637.db2.gz PAFKRNCSXQHBLD-UHFFFAOYSA-N 1 1 411.890 0.300 20 0 HCADMO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1 ZINC000494355882 1077510734 /nfs/dbraw/zinc/51/07/34/1077510734.db2.gz IEITZIWPLUJAFI-INIZCTEOSA-N 1 1 406.483 0.055 20 0 HCADMO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1 ZINC000494355883 1077510621 /nfs/dbraw/zinc/51/06/21/1077510621.db2.gz IEITZIWPLUJAFI-MRXNPFEDSA-N 1 1 406.483 0.055 20 0 HCADMO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000494356402 1077510543 /nfs/dbraw/zinc/51/05/43/1077510543.db2.gz KJKJHGNYLZYASV-KRWDZBQOSA-N 1 1 405.499 0.040 20 0 HCADMO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000494356403 1077510767 /nfs/dbraw/zinc/51/07/67/1077510767.db2.gz KJKJHGNYLZYASV-QGZVFWFLSA-N 1 1 405.499 0.040 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000494356657 1077510162 /nfs/dbraw/zinc/51/01/62/1077510162.db2.gz LUCYYNVVCYIKFM-HNNXBMFYSA-N 1 1 406.483 0.251 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000494356658 1077510896 /nfs/dbraw/zinc/51/08/96/1077510896.db2.gz LUCYYNVVCYIKFM-OAHLLOKOSA-N 1 1 406.483 0.251 20 0 HCADMO COCCc1cc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000494356739 1077510237 /nfs/dbraw/zinc/51/02/37/1077510237.db2.gz GAGAUYNJHHLYJW-UHFFFAOYSA-N 1 1 402.503 0.733 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000494357069 1077511298 /nfs/dbraw/zinc/51/12/98/1077511298.db2.gz OCCBSLIOCTYSHC-INIZCTEOSA-N 1 1 417.466 0.811 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000494357070 1077511214 /nfs/dbraw/zinc/51/12/14/1077511214.db2.gz OCCBSLIOCTYSHC-MRXNPFEDSA-N 1 1 417.466 0.811 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN(CC)C(C)=O)c2)CC1 ZINC000494357253 1077510816 /nfs/dbraw/zinc/51/08/16/1077510816.db2.gz OPKZIJBWKRHADZ-IBGZPJMESA-N 1 1 404.511 0.909 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CN(CC)C(C)=O)c2)CC1 ZINC000494357255 1077511249 /nfs/dbraw/zinc/51/12/49/1077511249.db2.gz OPKZIJBWKRHADZ-LJQANCHMSA-N 1 1 404.511 0.909 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000494357478 1077510513 /nfs/dbraw/zinc/51/05/13/1077510513.db2.gz PTSQPRDADZYIBI-MSOLQXFVSA-N 1 1 418.494 0.658 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000494357479 1077510842 /nfs/dbraw/zinc/51/08/42/1077510842.db2.gz PTSQPRDADZYIBI-QZTJIDSGSA-N 1 1 418.494 0.658 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000494357480 1077510935 /nfs/dbraw/zinc/51/09/35/1077510935.db2.gz PTSQPRDADZYIBI-ROUUACIJSA-N 1 1 418.494 0.658 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000494357482 1077510588 /nfs/dbraw/zinc/51/05/88/1077510588.db2.gz PTSQPRDADZYIBI-ZWKOTPCHSA-N 1 1 418.494 0.658 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000494358313 1077511922 /nfs/dbraw/zinc/51/19/22/1077511922.db2.gz UULUFFHLAXOSHJ-CYBMUJFWSA-N 1 1 404.389 0.876 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000494358314 1077511862 /nfs/dbraw/zinc/51/18/62/1077511862.db2.gz UULUFFHLAXOSHJ-ZDUSSCGKSA-N 1 1 404.389 0.876 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 ZINC000494359078 1077512761 /nfs/dbraw/zinc/51/27/61/1077512761.db2.gz XVRWWBFHXSHRAB-INIZCTEOSA-N 1 1 409.483 0.574 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 ZINC000494359080 1077512374 /nfs/dbraw/zinc/51/23/74/1077512374.db2.gz XVRWWBFHXSHRAB-MRXNPFEDSA-N 1 1 409.483 0.574 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000494359096 1077512744 /nfs/dbraw/zinc/51/27/44/1077512744.db2.gz XYZVSXHXEWICCR-AWEZNQCLSA-N 1 1 408.524 0.508 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 ZINC000494359097 1077512587 /nfs/dbraw/zinc/51/25/87/1077512587.db2.gz XYZVSXHXEWICCR-CQSZACIVSA-N 1 1 408.524 0.508 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)CC1 ZINC000494359335 1077511780 /nfs/dbraw/zinc/51/17/80/1077511780.db2.gz YZAKYSBSISWJQF-HNNXBMFYSA-N 1 1 401.467 0.740 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)CC1 ZINC000494359336 1077511716 /nfs/dbraw/zinc/51/17/16/1077511716.db2.gz YZAKYSBSISWJQF-OAHLLOKOSA-N 1 1 401.467 0.740 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 ZINC000494359342 1077511809 /nfs/dbraw/zinc/51/18/09/1077511809.db2.gz ZCUZJXSJHFPERE-KRWDZBQOSA-N 1 1 402.495 0.741 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 ZINC000494359343 1077512087 /nfs/dbraw/zinc/51/20/87/1077512087.db2.gz ZCUZJXSJHFPERE-QGZVFWFLSA-N 1 1 402.495 0.741 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 ZINC000494361777 1077513339 /nfs/dbraw/zinc/51/33/39/1077513339.db2.gz BMOVPECGIJYBEV-KRWDZBQOSA-N 1 1 423.535 0.946 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 ZINC000494361782 1077513135 /nfs/dbraw/zinc/51/31/35/1077513135.db2.gz BMOVPECGIJYBEV-QGZVFWFLSA-N 1 1 423.535 0.946 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000494362414 1077513250 /nfs/dbraw/zinc/51/32/50/1077513250.db2.gz CXDDZVQSYQVJSG-INIZCTEOSA-N 1 1 406.483 0.007 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000494362415 1077513188 /nfs/dbraw/zinc/51/31/88/1077513188.db2.gz CXDDZVQSYQVJSG-MRXNPFEDSA-N 1 1 406.483 0.007 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 ZINC000494362737 1077512489 /nfs/dbraw/zinc/51/24/89/1077512489.db2.gz DDHRIVKPBVIGIH-AWEZNQCLSA-N 1 1 410.902 0.895 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 ZINC000494362744 1077512464 /nfs/dbraw/zinc/51/24/64/1077512464.db2.gz DDHRIVKPBVIGIH-CQSZACIVSA-N 1 1 410.902 0.895 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000494365845 1077514253 /nfs/dbraw/zinc/51/42/53/1077514253.db2.gz GQBAYUDNEVZEAW-INIZCTEOSA-N 1 1 403.483 0.460 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000494365846 1077514368 /nfs/dbraw/zinc/51/43/68/1077514368.db2.gz GQBAYUDNEVZEAW-MRXNPFEDSA-N 1 1 403.483 0.460 20 0 HCADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000494366531 1077514584 /nfs/dbraw/zinc/51/45/84/1077514584.db2.gz IAWSHYIIEHFPJO-INIZCTEOSA-N 1 1 420.510 0.641 20 0 HCADMO CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000494366543 1077514288 /nfs/dbraw/zinc/51/42/88/1077514288.db2.gz IAWSHYIIEHFPJO-MRXNPFEDSA-N 1 1 420.510 0.641 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CC1 ZINC000494367794 1077515074 /nfs/dbraw/zinc/51/50/74/1077515074.db2.gz JRNRNAWVGJBFNK-GOSISDBHSA-N 1 1 404.511 0.607 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CC1 ZINC000494367797 1077514925 /nfs/dbraw/zinc/51/49/25/1077514925.db2.gz JRNRNAWVGJBFNK-SFHVURJKSA-N 1 1 404.511 0.607 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000494368993 1077514994 /nfs/dbraw/zinc/51/49/94/1077514994.db2.gz RAGTXDCXGJILFK-HNNXBMFYSA-N 1 1 406.483 0.251 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000494368996 1077515579 /nfs/dbraw/zinc/51/55/79/1077515579.db2.gz RAGTXDCXGJILFK-OAHLLOKOSA-N 1 1 406.483 0.251 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000494373536 1077520048 /nfs/dbraw/zinc/52/00/48/1077520048.db2.gz YEISEGIQRPPACB-INIZCTEOSA-N 1 1 418.494 0.013 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000494373537 1077520215 /nfs/dbraw/zinc/52/02/15/1077520215.db2.gz YEISEGIQRPPACB-MRXNPFEDSA-N 1 1 418.494 0.013 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(CC)CC)cc2)CC1 ZINC000494375561 1077521417 /nfs/dbraw/zinc/52/14/17/1077521417.db2.gz FVDKDJXNLRJCQH-IBGZPJMESA-N 1 1 418.538 0.951 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N(CC)CC)cc2)CC1 ZINC000494375562 1077521252 /nfs/dbraw/zinc/52/12/52/1077521252.db2.gz FVDKDJXNLRJCQH-LJQANCHMSA-N 1 1 418.538 0.951 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000494376955 1077522681 /nfs/dbraw/zinc/52/26/81/1077522681.db2.gz LRWZTXWLGBZNGV-KRWDZBQOSA-N 1 1 416.478 0.189 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000494376956 1077522846 /nfs/dbraw/zinc/52/28/46/1077522846.db2.gz LRWZTXWLGBZNGV-QGZVFWFLSA-N 1 1 416.478 0.189 20 0 HCADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494377307 1077522716 /nfs/dbraw/zinc/52/27/16/1077522716.db2.gz YAKACQYWFCKEJT-KRWDZBQOSA-N 1 1 403.570 0.900 20 0 HCADMO CCS(=O)(=O)NCCS(=O)(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494377308 1077522470 /nfs/dbraw/zinc/52/24/70/1077522470.db2.gz YAKACQYWFCKEJT-QGZVFWFLSA-N 1 1 403.570 0.900 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3nc(C)no3)cc2)CC1 ZINC000494378005 1077523441 /nfs/dbraw/zinc/52/34/41/1077523441.db2.gz PADDVABLMWNIGW-INIZCTEOSA-N 1 1 417.466 0.811 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCc3nc(C)no3)cc2)CC1 ZINC000494378006 1077523320 /nfs/dbraw/zinc/52/33/20/1077523320.db2.gz PADDVABLMWNIGW-MRXNPFEDSA-N 1 1 417.466 0.811 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H]3CN(C4CC4)CCO3)CC2)CC1 ZINC000494378732 1077522615 /nfs/dbraw/zinc/52/26/15/1077522615.db2.gz SPTIKYOYQCSTAO-IBGZPJMESA-N 1 1 407.559 0.435 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H]3CN(C4CC4)CCO3)CC2)CC1 ZINC000494378733 1077522440 /nfs/dbraw/zinc/52/24/40/1077522440.db2.gz SPTIKYOYQCSTAO-LJQANCHMSA-N 1 1 407.559 0.435 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000494378753 1077522524 /nfs/dbraw/zinc/52/25/24/1077522524.db2.gz SUXXYLIHULQMOP-KRWDZBQOSA-N 1 1 400.483 0.738 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000494378754 1077522499 /nfs/dbraw/zinc/52/24/99/1077522499.db2.gz SUXXYLIHULQMOP-QGZVFWFLSA-N 1 1 400.483 0.738 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 ZINC000494379879 1077523836 /nfs/dbraw/zinc/52/38/36/1077523836.db2.gz YCDUTKLEQPPSOF-KRWDZBQOSA-N 1 1 404.511 0.987 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 ZINC000494379880 1077523767 /nfs/dbraw/zinc/52/37/67/1077523767.db2.gz YCDUTKLEQPPSOF-QGZVFWFLSA-N 1 1 404.511 0.987 20 0 HCADMO Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1=O ZINC000494382905 1077524322 /nfs/dbraw/zinc/52/43/22/1077524322.db2.gz FQTRYHKDHUVAHF-IBGZPJMESA-N 1 1 411.506 0.987 20 0 HCADMO Cn1c2ccccc2cc(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1=O ZINC000494382907 1077524718 /nfs/dbraw/zinc/52/47/18/1077524718.db2.gz FQTRYHKDHUVAHF-LJQANCHMSA-N 1 1 411.506 0.987 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000494382996 1077524352 /nfs/dbraw/zinc/52/43/52/1077524352.db2.gz GCVXGAPFWFVOQJ-GOSISDBHSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000494382998 1077524589 /nfs/dbraw/zinc/52/45/89/1077524589.db2.gz GCVXGAPFWFVOQJ-SFHVURJKSA-N 1 1 402.495 0.776 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494384032 1077525058 /nfs/dbraw/zinc/52/50/58/1077525058.db2.gz GWALYYYSISLAIW-AVRDEDQJSA-N 1 1 416.522 0.609 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494384034 1077525317 /nfs/dbraw/zinc/52/53/17/1077525317.db2.gz GWALYYYSISLAIW-GCJKJVERSA-N 1 1 416.522 0.609 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494384036 1077525231 /nfs/dbraw/zinc/52/52/31/1077525231.db2.gz GWALYYYSISLAIW-PGRDOPGGSA-N 1 1 416.522 0.609 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494384038 1077525091 /nfs/dbraw/zinc/52/50/91/1077525091.db2.gz GWALYYYSISLAIW-XMSQKQJNSA-N 1 1 416.522 0.609 20 0 HCADMO COC(=O)C(C)(C)N1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000494384554 1077524758 /nfs/dbraw/zinc/52/47/58/1077524758.db2.gz HYUBMUPLZFSKJY-UHFFFAOYSA-N 1 1 413.540 0.885 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494384787 1077524504 /nfs/dbraw/zinc/52/45/04/1077524504.db2.gz ILEMIJCTRDIVQJ-DYESRHJHSA-N 1 1 402.495 0.680 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@]3(C)CO)cc2)CC1 ZINC000494384788 1077524634 /nfs/dbraw/zinc/52/46/34/1077524634.db2.gz ILEMIJCTRDIVQJ-LAUBAEHRSA-N 1 1 402.495 0.680 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494384789 1077524430 /nfs/dbraw/zinc/52/44/30/1077524430.db2.gz ILEMIJCTRDIVQJ-UTKZUKDTSA-N 1 1 402.495 0.680 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@]3(C)CO)cc2)CC1 ZINC000494384790 1077524383 /nfs/dbraw/zinc/52/43/83/1077524383.db2.gz ILEMIJCTRDIVQJ-UWJYYQICSA-N 1 1 402.495 0.680 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000494385406 1077525170 /nfs/dbraw/zinc/52/51/70/1077525170.db2.gz MOHAMEYEYAOTNZ-INIZCTEOSA-N 1 1 406.483 0.007 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000494385407 1077525395 /nfs/dbraw/zinc/52/53/95/1077525395.db2.gz MOHAMEYEYAOTNZ-MRXNPFEDSA-N 1 1 406.483 0.007 20 0 HCADMO COC(=O)C(C)(C)N1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000494386057 1077525746 /nfs/dbraw/zinc/52/57/46/1077525746.db2.gz LTQRAOCPZLQOLX-INIZCTEOSA-N 1 1 404.467 0.433 20 0 HCADMO COC(=O)C(C)(C)N1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000494386058 1077526034 /nfs/dbraw/zinc/52/60/34/1077526034.db2.gz LTQRAOCPZLQOLX-MRXNPFEDSA-N 1 1 404.467 0.433 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CC1 ZINC000494386744 1077526009 /nfs/dbraw/zinc/52/60/09/1077526009.db2.gz QBCYXKMLGZMCKM-KRWDZBQOSA-N 1 1 413.478 0.505 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CC1 ZINC000494386745 1077525660 /nfs/dbraw/zinc/52/56/60/1077525660.db2.gz QBCYXKMLGZMCKM-QGZVFWFLSA-N 1 1 413.478 0.505 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000494386840 1077526443 /nfs/dbraw/zinc/52/64/43/1077526443.db2.gz ORTAMXYCUNZIKH-GOSISDBHSA-N 1 1 413.478 0.145 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000494386842 1077526615 /nfs/dbraw/zinc/52/66/15/1077526615.db2.gz ORTAMXYCUNZIKH-SFHVURJKSA-N 1 1 413.478 0.145 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000494389394 1077527208 /nfs/dbraw/zinc/52/72/08/1077527208.db2.gz WKUBBHWADFFJCS-INIZCTEOSA-N 1 1 413.482 0.529 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000494389397 1077527081 /nfs/dbraw/zinc/52/70/81/1077527081.db2.gz WKUBBHWADFFJCS-MRXNPFEDSA-N 1 1 413.482 0.529 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000494389771 1077526499 /nfs/dbraw/zinc/52/64/99/1077526499.db2.gz ZEWXPSTZQKWGML-INIZCTEOSA-N 1 1 402.373 0.651 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000494389775 1077526348 /nfs/dbraw/zinc/52/63/48/1077526348.db2.gz ZEWXPSTZQKWGML-MRXNPFEDSA-N 1 1 402.373 0.651 20 0 HCADMO CC[N@@H+](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CCC(F)(F)F ZINC000494390949 1077534528 /nfs/dbraw/zinc/53/45/28/1077534528.db2.gz DNGJNCVTMNNUJL-UHFFFAOYSA-N 1 1 423.417 0.587 20 0 HCADMO CC[N@H+](CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)CCC(F)(F)F ZINC000494390949 1077534521 /nfs/dbraw/zinc/53/45/21/1077534521.db2.gz DNGJNCVTMNNUJL-UHFFFAOYSA-N 1 1 423.417 0.587 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 ZINC000494393020 1077534819 /nfs/dbraw/zinc/53/48/19/1077534819.db2.gz NSRPJVCVIOVJGS-KRWDZBQOSA-N 1 1 415.494 0.241 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 ZINC000494393021 1077534734 /nfs/dbraw/zinc/53/47/34/1077534734.db2.gz NSRPJVCVIOVJGS-QGZVFWFLSA-N 1 1 415.494 0.241 20 0 HCADMO COC(=O)C(C)(C)N1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000494394640 1077535200 /nfs/dbraw/zinc/53/52/00/1077535200.db2.gz WBYIBEQKVKSFPA-UHFFFAOYSA-N 1 1 402.539 0.900 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC1 ZINC000494398848 1077528113 /nfs/dbraw/zinc/52/81/13/1077528113.db2.gz RCFOQIJRXLULRN-CYBMUJFWSA-N 1 1 406.874 0.774 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)CC1 ZINC000494398852 1077528280 /nfs/dbraw/zinc/52/82/80/1077528280.db2.gz RCFOQIJRXLULRN-ZDUSSCGKSA-N 1 1 406.874 0.774 20 0 HCADMO CC[N@@H+](CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CCC(F)(F)F ZINC000494398923 1077528607 /nfs/dbraw/zinc/52/86/07/1077528607.db2.gz RJXVOLBLEQNXEK-UHFFFAOYSA-N 1 1 403.448 0.887 20 0 HCADMO CC[N@H+](CCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)CCC(F)(F)F ZINC000494398923 1077528589 /nfs/dbraw/zinc/52/85/89/1077528589.db2.gz RJXVOLBLEQNXEK-UHFFFAOYSA-N 1 1 403.448 0.887 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 ZINC000494399287 1077528732 /nfs/dbraw/zinc/52/87/32/1077528732.db2.gz SSMMOXBWWXABKN-KRWDZBQOSA-N 1 1 404.511 0.685 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 ZINC000494399290 1077528729 /nfs/dbraw/zinc/52/87/29/1077528729.db2.gz SSMMOXBWWXABKN-QGZVFWFLSA-N 1 1 404.511 0.685 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 ZINC000494400101 1077528680 /nfs/dbraw/zinc/52/86/80/1077528680.db2.gz WIFIOIKXFHBUTG-INIZCTEOSA-N 1 1 418.494 0.676 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 ZINC000494400102 1077528559 /nfs/dbraw/zinc/52/85/59/1077528559.db2.gz WIFIOIKXFHBUTG-MRXNPFEDSA-N 1 1 418.494 0.676 20 0 HCADMO CC[N@@H+](CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CCC(F)(F)F ZINC000494402795 1077529189 /nfs/dbraw/zinc/52/91/89/1077529189.db2.gz GBVCZLWZCITJST-UHFFFAOYSA-N 1 1 408.402 0.769 20 0 HCADMO CC[N@H+](CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)CCC(F)(F)F ZINC000494402795 1077529177 /nfs/dbraw/zinc/52/91/77/1077529177.db2.gz GBVCZLWZCITJST-UHFFFAOYSA-N 1 1 408.402 0.769 20 0 HCADMO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000494404211 1077529546 /nfs/dbraw/zinc/52/95/46/1077529546.db2.gz JEFHIQOYSWQHBK-FXAWDEMLSA-N 1 1 418.538 0.933 20 0 HCADMO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000494404214 1077529610 /nfs/dbraw/zinc/52/96/10/1077529610.db2.gz JEFHIQOYSWQHBK-PXNSSMCTSA-N 1 1 418.538 0.933 20 0 HCADMO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000494404218 1077529492 /nfs/dbraw/zinc/52/94/92/1077529492.db2.gz JEFHIQOYSWQHBK-XLIONFOSSA-N 1 1 418.538 0.933 20 0 HCADMO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000494404222 1077529628 /nfs/dbraw/zinc/52/96/28/1077529628.db2.gz JEFHIQOYSWQHBK-YLJYHZDGSA-N 1 1 418.538 0.933 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000494406706 1077530014 /nfs/dbraw/zinc/53/00/14/1077530014.db2.gz QOWOFTWMLJIJBD-NRFANRHFSA-N 1 1 407.559 0.973 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000494406711 1077530084 /nfs/dbraw/zinc/53/00/84/1077530084.db2.gz QOWOFTWMLJIJBD-OAQYLSRUSA-N 1 1 407.559 0.973 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 ZINC000494406727 1077530057 /nfs/dbraw/zinc/53/00/57/1077530057.db2.gz QBGSXYMUNHKVOZ-HNNXBMFYSA-N 1 1 406.458 0.806 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 ZINC000494406730 1077530114 /nfs/dbraw/zinc/53/01/14/1077530114.db2.gz QBGSXYMUNHKVOZ-OAHLLOKOSA-N 1 1 406.458 0.806 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)CC2)cc[nH+]1 ZINC000494408238 1077531271 /nfs/dbraw/zinc/53/12/71/1077531271.db2.gz WQXRLTIILVXRIF-NRFANRHFSA-N 1 1 423.477 0.560 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)CC2)cc[nH+]1 ZINC000494408243 1077531379 /nfs/dbraw/zinc/53/13/79/1077531379.db2.gz WQXRLTIILVXRIF-OAQYLSRUSA-N 1 1 423.477 0.560 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000494410012 1077531221 /nfs/dbraw/zinc/53/12/21/1077531221.db2.gz DASKHEQMEULYEW-CYBMUJFWSA-N 1 1 423.901 0.723 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC000494410014 1077531636 /nfs/dbraw/zinc/53/16/36/1077531636.db2.gz DASKHEQMEULYEW-ZDUSSCGKSA-N 1 1 423.901 0.723 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 ZINC000494412453 1077531748 /nfs/dbraw/zinc/53/17/48/1077531748.db2.gz KWJIWAYGOSOMFY-GOSISDBHSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 ZINC000494412454 1077531669 /nfs/dbraw/zinc/53/16/69/1077531669.db2.gz KWJIWAYGOSOMFY-SFHVURJKSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000494412918 1077532740 /nfs/dbraw/zinc/53/27/40/1077532740.db2.gz MHUSQYLVPCRREL-INIZCTEOSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000494412919 1077532544 /nfs/dbraw/zinc/53/25/44/1077532544.db2.gz MHUSQYLVPCRREL-MRXNPFEDSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1 ZINC000494413821 1077532334 /nfs/dbraw/zinc/53/23/34/1077532334.db2.gz NVBAKGCWYPOVBS-AWEZNQCLSA-N 1 1 423.466 0.344 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1 ZINC000494413822 1077532585 /nfs/dbraw/zinc/53/25/85/1077532585.db2.gz NVBAKGCWYPOVBS-CQSZACIVSA-N 1 1 423.466 0.344 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000494413827 1077532685 /nfs/dbraw/zinc/53/26/85/1077532685.db2.gz DWQPHEMISJMBRU-GOSISDBHSA-N 1 1 418.494 0.013 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000494413829 1077532864 /nfs/dbraw/zinc/53/28/64/1077532864.db2.gz DWQPHEMISJMBRU-SFHVURJKSA-N 1 1 418.494 0.013 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000494414386 1077532889 /nfs/dbraw/zinc/53/28/89/1077532889.db2.gz GELYZIOZXBJFST-GOSISDBHSA-N 1 1 402.495 0.839 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000494414387 1077532621 /nfs/dbraw/zinc/53/26/21/1077532621.db2.gz GELYZIOZXBJFST-SFHVURJKSA-N 1 1 402.495 0.839 20 0 HCADMO CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000494414871 1077533103 /nfs/dbraw/zinc/53/31/03/1077533103.db2.gz GYBRXKOMQZGUET-FQEVSTJZSA-N 1 1 418.538 0.415 20 0 HCADMO CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000494414873 1077533195 /nfs/dbraw/zinc/53/31/95/1077533195.db2.gz GYBRXKOMQZGUET-HXUWFJFHSA-N 1 1 418.538 0.415 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 ZINC000494416193 1077533436 /nfs/dbraw/zinc/53/34/36/1077533436.db2.gz JSGOIKCRXJPZSZ-GOSISDBHSA-N 1 1 404.511 0.909 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 ZINC000494416194 1077533516 /nfs/dbraw/zinc/53/35/16/1077533516.db2.gz JSGOIKCRXJPZSZ-SFHVURJKSA-N 1 1 404.511 0.909 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000494416563 1077533668 /nfs/dbraw/zinc/53/36/68/1077533668.db2.gz KFOQWJRVFBDPER-KRWDZBQOSA-N 1 1 408.474 0.516 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000494416564 1077533740 /nfs/dbraw/zinc/53/37/40/1077533740.db2.gz KFOQWJRVFBDPER-QGZVFWFLSA-N 1 1 408.474 0.516 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 ZINC000494416600 1077533641 /nfs/dbraw/zinc/53/36/41/1077533641.db2.gz KNPHUNSXDDYQCZ-HNNXBMFYSA-N 1 1 407.467 0.400 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 ZINC000494416601 1077533464 /nfs/dbraw/zinc/53/34/64/1077533464.db2.gz KNPHUNSXDDYQCZ-OAHLLOKOSA-N 1 1 407.467 0.400 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000494417543 1077532407 /nfs/dbraw/zinc/53/24/07/1077532407.db2.gz MPWJKUYZOZGTSS-INIZCTEOSA-N 1 1 406.483 0.055 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000494417544 1077532353 /nfs/dbraw/zinc/53/23/53/1077532353.db2.gz MPWJKUYZOZGTSS-MRXNPFEDSA-N 1 1 406.483 0.055 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000494421353 1077540200 /nfs/dbraw/zinc/54/02/00/1077540200.db2.gz YMLNUZMTQXEVCC-INIZCTEOSA-N 1 1 424.523 0.080 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000494421354 1077540659 /nfs/dbraw/zinc/54/06/59/1077540659.db2.gz YMLNUZMTQXEVCC-MRXNPFEDSA-N 1 1 424.523 0.080 20 0 HCADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc[nH+]1 ZINC000494422267 1077535560 /nfs/dbraw/zinc/53/55/60/1077535560.db2.gz BOAANBPHWXWXML-BHYGNILZSA-N 1 1 421.521 0.622 20 0 HCADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CN(C3CC3)CCO2)cc[nH+]1 ZINC000494422268 1077535753 /nfs/dbraw/zinc/53/57/53/1077535753.db2.gz BOAANBPHWXWXML-XIRDDKMYSA-N 1 1 421.521 0.622 20 0 HCADMO CCC1(O)CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000494423702 1077535606 /nfs/dbraw/zinc/53/56/06/1077535606.db2.gz GGIQTRCWKFAUOO-UHFFFAOYSA-N 1 1 416.522 0.705 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 ZINC000494424630 1077535499 /nfs/dbraw/zinc/53/54/99/1077535499.db2.gz JLFRNDFFKUMISV-PBHICJAKSA-N 1 1 406.483 0.514 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 ZINC000494424717 1077535669 /nfs/dbraw/zinc/53/56/69/1077535669.db2.gz JLFRNDFFKUMISV-RHSMWYFYSA-N 1 1 406.483 0.514 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000494424718 1077535582 /nfs/dbraw/zinc/53/55/82/1077535582.db2.gz JLFRNDFFKUMISV-WMLDXEAASA-N 1 1 406.483 0.514 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000494424719 1077535737 /nfs/dbraw/zinc/53/57/37/1077535737.db2.gz JLFRNDFFKUMISV-YOEHRIQHSA-N 1 1 406.483 0.514 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 ZINC000494425539 1077535954 /nfs/dbraw/zinc/53/59/54/1077535954.db2.gz MDJJWWBGTMGNFT-KRWDZBQOSA-N 1 1 404.511 0.987 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 ZINC000494425541 1077536134 /nfs/dbraw/zinc/53/61/34/1077536134.db2.gz MDJJWWBGTMGNFT-QGZVFWFLSA-N 1 1 404.511 0.987 20 0 HCADMO COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494426087 1077536430 /nfs/dbraw/zinc/53/64/30/1077536430.db2.gz AFDLUAUISYSMMU-IBGZPJMESA-N 1 1 420.554 0.715 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000494427911 1077537229 /nfs/dbraw/zinc/53/72/29/1077537229.db2.gz UVVVDIZZQMFGMR-INIZCTEOSA-N 1 1 416.478 0.189 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000494427912 1077537166 /nfs/dbraw/zinc/53/71/66/1077537166.db2.gz UVVVDIZZQMFGMR-MRXNPFEDSA-N 1 1 416.478 0.189 20 0 HCADMO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)cc21 ZINC000494428992 1077537611 /nfs/dbraw/zinc/53/76/11/1077537611.db2.gz XHYIKXMLVNBWEF-KRWDZBQOSA-N 1 1 417.510 0.632 20 0 HCADMO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)N3CC[NH+]([C@H](CC)CO)CC3)cc21 ZINC000494428997 1077537710 /nfs/dbraw/zinc/53/77/10/1077537710.db2.gz XHYIKXMLVNBWEF-QGZVFWFLSA-N 1 1 417.510 0.632 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)CC1 ZINC000494429735 1077537381 /nfs/dbraw/zinc/53/73/81/1077537381.db2.gz YTHMBGNUVKQJHE-AWEZNQCLSA-N 1 1 410.902 0.895 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)CC1 ZINC000494429742 1077537360 /nfs/dbraw/zinc/53/73/60/1077537360.db2.gz YTHMBGNUVKQJHE-CQSZACIVSA-N 1 1 410.902 0.895 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000494431212 1077538165 /nfs/dbraw/zinc/53/81/65/1077538165.db2.gz DAFBCLJONCBMMW-GOSISDBHSA-N 1 1 402.495 0.663 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000494431214 1077538038 /nfs/dbraw/zinc/53/80/38/1077538038.db2.gz DAFBCLJONCBMMW-SFHVURJKSA-N 1 1 402.495 0.663 20 0 HCADMO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000494431735 1077537720 /nfs/dbraw/zinc/53/77/20/1077537720.db2.gz FRNMWLHSUBSTQW-INIZCTEOSA-N 1 1 406.483 0.055 20 0 HCADMO CCNC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)c1 ZINC000494431736 1077538198 /nfs/dbraw/zinc/53/81/98/1077538198.db2.gz FRNMWLHSUBSTQW-MRXNPFEDSA-N 1 1 406.483 0.055 20 0 HCADMO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](C[C@H](C)O)CC1 ZINC000494433842 1077538906 /nfs/dbraw/zinc/53/89/06/1077538906.db2.gz KFTQELSQHYPXQQ-NWDGAFQWSA-N 1 1 402.417 0.546 20 0 HCADMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000494433843 1077539018 /nfs/dbraw/zinc/53/90/18/1077539018.db2.gz KFTQELSQHYPXQQ-RYUDHWBXSA-N 1 1 402.417 0.546 20 0 HCADMO CCC1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000494433916 1077539113 /nfs/dbraw/zinc/53/91/13/1077539113.db2.gz XGNDHDYQULNLRS-UHFFFAOYSA-N 1 1 402.495 0.776 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000494435190 1077538944 /nfs/dbraw/zinc/53/89/44/1077538944.db2.gz MRNNYJOBFCDWFP-INIZCTEOSA-N 1 1 424.523 0.080 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000494435191 1077539123 /nfs/dbraw/zinc/53/91/23/1077539123.db2.gz MRNNYJOBFCDWFP-MRXNPFEDSA-N 1 1 424.523 0.080 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000494435634 1077538934 /nfs/dbraw/zinc/53/89/34/1077538934.db2.gz NRBLMJGMYPHFHE-KRWDZBQOSA-N 1 1 424.567 0.798 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)CC1 ZINC000494437500 1077539430 /nfs/dbraw/zinc/53/94/30/1077539430.db2.gz UCMJQCQEZBMAJW-INIZCTEOSA-N 1 1 407.467 0.482 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)CC1 ZINC000494437502 1077539409 /nfs/dbraw/zinc/53/94/09/1077539409.db2.gz UCMJQCQEZBMAJW-MRXNPFEDSA-N 1 1 407.467 0.482 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 ZINC000494438787 1077539967 /nfs/dbraw/zinc/53/99/67/1077539967.db2.gz YDRCTCYRLUNVEZ-AWEZNQCLSA-N 1 1 421.450 0.113 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 ZINC000494438788 1077539737 /nfs/dbraw/zinc/53/97/37/1077539737.db2.gz YDRCTCYRLUNVEZ-CQSZACIVSA-N 1 1 421.450 0.113 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000494444781 1077540913 /nfs/dbraw/zinc/54/09/13/1077540913.db2.gz NQTYVUKDGHUVJM-HOTGVXAUSA-N 1 1 412.556 0.699 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000494444792 1077540952 /nfs/dbraw/zinc/54/09/52/1077540952.db2.gz NQTYVUKDGHUVJM-JKSUJKDBSA-N 1 1 412.556 0.699 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000494449039 1077541721 /nfs/dbraw/zinc/54/17/21/1077541721.db2.gz CBIOGUNHYBQGRH-ZDUSSCGKSA-N 1 1 403.462 0.616 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)CC1 ZINC000494449438 1077541446 /nfs/dbraw/zinc/54/14/46/1077541446.db2.gz IOXNYZJNBRGJOL-INIZCTEOSA-N 1 1 418.494 0.676 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)CC1 ZINC000494449440 1077541407 /nfs/dbraw/zinc/54/14/07/1077541407.db2.gz IOXNYZJNBRGJOL-MRXNPFEDSA-N 1 1 418.494 0.676 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000494451718 1077541753 /nfs/dbraw/zinc/54/17/53/1077541753.db2.gz GXJUCIFQFQEVNY-INIZCTEOSA-N 1 1 410.540 0.408 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nncn3CC)c2)CC1 ZINC000494452162 1077542253 /nfs/dbraw/zinc/54/22/53/1077542253.db2.gz NHSOTTMKXSDLQI-KRWDZBQOSA-N 1 1 400.483 0.819 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3nncn3CC)c2)CC1 ZINC000494452163 1077542339 /nfs/dbraw/zinc/54/23/39/1077542339.db2.gz NHSOTTMKXSDLQI-QGZVFWFLSA-N 1 1 400.483 0.819 20 0 HCADMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494454018 1077542751 /nfs/dbraw/zinc/54/27/51/1077542751.db2.gz RJZISEFMLNJWQB-HNAYVOBHSA-N 1 1 402.495 0.367 20 0 HCADMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494454020 1077542801 /nfs/dbraw/zinc/54/28/01/1077542801.db2.gz RJZISEFMLNJWQB-KXBFYZLASA-N 1 1 402.495 0.367 20 0 HCADMO COc1cc(C[NH2+]Cc2cc(C(N)=O)co2)ccc1OCC(=O)N1CCOCC1 ZINC000494455682 1077542659 /nfs/dbraw/zinc/54/26/59/1077542659.db2.gz MRIMJTJMLGZFDR-UHFFFAOYSA-N 1 1 403.435 0.915 20 0 HCADMO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494456231 1077543050 /nfs/dbraw/zinc/54/30/50/1077543050.db2.gz NOIZKBGHCWFLHA-KRWDZBQOSA-N 1 1 406.527 0.871 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000494456776 1077542997 /nfs/dbraw/zinc/54/29/97/1077542997.db2.gz YHGSBMWCHLRLPH-GFCCVEGCSA-N 1 1 417.915 0.597 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000494456777 1077543151 /nfs/dbraw/zinc/54/31/51/1077543151.db2.gz YHGSBMWCHLRLPH-LBPRGKRZSA-N 1 1 417.915 0.597 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc(C(=O)OC)c1 ZINC000494457708 1077543094 /nfs/dbraw/zinc/54/30/94/1077543094.db2.gz SCUYCDNUYZFQQI-KBPBESRZSA-N 1 1 407.467 0.585 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)cc(C(=O)OC)c1 ZINC000494457709 1077543191 /nfs/dbraw/zinc/54/31/91/1077543191.db2.gz SCUYCDNUYZFQQI-UONOGXRCSA-N 1 1 407.467 0.585 20 0 HCADMO Cc1cc(N2CCN(C(=O)CN3CC[NH+](C[C@H](C)O)CC3)CC2)nc(C(C)C)n1 ZINC000494462205 1077544098 /nfs/dbraw/zinc/54/40/98/1077544098.db2.gz ASRZFSGWGCYZBV-SFHVURJKSA-N 1 1 404.559 0.555 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000494463073 1077543998 /nfs/dbraw/zinc/54/39/98/1077543998.db2.gz IWVHVJFFUOFBCW-SFHVURJKSA-N 1 1 402.539 0.264 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(=O)n(C)c1=O ZINC000494463356 1077543969 /nfs/dbraw/zinc/54/39/69/1077543969.db2.gz FOGJYYVEKOBYOR-DOMZBBRYSA-N 1 1 410.833 0.761 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(=O)n(C)c1=O ZINC000494463359 1077544067 /nfs/dbraw/zinc/54/40/67/1077544067.db2.gz FOGJYYVEKOBYOR-IUODEOHRSA-N 1 1 410.833 0.761 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(=O)n(C)c1=O ZINC000494463360 1077543941 /nfs/dbraw/zinc/54/39/41/1077543941.db2.gz FOGJYYVEKOBYOR-SWLSCSKDSA-N 1 1 410.833 0.761 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(=O)n(C)c1=O ZINC000494463361 1077544049 /nfs/dbraw/zinc/54/40/49/1077544049.db2.gz FOGJYYVEKOBYOR-WFASDCNBSA-N 1 1 410.833 0.761 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000494464178 1077544562 /nfs/dbraw/zinc/54/45/62/1077544562.db2.gz INNNYWRSQGWJGJ-INIZCTEOSA-N 1 1 412.556 0.654 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000494464444 1077544407 /nfs/dbraw/zinc/54/44/07/1077544407.db2.gz JZQSZQTZVVIGBQ-INIZCTEOSA-N 1 1 412.556 0.654 20 0 HCADMO CCCCN(C(=O)CN1CC[NH+](C[C@H](C)O)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000494465502 1077544443 /nfs/dbraw/zinc/54/44/43/1077544443.db2.gz WFFYMVOQPDLZSI-HNNXBMFYSA-N 1 1 424.546 0.073 20 0 HCADMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494466881 1077544524 /nfs/dbraw/zinc/54/45/24/1077544524.db2.gz GFDHIXLGQWYMEU-NSHDSACASA-N 1 1 412.512 0.269 20 0 HCADMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000494467084 1077544963 /nfs/dbraw/zinc/54/49/63/1077544963.db2.gz QPWSZLVAZXACNG-OALUTQOASA-N 1 1 404.555 0.522 20 0 HCADMO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000494467085 1077544882 /nfs/dbraw/zinc/54/48/82/1077544882.db2.gz QPWSZLVAZXACNG-RBUKOAKNSA-N 1 1 404.555 0.522 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN(C[C@H](C)O)CC3)CC2)cc1 ZINC000494468206 1077545048 /nfs/dbraw/zinc/54/50/48/1077545048.db2.gz SCUJSDOQTRBSCL-IBGZPJMESA-N 1 1 404.555 0.728 20 0 HCADMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000494469791 1077544871 /nfs/dbraw/zinc/54/48/71/1077544871.db2.gz UTAKRAGEMXVGEE-DOTOQJQBSA-N 1 1 401.511 0.810 20 0 HCADMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000494469792 1077544775 /nfs/dbraw/zinc/54/47/75/1077544775.db2.gz UTAKRAGEMXVGEE-RDJZCZTQSA-N 1 1 401.511 0.810 20 0 HCADMO Cc1cc(N2CCC(NC(=O)N3CCN(C(C)(C)C(N)=O)CC3)CC2)nc(C)[nH+]1 ZINC000494472236 1077546400 /nfs/dbraw/zinc/54/64/00/1077546400.db2.gz NERZATCWSCZDSA-UHFFFAOYSA-N 1 1 403.531 0.653 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000494472353 1077546484 /nfs/dbraw/zinc/54/64/84/1077546484.db2.gz YAHLPNHJXBOPQX-KBPBESRZSA-N 1 1 407.467 0.585 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000494472354 1077546581 /nfs/dbraw/zinc/54/65/81/1077546581.db2.gz YAHLPNHJXBOPQX-UONOGXRCSA-N 1 1 407.467 0.585 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000494474266 1077546437 /nfs/dbraw/zinc/54/64/37/1077546437.db2.gz KIVOQISYZOOZCY-ZDUSSCGKSA-N 1 1 418.947 0.527 20 0 HCADMO C[C@H](O)CN1CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000494475832 1077546409 /nfs/dbraw/zinc/54/64/09/1077546409.db2.gz NAPZMALLHLXJKT-KRWDZBQOSA-N 1 1 424.567 0.798 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476163 1077547116 /nfs/dbraw/zinc/54/71/16/1077547116.db2.gz UWZNNHJDUSYQQG-AEFFLSMTSA-N 1 1 407.536 0.673 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476165 1077546938 /nfs/dbraw/zinc/54/69/38/1077546938.db2.gz UWZNNHJDUSYQQG-FUHWJXTLSA-N 1 1 407.536 0.673 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476168 1077546965 /nfs/dbraw/zinc/54/69/65/1077546965.db2.gz UWZNNHJDUSYQQG-SJLPKXTDSA-N 1 1 407.536 0.673 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494476170 1077547158 /nfs/dbraw/zinc/54/71/58/1077547158.db2.gz UWZNNHJDUSYQQG-WMZOPIPTSA-N 1 1 407.536 0.673 20 0 HCADMO COc1cc(CCNC(=O)CN2CC[NH+](C[C@H](C)O)CC2)ccc1OC(F)F ZINC000494477140 1077547627 /nfs/dbraw/zinc/54/76/27/1077547627.db2.gz ROJMYCFDIUJCCX-AWEZNQCLSA-N 1 1 401.454 0.954 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000494477953 1077547683 /nfs/dbraw/zinc/54/76/83/1077547683.db2.gz UFXQJRCNTVFJMF-ZDUSSCGKSA-N 1 1 413.316 0.502 20 0 HCADMO Cc1ccccc1C(=O)NC1CCN(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000494478165 1077547565 /nfs/dbraw/zinc/54/75/65/1077547565.db2.gz UZXUKQVZTNIREI-SFHVURJKSA-N 1 1 402.539 0.714 20 0 HCADMO C[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000494482803 1077548239 /nfs/dbraw/zinc/54/82/39/1077548239.db2.gz LYSQOXJHHPTBDA-KRWDZBQOSA-N 1 1 424.567 0.798 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 ZINC000494483249 1077548017 /nfs/dbraw/zinc/54/80/17/1077548017.db2.gz HXKMIUBYGJFNMC-INIZCTEOSA-N 1 1 406.552 0.813 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 ZINC000494483626 1077548072 /nfs/dbraw/zinc/54/80/72/1077548072.db2.gz IQBLVAARSUXLFX-IBGZPJMESA-N 1 1 416.566 0.725 20 0 HCADMO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000494487597 1077548596 /nfs/dbraw/zinc/54/85/96/1077548596.db2.gz PUMBGOFZAIFILE-KRWDZBQOSA-N 1 1 401.485 0.303 20 0 HCADMO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000494487598 1077548581 /nfs/dbraw/zinc/54/85/81/1077548581.db2.gz PUMBGOFZAIFILE-QGZVFWFLSA-N 1 1 401.485 0.303 20 0 HCADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000494488538 1077548571 /nfs/dbraw/zinc/54/85/71/1077548571.db2.gz TWOYRCWQAWITNI-INIZCTEOSA-N 1 1 424.567 0.215 20 0 HCADMO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494489829 1077549053 /nfs/dbraw/zinc/54/90/53/1077549053.db2.gz WTMANJIETCRFJM-INIZCTEOSA-N 1 1 415.494 0.986 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc(C(=O)N(C)CCO)cc2)C1 ZINC000494498378 1077549974 /nfs/dbraw/zinc/54/99/74/1077549974.db2.gz ZVOOYBUQELEJOS-IBGZPJMESA-N 1 1 407.511 0.603 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2ccc(C(=O)N(C)CCO)cc2)C1 ZINC000494498379 1077550143 /nfs/dbraw/zinc/55/01/43/1077550143.db2.gz 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HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000494635118 1077576673 /nfs/dbraw/zinc/57/66/73/1077576673.db2.gz FCIBXVFTTYETPS-KRWDZBQOSA-N 1 1 400.479 0.379 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000494635119 1077577191 /nfs/dbraw/zinc/57/71/91/1077577191.db2.gz FCIBXVFTTYETPS-QGZVFWFLSA-N 1 1 400.479 0.379 20 0 HCADMO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000494635191 1077577113 /nfs/dbraw/zinc/57/71/13/1077577113.db2.gz FORJAMUVXSKXGD-KRWDZBQOSA-N 1 1 404.511 0.926 20 0 HCADMO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000494635198 1077577013 /nfs/dbraw/zinc/57/70/13/1077577013.db2.gz FORJAMUVXSKXGD-QGZVFWFLSA-N 1 1 404.511 0.926 20 0 HCADMO CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000494639966 1077577675 /nfs/dbraw/zinc/57/76/75/1077577675.db2.gz XXBXLGNZKYLIMO-GOSISDBHSA-N 1 1 404.511 0.465 20 0 HCADMO CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000494639967 1077577613 /nfs/dbraw/zinc/57/76/13/1077577613.db2.gz XXBXLGNZKYLIMO-SFHVURJKSA-N 1 1 404.511 0.465 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000494657836 1077579505 /nfs/dbraw/zinc/57/95/05/1077579505.db2.gz VKTMLURYDICKLS-KRWDZBQOSA-N 1 1 409.508 0.193 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000494657837 1077579354 /nfs/dbraw/zinc/57/93/54/1077579354.db2.gz VKTMLURYDICKLS-QGZVFWFLSA-N 1 1 409.508 0.193 20 0 HCADMO CC(C)CN(C(=O)C[N@H+]1C[C@H](O)C2(CC2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494661689 1077579948 /nfs/dbraw/zinc/57/99/48/1077579948.db2.gz PHESYFPSKNWBRU-AWEZNQCLSA-N 1 1 407.515 0.633 20 0 HCADMO CC(C)CN(C(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494661689 1077579940 /nfs/dbraw/zinc/57/99/40/1077579940.db2.gz PHESYFPSKNWBRU-AWEZNQCLSA-N 1 1 407.515 0.633 20 0 HCADMO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494661690 1077579898 /nfs/dbraw/zinc/57/98/98/1077579898.db2.gz PHESYFPSKNWBRU-CQSZACIVSA-N 1 1 407.515 0.633 20 0 HCADMO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000494661690 1077579880 /nfs/dbraw/zinc/57/98/80/1077579880.db2.gz PHESYFPSKNWBRU-CQSZACIVSA-N 1 1 407.515 0.633 20 0 HCADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663039 1077580015 /nfs/dbraw/zinc/58/00/15/1077580015.db2.gz DEAPCJBHFDJLNP-GOSISDBHSA-N 1 1 417.558 0.493 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000494663040 1077579984 /nfs/dbraw/zinc/57/99/84/1077579984.db2.gz DEAPCJBHFDJLNP-SFHVURJKSA-N 1 1 417.558 0.493 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494663489 1077580975 /nfs/dbraw/zinc/58/09/75/1077580975.db2.gz FPQFUCLVSPLVDG-PBHICJAKSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494663489 1077580965 /nfs/dbraw/zinc/58/09/65/1077580965.db2.gz FPQFUCLVSPLVDG-PBHICJAKSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494663491 1077580747 /nfs/dbraw/zinc/58/07/47/1077580747.db2.gz FPQFUCLVSPLVDG-RHSMWYFYSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494663491 1077580739 /nfs/dbraw/zinc/58/07/39/1077580739.db2.gz FPQFUCLVSPLVDG-RHSMWYFYSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494663492 1077580660 /nfs/dbraw/zinc/58/06/60/1077580660.db2.gz FPQFUCLVSPLVDG-WMLDXEAASA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494663492 1077580654 /nfs/dbraw/zinc/58/06/54/1077580654.db2.gz FPQFUCLVSPLVDG-WMLDXEAASA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494663493 1077580884 /nfs/dbraw/zinc/58/08/84/1077580884.db2.gz FPQFUCLVSPLVDG-YOEHRIQHSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494663493 1077580878 /nfs/dbraw/zinc/58/08/78/1077580878.db2.gz FPQFUCLVSPLVDG-YOEHRIQHSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000494664355 1077580688 /nfs/dbraw/zinc/58/06/88/1077580688.db2.gz BGZNLBQCHUYIIR-PBHICJAKSA-N 1 1 409.508 0.712 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000494664356 1077580724 /nfs/dbraw/zinc/58/07/24/1077580724.db2.gz BGZNLBQCHUYIIR-RHSMWYFYSA-N 1 1 409.508 0.712 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000494664358 1077580703 /nfs/dbraw/zinc/58/07/03/1077580703.db2.gz BGZNLBQCHUYIIR-WMLDXEAASA-N 1 1 409.508 0.712 20 0 HCADMO 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C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494668644 1077581662 /nfs/dbraw/zinc/58/16/62/1077581662.db2.gz SCVIKBKQJDYRTF-PBHICJAKSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494668646 1077581896 /nfs/dbraw/zinc/58/18/96/1077581896.db2.gz SCVIKBKQJDYRTF-RHSMWYFYSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494668646 1077581876 /nfs/dbraw/zinc/58/18/76/1077581876.db2.gz SCVIKBKQJDYRTF-RHSMWYFYSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494668647 1077581713 /nfs/dbraw/zinc/58/17/13/1077581713.db2.gz SCVIKBKQJDYRTF-WMLDXEAASA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494668647 1077581707 /nfs/dbraw/zinc/58/17/07/1077581707.db2.gz SCVIKBKQJDYRTF-WMLDXEAASA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494668648 1077581816 /nfs/dbraw/zinc/58/18/16/1077581816.db2.gz SCVIKBKQJDYRTF-YOEHRIQHSA-N 1 1 409.508 0.491 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494668648 1077581806 /nfs/dbraw/zinc/58/18/06/1077581806.db2.gz SCVIKBKQJDYRTF-YOEHRIQHSA-N 1 1 409.508 0.491 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)CC1 ZINC000494668891 1077581307 /nfs/dbraw/zinc/58/13/07/1077581307.db2.gz ABQBBYPBBFFYGB-GOSISDBHSA-N 1 1 422.574 0.764 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)CC1 ZINC000494668895 1077581368 /nfs/dbraw/zinc/58/13/68/1077581368.db2.gz ABQBBYPBBFFYGB-SFHVURJKSA-N 1 1 422.574 0.764 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494670187 1077582620 /nfs/dbraw/zinc/58/26/20/1077582620.db2.gz RSTNPTJDXUQYMZ-IBGZPJMESA-N 1 1 400.523 0.788 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000494670193 1077582573 /nfs/dbraw/zinc/58/25/73/1077582573.db2.gz RSTNPTJDXUQYMZ-LJQANCHMSA-N 1 1 400.523 0.788 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000494670513 1077582534 /nfs/dbraw/zinc/58/25/34/1077582534.db2.gz SLFDLYGNBVPRHJ-CYBMUJFWSA-N 1 1 400.487 0.746 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000494670514 1077582515 /nfs/dbraw/zinc/58/25/15/1077582515.db2.gz SLFDLYGNBVPRHJ-ZDUSSCGKSA-N 1 1 400.487 0.746 20 0 HCADMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494670790 1077582293 /nfs/dbraw/zinc/58/22/93/1077582293.db2.gz UAEFJGYEEWSTBU-GOSISDBHSA-N 1 1 423.535 0.375 20 0 HCADMO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494670792 1077582343 /nfs/dbraw/zinc/58/23/43/1077582343.db2.gz UAEFJGYEEWSTBU-SFHVURJKSA-N 1 1 423.535 0.375 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCc2ncccc2S(C)(=O)=O)CC1 ZINC000494670982 1077582166 /nfs/dbraw/zinc/58/21/66/1077582166.db2.gz BFFKHMHLSDHIFV-UHFFFAOYSA-N 1 1 411.528 0.275 20 0 HCADMO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000494671708 1077583130 /nfs/dbraw/zinc/58/31/30/1077583130.db2.gz DYCOFGJYXOOCFB-CVEARBPZSA-N 1 1 420.510 0.774 20 0 HCADMO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000494671709 1077582899 /nfs/dbraw/zinc/58/28/99/1077582899.db2.gz DYCOFGJYXOOCFB-HOTGVXAUSA-N 1 1 420.510 0.774 20 0 HCADMO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000494671710 1077582911 /nfs/dbraw/zinc/58/29/11/1077582911.db2.gz DYCOFGJYXOOCFB-HZPDHXFCSA-N 1 1 420.510 0.774 20 0 HCADMO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000494671711 1077583108 /nfs/dbraw/zinc/58/31/08/1077583108.db2.gz DYCOFGJYXOOCFB-JKSUJKDBSA-N 1 1 420.510 0.774 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ncnn2CC(F)F)CC1 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/nfs/dbraw/zinc/58/36/20/1077583620.db2.gz MKMJZKPVRGUYBR-INIZCTEOSA-N 1 1 406.531 0.666 20 0 HCADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000494672517 1077583465 /nfs/dbraw/zinc/58/34/65/1077583465.db2.gz MKMJZKPVRGUYBR-MRXNPFEDSA-N 1 1 406.531 0.666 20 0 HCADMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494672868 1077582929 /nfs/dbraw/zinc/58/29/29/1077582929.db2.gz INYTUBAKXQZEJS-HNNXBMFYSA-N 1 1 415.462 0.254 20 0 HCADMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000494672869 1077583076 /nfs/dbraw/zinc/58/30/76/1077583076.db2.gz INYTUBAKXQZEJS-OAHLLOKOSA-N 1 1 415.462 0.254 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000494673231 1077583957 /nfs/dbraw/zinc/58/39/57/1077583957.db2.gz PLOFIEJUGAYZDS-GOSISDBHSA-N 1 1 400.523 0.843 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494673233 1077583918 /nfs/dbraw/zinc/58/39/18/1077583918.db2.gz 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413.478 0.389 20 0 HCADMO CCN(C(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000494674390 1077584399 /nfs/dbraw/zinc/58/43/99/1077584399.db2.gz VMCXRMPJGNPXOA-OAHLLOKOSA-N 1 1 413.478 0.389 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1C ZINC000494681817 1077585403 /nfs/dbraw/zinc/58/54/03/1077585403.db2.gz MTEVVGXQIGBNDA-GOSISDBHSA-N 1 1 407.536 0.593 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1C ZINC000494681818 1077585198 /nfs/dbraw/zinc/58/51/98/1077585198.db2.gz MTEVVGXQIGBNDA-SFHVURJKSA-N 1 1 407.536 0.593 20 0 HCADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000494682135 1077585815 /nfs/dbraw/zinc/58/58/15/1077585815.db2.gz XBOJDRIKQDNOGY-CVEARBPZSA-N 1 1 418.542 0.380 20 0 HCADMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000494682139 1077585639 /nfs/dbraw/zinc/58/56/39/1077585639.db2.gz XBOJDRIKQDNOGY-HOTGVXAUSA-N 1 1 418.542 0.380 20 0 HCADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@H](C)C1 ZINC000494682140 1077585687 /nfs/dbraw/zinc/58/56/87/1077585687.db2.gz XBOJDRIKQDNOGY-HZPDHXFCSA-N 1 1 418.542 0.380 20 0 HCADMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000494682142 1077585790 /nfs/dbraw/zinc/58/57/90/1077585790.db2.gz XBOJDRIKQDNOGY-JKSUJKDBSA-N 1 1 418.542 0.380 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000494684670 1077588223 /nfs/dbraw/zinc/58/82/23/1077588223.db2.gz JQDSTNVPFQLAFH-GOSISDBHSA-N 1 1 422.551 0.421 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000494684670 1077588217 /nfs/dbraw/zinc/58/82/17/1077588217.db2.gz JQDSTNVPFQLAFH-GOSISDBHSA-N 1 1 422.551 0.421 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000494684671 1077588001 /nfs/dbraw/zinc/58/80/01/1077588001.db2.gz JQDSTNVPFQLAFH-SFHVURJKSA-N 1 1 422.551 0.421 20 0 HCADMO 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O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000494688501 1077589453 /nfs/dbraw/zinc/58/94/53/1077589453.db2.gz XSWHATDXZZCERC-LJQANCHMSA-N 1 1 419.547 0.465 20 0 HCADMO Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)NCCC(=O)N3CC[NH+](C)CC3)n2)c1 ZINC000494689972 1077589415 /nfs/dbraw/zinc/58/94/15/1077589415.db2.gz YPWRILYLQSNXRK-AWEZNQCLSA-N 1 1 400.487 0.699 20 0 HCADMO Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)NCCC(=O)N3CC[NH+](C)CC3)n2)c1 ZINC000494689976 1077589212 /nfs/dbraw/zinc/58/92/12/1077589212.db2.gz YPWRILYLQSNXRK-CQSZACIVSA-N 1 1 400.487 0.699 20 0 HCADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)c1 ZINC000494691108 1077589821 /nfs/dbraw/zinc/58/98/21/1077589821.db2.gz RKXVTEGLFBHHLM-GOSISDBHSA-N 1 1 421.519 0.179 20 0 HCADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)c1 ZINC000494691109 1077590019 /nfs/dbraw/zinc/59/00/19/1077590019.db2.gz RKXVTEGLFBHHLM-SFHVURJKSA-N 1 1 421.519 0.179 20 0 HCADMO 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XTLVRLFFBJFDKT-UHFFFAOYSA-N 1 1 406.483 0.772 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709296 1077593346 /nfs/dbraw/zinc/59/33/46/1077593346.db2.gz NPTMKVVNGSQSFA-CVEARBPZSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709296 1077593341 /nfs/dbraw/zinc/59/33/41/1077593341.db2.gz NPTMKVVNGSQSFA-CVEARBPZSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709297 1077593581 /nfs/dbraw/zinc/59/35/81/1077593581.db2.gz NPTMKVVNGSQSFA-HOTGVXAUSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709297 1077593570 /nfs/dbraw/zinc/59/35/70/1077593570.db2.gz NPTMKVVNGSQSFA-HOTGVXAUSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709298 1077593423 /nfs/dbraw/zinc/59/34/23/1077593423.db2.gz NPTMKVVNGSQSFA-HZPDHXFCSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709298 1077593415 /nfs/dbraw/zinc/59/34/15/1077593415.db2.gz NPTMKVVNGSQSFA-HZPDHXFCSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709299 1077593918 /nfs/dbraw/zinc/59/39/18/1077593918.db2.gz NPTMKVVNGSQSFA-JKSUJKDBSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000494709299 1077593907 /nfs/dbraw/zinc/59/39/07/1077593907.db2.gz NPTMKVVNGSQSFA-JKSUJKDBSA-N 1 1 410.540 0.443 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000494714135 1077596674 /nfs/dbraw/zinc/59/66/74/1077596674.db2.gz ZDNSZVNSUVETDK-HNNXBMFYSA-N 1 1 410.540 0.989 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000494714137 1077597564 /nfs/dbraw/zinc/59/75/64/1077597564.db2.gz ZDNSZVNSUVETDK-OAHLLOKOSA-N 1 1 410.540 0.989 20 0 HCADMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000494714954 1077596853 /nfs/dbraw/zinc/59/68/53/1077596853.db2.gz ZVGXBKPQONRTEV-INIZCTEOSA-N 1 1 413.927 0.630 20 0 HCADMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000494714955 1077596634 /nfs/dbraw/zinc/59/66/34/1077596634.db2.gz ZVGXBKPQONRTEV-MRXNPFEDSA-N 1 1 413.927 0.630 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000494714972 1077596895 /nfs/dbraw/zinc/59/68/95/1077596895.db2.gz ZXHBEGDBWYVSHS-GOSISDBHSA-N 1 1 421.519 0.179 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000494714973 1077596535 /nfs/dbraw/zinc/59/65/35/1077596535.db2.gz ZXHBEGDBWYVSHS-SFHVURJKSA-N 1 1 421.519 0.179 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000494720870 1077595344 /nfs/dbraw/zinc/59/53/44/1077595344.db2.gz ZGURWDMJTJBCAB-IBGZPJMESA-N 1 1 408.568 0.653 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000494720871 1077595598 /nfs/dbraw/zinc/59/55/98/1077595598.db2.gz ZGURWDMJTJBCAB-LJQANCHMSA-N 1 1 408.568 0.653 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000494729984 1077599596 /nfs/dbraw/zinc/59/95/96/1077599596.db2.gz PLECAEPGGJRAFB-INIZCTEOSA-N 1 1 402.561 0.105 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000494729984 1077599578 /nfs/dbraw/zinc/59/95/78/1077599578.db2.gz PLECAEPGGJRAFB-INIZCTEOSA-N 1 1 402.561 0.105 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000494729985 1077599254 /nfs/dbraw/zinc/59/92/54/1077599254.db2.gz PLECAEPGGJRAFB-MRXNPFEDSA-N 1 1 402.561 0.105 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000494729985 1077599239 /nfs/dbraw/zinc/59/92/39/1077599239.db2.gz PLECAEPGGJRAFB-MRXNPFEDSA-N 1 1 402.561 0.105 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731734 1077599273 /nfs/dbraw/zinc/59/92/73/1077599273.db2.gz VTOZTBWJKYPCAF-NEWSRXKRSA-N 1 1 408.568 0.779 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731735 1077599644 /nfs/dbraw/zinc/59/96/44/1077599644.db2.gz VTOZTBWJKYPCAF-QRQLOZEOSA-N 1 1 408.568 0.779 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731736 1077599455 /nfs/dbraw/zinc/59/94/55/1077599455.db2.gz VTOZTBWJKYPCAF-UHOSZYNNSA-N 1 1 408.568 0.779 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000494731737 1077599123 /nfs/dbraw/zinc/59/91/23/1077599123.db2.gz VTOZTBWJKYPCAF-WDSOQIARSA-N 1 1 408.568 0.779 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000494733648 1077600354 /nfs/dbraw/zinc/60/03/54/1077600354.db2.gz CBWNTWMLSZMEHF-AWEZNQCLSA-N 1 1 405.542 0.329 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000494733649 1077600111 /nfs/dbraw/zinc/60/01/11/1077600111.db2.gz CBWNTWMLSZMEHF-CQSZACIVSA-N 1 1 405.542 0.329 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733707 1077600324 /nfs/dbraw/zinc/60/03/24/1077600324.db2.gz GJLPYPVTNMBCMJ-GDBMZVCRSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733707 1077600314 /nfs/dbraw/zinc/60/03/14/1077600314.db2.gz GJLPYPVTNMBCMJ-GDBMZVCRSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733708 1077600841 /nfs/dbraw/zinc/60/08/41/1077600841.db2.gz GJLPYPVTNMBCMJ-GOEBONIOSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733708 1077600831 /nfs/dbraw/zinc/60/08/31/1077600831.db2.gz GJLPYPVTNMBCMJ-GOEBONIOSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733709 1077601247 /nfs/dbraw/zinc/60/12/47/1077601247.db2.gz GJLPYPVTNMBCMJ-HOCLYGCPSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733709 1077601235 /nfs/dbraw/zinc/60/12/35/1077601235.db2.gz GJLPYPVTNMBCMJ-HOCLYGCPSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733710 1077601139 /nfs/dbraw/zinc/60/11/39/1077601139.db2.gz GJLPYPVTNMBCMJ-ZBFHGGJFSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000494733710 1077601127 /nfs/dbraw/zinc/60/11/27/1077601127.db2.gz GJLPYPVTNMBCMJ-ZBFHGGJFSA-N 1 1 413.540 0.765 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735279 1077598485 /nfs/dbraw/zinc/59/84/85/1077598485.db2.gz KCPDCMWICSIXLX-GFCCVEGCSA-N 1 1 402.904 0.781 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000494735280 1077598393 /nfs/dbraw/zinc/59/83/93/1077598393.db2.gz KCPDCMWICSIXLX-LBPRGKRZSA-N 1 1 402.904 0.781 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000494748398 1077608312 /nfs/dbraw/zinc/60/83/12/1077608312.db2.gz YLTRFYKTBATMEK-GOSISDBHSA-N 1 1 422.551 0.877 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000494748398 1077608307 /nfs/dbraw/zinc/60/83/07/1077608307.db2.gz YLTRFYKTBATMEK-GOSISDBHSA-N 1 1 422.551 0.877 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000494748400 1077608290 /nfs/dbraw/zinc/60/82/90/1077608290.db2.gz YLTRFYKTBATMEK-SFHVURJKSA-N 1 1 422.551 0.877 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000494748400 1077608280 /nfs/dbraw/zinc/60/82/80/1077608280.db2.gz YLTRFYKTBATMEK-SFHVURJKSA-N 1 1 422.551 0.877 20 0 HCADMO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000494749930 1077607083 /nfs/dbraw/zinc/60/70/83/1077607083.db2.gz WLEJLGMQGVCUOC-FQEVSTJZSA-N 1 1 408.587 0.792 20 0 HCADMO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)NCC1(N2CCOCC2)CCCCC1 ZINC000494749931 1077606747 /nfs/dbraw/zinc/60/67/47/1077606747.db2.gz WLEJLGMQGVCUOC-HXUWFJFHSA-N 1 1 408.587 0.792 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751339 1077609742 /nfs/dbraw/zinc/60/97/42/1077609742.db2.gz DVBIPXGLXKZWBO-CVEARBPZSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751339 1077609731 /nfs/dbraw/zinc/60/97/31/1077609731.db2.gz DVBIPXGLXKZWBO-CVEARBPZSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751352 1077609616 /nfs/dbraw/zinc/60/96/16/1077609616.db2.gz DVBIPXGLXKZWBO-HOTGVXAUSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751352 1077609605 /nfs/dbraw/zinc/60/96/05/1077609605.db2.gz DVBIPXGLXKZWBO-HOTGVXAUSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751353 1077609911 /nfs/dbraw/zinc/60/99/11/1077609911.db2.gz DVBIPXGLXKZWBO-HZPDHXFCSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751353 1077609899 /nfs/dbraw/zinc/60/98/99/1077609899.db2.gz DVBIPXGLXKZWBO-HZPDHXFCSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751354 1077609859 /nfs/dbraw/zinc/60/98/59/1077609859.db2.gz DVBIPXGLXKZWBO-JKSUJKDBSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000494751354 1077609845 /nfs/dbraw/zinc/60/98/45/1077609845.db2.gz DVBIPXGLXKZWBO-JKSUJKDBSA-N 1 1 400.497 0.651 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752267 1077610504 /nfs/dbraw/zinc/61/05/04/1077610504.db2.gz JYHRPDQAKCHORS-CRAIPNDOSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752267 1077610497 /nfs/dbraw/zinc/61/04/97/1077610497.db2.gz JYHRPDQAKCHORS-CRAIPNDOSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752268 1077610357 /nfs/dbraw/zinc/61/03/57/1077610357.db2.gz JYHRPDQAKCHORS-MAUKXSAKSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752268 1077610344 /nfs/dbraw/zinc/61/03/44/1077610344.db2.gz JYHRPDQAKCHORS-MAUKXSAKSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752269 1077610615 /nfs/dbraw/zinc/61/06/15/1077610615.db2.gz JYHRPDQAKCHORS-QAPCUYQASA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752269 1077610607 /nfs/dbraw/zinc/61/06/07/1077610607.db2.gz JYHRPDQAKCHORS-QAPCUYQASA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752270 1077611287 /nfs/dbraw/zinc/61/12/87/1077611287.db2.gz JYHRPDQAKCHORS-YJBOKZPZSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752270 1077611275 /nfs/dbraw/zinc/61/12/75/1077611275.db2.gz JYHRPDQAKCHORS-YJBOKZPZSA-N 1 1 412.531 0.876 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752716 1077610644 /nfs/dbraw/zinc/61/06/44/1077610644.db2.gz LMGKTKHSWQUHDD-GOSISDBHSA-N 1 1 412.531 0.878 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000494752717 1077610299 /nfs/dbraw/zinc/61/02/99/1077610299.db2.gz LMGKTKHSWQUHDD-SFHVURJKSA-N 1 1 412.531 0.878 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752771 1077610552 /nfs/dbraw/zinc/61/05/52/1077610552.db2.gz MAGCHMKGZIOAMM-GDBMZVCRSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752771 1077610549 /nfs/dbraw/zinc/61/05/49/1077610549.db2.gz MAGCHMKGZIOAMM-GDBMZVCRSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752772 1077610684 /nfs/dbraw/zinc/61/06/84/1077610684.db2.gz MAGCHMKGZIOAMM-GOEBONIOSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752772 1077610669 /nfs/dbraw/zinc/61/06/69/1077610669.db2.gz MAGCHMKGZIOAMM-GOEBONIOSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752773 1077610230 /nfs/dbraw/zinc/61/02/30/1077610230.db2.gz MAGCHMKGZIOAMM-HOCLYGCPSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752773 1077610217 /nfs/dbraw/zinc/61/02/17/1077610217.db2.gz MAGCHMKGZIOAMM-HOCLYGCPSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752774 1077610427 /nfs/dbraw/zinc/61/04/27/1077610427.db2.gz MAGCHMKGZIOAMM-ZBFHGGJFSA-N 1 1 411.524 0.519 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000494752774 1077610403 /nfs/dbraw/zinc/61/04/03/1077610403.db2.gz MAGCHMKGZIOAMM-ZBFHGGJFSA-N 1 1 411.524 0.519 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000494755400 1077611042 /nfs/dbraw/zinc/61/10/42/1077611042.db2.gz HQGYDDLJPZPYSK-UHFFFAOYSA-N 1 1 411.528 0.782 20 0 HCADMO CC(C)CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1=O ZINC000494775497 1077622151 /nfs/dbraw/zinc/62/21/51/1077622151.db2.gz RHLUTDIJGBFEPC-MSOLQXFVSA-N 1 1 408.543 0.415 20 0 HCADMO CC(C)CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1=O ZINC000494775498 1077621869 /nfs/dbraw/zinc/62/18/69/1077621869.db2.gz RHLUTDIJGBFEPC-QZTJIDSGSA-N 1 1 408.543 0.415 20 0 HCADMO CC(C)CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1=O ZINC000494775499 1077622030 /nfs/dbraw/zinc/62/20/30/1077622030.db2.gz RHLUTDIJGBFEPC-ROUUACIJSA-N 1 1 408.543 0.415 20 0 HCADMO CC(C)CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1=O ZINC000494775500 1077621985 /nfs/dbraw/zinc/62/19/85/1077621985.db2.gz RHLUTDIJGBFEPC-ZWKOTPCHSA-N 1 1 408.543 0.415 20 0 HCADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000494790828 1077629002 /nfs/dbraw/zinc/62/90/02/1077629002.db2.gz BPIGEFQPYKXBJS-INIZCTEOSA-N 1 1 411.528 0.924 20 0 HCADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000494790834 1077629387 /nfs/dbraw/zinc/62/93/87/1077629387.db2.gz BPIGEFQPYKXBJS-MRXNPFEDSA-N 1 1 411.528 0.924 20 0 HCADMO COC(=O)Cn1cc(S(=O)(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000494791069 1077628973 /nfs/dbraw/zinc/62/89/73/1077628973.db2.gz NPRKUKXRDHYIME-UHFFFAOYSA-N 1 1 408.484 0.410 20 0 HCADMO COCCN(CCOC)S(=O)(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000494792241 1077631207 /nfs/dbraw/zinc/63/12/07/1077631207.db2.gz QRLPNOCFSUXRJK-UHFFFAOYSA-N 1 1 401.533 0.491 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1C ZINC000494793245 1077633051 /nfs/dbraw/zinc/63/30/51/1077633051.db2.gz UDJYSSUMFHJOBU-UHFFFAOYSA-N 1 1 406.512 0.739 20 0 HCADMO CSCC[C@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1nnc2ccccn21 ZINC000494803915 1077641797 /nfs/dbraw/zinc/64/17/97/1077641797.db2.gz JROFIMAZBIUTEH-AWEZNQCLSA-N 1 1 409.541 0.825 20 0 HCADMO CSCC[C@@H]([NH2+]CCNS(=O)(=O)c1cnn(C)c1)c1nnc2ccccn21 ZINC000494803916 1077641600 /nfs/dbraw/zinc/64/16/00/1077641600.db2.gz JROFIMAZBIUTEH-CQSZACIVSA-N 1 1 409.541 0.825 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000494804047 1077641555 /nfs/dbraw/zinc/64/15/55/1077641555.db2.gz AQSHUIMKQCVNLV-KRWDZBQOSA-N 1 1 409.512 0.712 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000494804048 1077641465 /nfs/dbraw/zinc/64/14/65/1077641465.db2.gz AQSHUIMKQCVNLV-QGZVFWFLSA-N 1 1 409.512 0.712 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN[C@@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805479 1077641304 /nfs/dbraw/zinc/64/13/04/1077641304.db2.gz TZELVWRTCKTEON-FQEVSTJZSA-N 1 1 401.511 0.786 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN[C@H](CO)c3cnn(C)c3)CC2)cc1 ZINC000494805480 1077641067 /nfs/dbraw/zinc/64/10/67/1077641067.db2.gz TZELVWRTCKTEON-HXUWFJFHSA-N 1 1 401.511 0.786 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000494807003 1077640689 /nfs/dbraw/zinc/64/06/89/1077640689.db2.gz DEPSLJVMNPJHRY-DLBZAZTESA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000494807003 1077640676 /nfs/dbraw/zinc/64/06/76/1077640676.db2.gz DEPSLJVMNPJHRY-DLBZAZTESA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000494807004 1077640757 /nfs/dbraw/zinc/64/07/57/1077640757.db2.gz DEPSLJVMNPJHRY-IAGOWNOFSA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000494807004 1077640749 /nfs/dbraw/zinc/64/07/49/1077640749.db2.gz DEPSLJVMNPJHRY-IAGOWNOFSA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000494807005 1077640926 /nfs/dbraw/zinc/64/09/26/1077640926.db2.gz DEPSLJVMNPJHRY-IRXDYDNUSA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000494807005 1077640911 /nfs/dbraw/zinc/64/09/11/1077640911.db2.gz DEPSLJVMNPJHRY-IRXDYDNUSA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000494807007 1077640879 /nfs/dbraw/zinc/64/08/79/1077640879.db2.gz DEPSLJVMNPJHRY-SJORKVTESA-N 1 1 423.539 0.682 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000494807007 1077640865 /nfs/dbraw/zinc/64/08/65/1077640865.db2.gz DEPSLJVMNPJHRY-SJORKVTESA-N 1 1 423.539 0.682 20 0 HCADMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000494807044 1077641232 /nfs/dbraw/zinc/64/12/32/1077641232.db2.gz FOLZGZUPDIOSMB-JXFKEZNVSA-N 1 1 401.511 0.580 20 0 HCADMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000494807047 1077641203 /nfs/dbraw/zinc/64/12/03/1077641203.db2.gz FOLZGZUPDIOSMB-OXJNMPFZSA-N 1 1 401.511 0.580 20 0 HCADMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000494807048 1077641514 /nfs/dbraw/zinc/64/15/14/1077641514.db2.gz FOLZGZUPDIOSMB-OXQOHEQNSA-N 1 1 401.511 0.580 20 0 HCADMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000494807049 1077641754 /nfs/dbraw/zinc/64/17/54/1077641754.db2.gz FOLZGZUPDIOSMB-UZLBHIALSA-N 1 1 401.511 0.580 20 0 HCADMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 ZINC000494807089 1077640732 /nfs/dbraw/zinc/64/07/32/1077640732.db2.gz FSGKAHWZALLMRM-KRWDZBQOSA-N 1 1 407.496 0.466 20 0 HCADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 ZINC000494807097 1077640796 /nfs/dbraw/zinc/64/07/96/1077640796.db2.gz FSGKAHWZALLMRM-QGZVFWFLSA-N 1 1 407.496 0.466 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)ccc1Cl ZINC000494807259 1077642482 /nfs/dbraw/zinc/64/24/82/1077642482.db2.gz HMYSRRCICVXVEZ-AWEZNQCLSA-N 1 1 415.903 0.586 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)ccc1Cl ZINC000494807260 1077642302 /nfs/dbraw/zinc/64/23/02/1077642302.db2.gz HMYSRRCICVXVEZ-CQSZACIVSA-N 1 1 415.903 0.586 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000494809427 1077642993 /nfs/dbraw/zinc/64/29/93/1077642993.db2.gz LXPLZRQAWFLGGC-BDJLRTHQSA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000494809428 1077643010 /nfs/dbraw/zinc/64/30/10/1077643010.db2.gz LXPLZRQAWFLGGC-BZNIZROVSA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000494809429 1077642924 /nfs/dbraw/zinc/64/29/24/1077642924.db2.gz LXPLZRQAWFLGGC-MEDUHNTESA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1cc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc(C(=O)OC)c1 ZINC000494809430 1077642944 /nfs/dbraw/zinc/64/29/44/1077642944.db2.gz LXPLZRQAWFLGGC-ZBEGNZNMSA-N 1 1 404.423 0.644 20 0 HCADMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494809434 1077642958 /nfs/dbraw/zinc/64/29/58/1077642958.db2.gz LXVLYZRPGBUKDK-KRWDZBQOSA-N 1 1 421.523 0.273 20 0 HCADMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494809436 1077643570 /nfs/dbraw/zinc/64/35/70/1077643570.db2.gz LXVLYZRPGBUKDK-QGZVFWFLSA-N 1 1 421.523 0.273 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000494810845 1077643605 /nfs/dbraw/zinc/64/36/05/1077643605.db2.gz PLPSNTAPUOVVAA-CXAGYDPISA-N 1 1 409.512 0.757 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000494810846 1077643555 /nfs/dbraw/zinc/64/35/55/1077643555.db2.gz PLPSNTAPUOVVAA-DYVFJYSZSA-N 1 1 409.512 0.757 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000494810847 1077643400 /nfs/dbraw/zinc/64/34/00/1077643400.db2.gz PLPSNTAPUOVVAA-GUYCJALGSA-N 1 1 409.512 0.757 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000494810848 1077643620 /nfs/dbraw/zinc/64/36/20/1077643620.db2.gz PLPSNTAPUOVVAA-SUMWQHHRSA-N 1 1 409.512 0.757 20 0 HCADMO Cc1cc(N2CCN(C(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)CC2)nc(C(C)C)n1 ZINC000494811715 1077644588 /nfs/dbraw/zinc/64/45/88/1077644588.db2.gz RLPVSBWDSLZONO-KRWDZBQOSA-N 1 1 401.515 0.614 20 0 HCADMO Cc1cc(N2CCN(C(=O)C[NH2+][C@H](CO)c3cnn(C)c3)CC2)nc(C(C)C)n1 ZINC000494811719 1077644714 /nfs/dbraw/zinc/64/47/14/1077644714.db2.gz RLPVSBWDSLZONO-QGZVFWFLSA-N 1 1 401.515 0.614 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000494812329 1077644204 /nfs/dbraw/zinc/64/42/04/1077644204.db2.gz MYYVCLHRBPBDFR-BDJLRTHQSA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000494812330 1077644698 /nfs/dbraw/zinc/64/46/98/1077644698.db2.gz MYYVCLHRBPBDFR-BZNIZROVSA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000494812331 1077643526 /nfs/dbraw/zinc/64/35/26/1077643526.db2.gz MYYVCLHRBPBDFR-MEDUHNTESA-N 1 1 404.423 0.644 20 0 HCADMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000494812332 1077643986 /nfs/dbraw/zinc/64/39/86/1077643986.db2.gz MYYVCLHRBPBDFR-ZBEGNZNMSA-N 1 1 404.423 0.644 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)c1 ZINC000494813018 1077644147 /nfs/dbraw/zinc/64/41/47/1077644147.db2.gz VVXCXMYCNARIHW-KRWDZBQOSA-N 1 1 409.512 0.712 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)c1 ZINC000494813019 1077644048 /nfs/dbraw/zinc/64/40/48/1077644048.db2.gz VVXCXMYCNARIHW-QGZVFWFLSA-N 1 1 409.512 0.712 20 0 HCADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 ZINC000494814414 1077645281 /nfs/dbraw/zinc/64/52/81/1077645281.db2.gz UXCSOWCGOCANIU-GOSISDBHSA-N 1 1 421.523 0.856 20 0 HCADMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 ZINC000494814415 1077645128 /nfs/dbraw/zinc/64/51/28/1077645128.db2.gz UXCSOWCGOCANIU-SFHVURJKSA-N 1 1 421.523 0.856 20 0 HCADMO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cn1 ZINC000494815752 1077646882 /nfs/dbraw/zinc/64/68/82/1077646882.db2.gz KUUCLILKCPMXEY-INIZCTEOSA-N 1 1 400.418 0.674 20 0 HCADMO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cn1 ZINC000494815753 1077646813 /nfs/dbraw/zinc/64/68/13/1077646813.db2.gz KUUCLILKCPMXEY-MRXNPFEDSA-N 1 1 400.418 0.674 20 0 HCADMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000494820080 1077647989 /nfs/dbraw/zinc/64/79/89/1077647989.db2.gz IETDFOQEYXIAQC-HNNXBMFYSA-N 1 1 419.544 0.248 20 0 HCADMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000494820080 1077647984 /nfs/dbraw/zinc/64/79/84/1077647984.db2.gz IETDFOQEYXIAQC-HNNXBMFYSA-N 1 1 419.544 0.248 20 0 HCADMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000494820081 1077647877 /nfs/dbraw/zinc/64/78/77/1077647877.db2.gz IETDFOQEYXIAQC-OAHLLOKOSA-N 1 1 419.544 0.248 20 0 HCADMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000494820081 1077647874 /nfs/dbraw/zinc/64/78/74/1077647874.db2.gz IETDFOQEYXIAQC-OAHLLOKOSA-N 1 1 419.544 0.248 20 0 HCADMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000494824281 1077650496 /nfs/dbraw/zinc/65/04/96/1077650496.db2.gz LCDUFFPMVNPJEC-UHFFFAOYSA-N 1 1 420.514 0.654 20 0 HCADMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000494824281 1077650492 /nfs/dbraw/zinc/65/04/92/1077650492.db2.gz LCDUFFPMVNPJEC-UHFFFAOYSA-N 1 1 420.514 0.654 20 0 HCADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000494824652 1077650441 /nfs/dbraw/zinc/65/04/41/1077650441.db2.gz MDDXADHSRGVBBQ-UHFFFAOYSA-N 1 1 424.473 0.321 20 0 HCADMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000494827939 1077650467 /nfs/dbraw/zinc/65/04/67/1077650467.db2.gz ZDKOPIBCQJTOKJ-NRXISQOPSA-N 1 1 419.544 0.294 20 0 HCADMO CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)C1 ZINC000494827939 1077650464 /nfs/dbraw/zinc/65/04/64/1077650464.db2.gz ZDKOPIBCQJTOKJ-NRXISQOPSA-N 1 1 419.544 0.294 20 0 HCADMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000494827940 1077650432 /nfs/dbraw/zinc/65/04/32/1077650432.db2.gz ZDKOPIBCQJTOKJ-YMAMQOFZSA-N 1 1 419.544 0.294 20 0 HCADMO CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000494827940 1077650430 /nfs/dbraw/zinc/65/04/30/1077650430.db2.gz ZDKOPIBCQJTOKJ-YMAMQOFZSA-N 1 1 419.544 0.294 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000494829308 1077651628 /nfs/dbraw/zinc/65/16/28/1077651628.db2.gz MKAWWNIAAWAGPF-UHFFFAOYSA-N 1 1 419.457 0.318 20 0 HCADMO COC(=O)Cn1cc(CNC(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nn1 ZINC000494837852 1077655332 /nfs/dbraw/zinc/65/53/32/1077655332.db2.gz RLENFIDDGYSHGO-UHFFFAOYSA-N 1 1 424.502 0.399 20 0 HCADMO COC(=O)Cn1cc(CNC(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)nn1 ZINC000494837852 1077655315 /nfs/dbraw/zinc/65/53/15/1077655315.db2.gz RLENFIDDGYSHGO-UHFFFAOYSA-N 1 1 424.502 0.399 20 0 HCADMO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC000494839623 1077656647 /nfs/dbraw/zinc/65/66/47/1077656647.db2.gz XZVFYVBEUCCGRI-SJORKVTESA-N 1 1 400.479 0.856 20 0 HCADMO CN(CCCN(C)C(=O)c1nccc2c1cccc2S(N)(=O)=O)CC[NH+](C)C ZINC000494841011 1077657250 /nfs/dbraw/zinc/65/72/50/1077657250.db2.gz XIARSCXYJNSSEQ-UHFFFAOYSA-N 1 1 407.540 0.838 20 0 HCADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000494841011 1077657242 /nfs/dbraw/zinc/65/72/42/1077657242.db2.gz XIARSCXYJNSSEQ-UHFFFAOYSA-N 1 1 407.540 0.838 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cnc21 ZINC000494842398 1077658237 /nfs/dbraw/zinc/65/82/37/1077658237.db2.gz OKIYXWHUNHGFPB-UHFFFAOYSA-N 1 1 404.515 0.863 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cnc21 ZINC000494842398 1077658235 /nfs/dbraw/zinc/65/82/35/1077658235.db2.gz OKIYXWHUNHGFPB-UHFFFAOYSA-N 1 1 404.515 0.863 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 ZINC000494843250 1077657657 /nfs/dbraw/zinc/65/76/57/1077657657.db2.gz ZAHWLCVWYREZAL-HNNXBMFYSA-N 1 1 402.495 0.961 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1 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/nfs/dbraw/zinc/65/92/89/1077659289.db2.gz DDEZRGCRLFIFGK-QGZVFWFLSA-N 1 1 406.531 0.519 20 0 HCADMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000494849072 1077659281 /nfs/dbraw/zinc/65/92/81/1077659281.db2.gz DDEZRGCRLFIFGK-QGZVFWFLSA-N 1 1 406.531 0.519 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000494851801 1077660281 /nfs/dbraw/zinc/66/02/81/1077660281.db2.gz UDXILZYXUBZAND-DZGCQCFKSA-N 1 1 406.458 0.836 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000494851802 1077660173 /nfs/dbraw/zinc/66/01/73/1077660173.db2.gz UDXILZYXUBZAND-HIFRSBDPSA-N 1 1 406.458 0.836 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000494851803 1077660384 /nfs/dbraw/zinc/66/03/84/1077660384.db2.gz UDXILZYXUBZAND-UKRRQHHQSA-N 1 1 406.458 0.836 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000494851804 1077660342 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LFZUCRZGXDHLBJ-AWEZNQCLSA-N 1 1 401.554 0.770 20 0 HCADMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000495404414 1077828382 /nfs/dbraw/zinc/82/83/82/1077828382.db2.gz LFZUCRZGXDHLBJ-CQSZACIVSA-N 1 1 401.554 0.770 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2[N@@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407955 1077827571 /nfs/dbraw/zinc/82/75/71/1077827571.db2.gz KLDYMQXSFHFTAY-HOTGVXAUSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2[N@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407955 1077827570 /nfs/dbraw/zinc/82/75/70/1077827570.db2.gz KLDYMQXSFHFTAY-HOTGVXAUSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2[N@@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407956 1077827557 /nfs/dbraw/zinc/82/75/57/1077827557.db2.gz KLDYMQXSFHFTAY-HZPDHXFCSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2[N@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407956 1077827556 /nfs/dbraw/zinc/82/75/56/1077827556.db2.gz KLDYMQXSFHFTAY-HZPDHXFCSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@H]2CCCC[C@H]2[N@@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407957 1077827614 /nfs/dbraw/zinc/82/76/14/1077827614.db2.gz KLDYMQXSFHFTAY-IYBDPMFKSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@H]2CCCC[C@H]2[N@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407957 1077827613 /nfs/dbraw/zinc/82/76/13/1077827613.db2.gz KLDYMQXSFHFTAY-IYBDPMFKSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407957 1077827612 /nfs/dbraw/zinc/82/76/12/1077827612.db2.gz KLDYMQXSFHFTAY-IYBDPMFKSA-N 1 1 418.498 0.875 20 0 HCADMO Cc1cc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2[N@H+](C)CC(=O)Nc2cc(C)on2)no1 ZINC000495407957 1077827610 /nfs/dbraw/zinc/82/76/10/1077827610.db2.gz KLDYMQXSFHFTAY-IYBDPMFKSA-N 1 1 418.498 0.875 20 0 HCADMO CN(CCC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000495408378 1077827596 /nfs/dbraw/zinc/82/75/96/1077827596.db2.gz LHVPITBUYVJHDZ-BGYRXZFFSA-N 1 1 424.586 0.659 20 0 HCADMO CN(CCC(=O)N1CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)N1CCOCC1 ZINC000495408378 1077827595 /nfs/dbraw/zinc/82/75/95/1077827595.db2.gz LHVPITBUYVJHDZ-BGYRXZFFSA-N 1 1 424.586 0.659 20 0 HCADMO CN(CCC(=O)N1CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000495408378 1077827594 /nfs/dbraw/zinc/82/75/94/1077827594.db2.gz LHVPITBUYVJHDZ-BGYRXZFFSA-N 1 1 424.586 0.659 20 0 HCADMO CN(CCC(=O)N1CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000495408379 1077827621 /nfs/dbraw/zinc/82/76/21/1077827621.db2.gz LHVPITBUYVJHDZ-PMACEKPBSA-N 1 1 424.586 0.659 20 0 HCADMO CN(CCC(=O)N1CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000495408380 1077827606 /nfs/dbraw/zinc/82/76/06/1077827606.db2.gz LHVPITBUYVJHDZ-WOJBJXKFSA-N 1 1 424.586 0.659 20 0 HCADMO C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000495409779 1077827815 /nfs/dbraw/zinc/82/78/15/1077827815.db2.gz PWGUSTOSGOJWCE-INIZCTEOSA-N 1 1 403.531 0.675 20 0 HCADMO C[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000495409780 1077827778 /nfs/dbraw/zinc/82/77/78/1077827778.db2.gz PWGUSTOSGOJWCE-MRXNPFEDSA-N 1 1 403.531 0.675 20 0 HCADMO CCS(=O)(=O)NCCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCNS(=O)(=O)CC ZINC000495409808 1077827802 /nfs/dbraw/zinc/82/78/02/1077827802.db2.gz QFLGGYRBHWWPPC-HOTGVXAUSA-N 1 1 412.622 0.040 20 0 HCADMO CCS(=O)(=O)NCCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCNS(=O)(=O)CC ZINC000495409809 1077827828 /nfs/dbraw/zinc/82/78/28/1077827828.db2.gz QFLGGYRBHWWPPC-HZPDHXFCSA-N 1 1 412.622 0.040 20 0 HCADMO CCS(=O)(=O)NCCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCNS(=O)(=O)CC ZINC000495409810 1077827841 /nfs/dbraw/zinc/82/78/41/1077827841.db2.gz QFLGGYRBHWWPPC-IYBDPMFKSA-N 1 1 412.622 0.040 20 0 HCADMO CCS(=O)(=O)NCCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCNS(=O)(=O)CC ZINC000495409810 1077827837 /nfs/dbraw/zinc/82/78/37/1077827837.db2.gz QFLGGYRBHWWPPC-IYBDPMFKSA-N 1 1 412.622 0.040 20 0 HCADMO CCS(=O)(=O)NCCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCNS(=O)(=O)CC ZINC000495409810 1077827836 /nfs/dbraw/zinc/82/78/36/1077827836.db2.gz QFLGGYRBHWWPPC-IYBDPMFKSA-N 1 1 412.622 0.040 20 0 HCADMO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH+](C2CC2)CC1 ZINC000495410563 1077827873 /nfs/dbraw/zinc/82/78/73/1077827873.db2.gz XNEFZQWFJNLQIK-KRWDZBQOSA-N 1 1 415.542 0.772 20 0 HCADMO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)N1CC[NH+](C2CC2)CC1 ZINC000495410564 1077827862 /nfs/dbraw/zinc/82/78/62/1077827862.db2.gz XNEFZQWFJNLQIK-QGZVFWFLSA-N 1 1 415.542 0.772 20 0 HCADMO Cc1cc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000495413063 1077829424 /nfs/dbraw/zinc/82/94/24/1077829424.db2.gz UDMNIWFBMFATNK-INIZCTEOSA-N 1 1 420.539 0.778 20 0 HCADMO Cc1cc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)nn1-c1nc(C)cc(C)n1 ZINC000495413064 1077829388 /nfs/dbraw/zinc/82/93/88/1077829388.db2.gz UDMNIWFBMFATNK-MRXNPFEDSA-N 1 1 420.539 0.778 20 0 HCADMO C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420319 1077830656 /nfs/dbraw/zinc/83/06/56/1077830656.db2.gz GXBTVAQUSZQANJ-KRWDZBQOSA-N 1 1 403.531 0.629 20 0 HCADMO C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495420320 1077830596 /nfs/dbraw/zinc/83/05/96/1077830596.db2.gz GXBTVAQUSZQANJ-QGZVFWFLSA-N 1 1 403.531 0.629 20 0 HCADMO CN1CC(=O)N(CC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000495422931 1077829745 /nfs/dbraw/zinc/82/97/45/1077829745.db2.gz MUOMZNACXVHKNV-UHFFFAOYSA-N 1 1 401.511 0.595 20 0 HCADMO CC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495425921 1077830148 /nfs/dbraw/zinc/83/01/48/1077830148.db2.gz HIPSENLSQGGKLC-KRWDZBQOSA-N 1 1 403.531 0.629 20 0 HCADMO CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000495425922 1077830104 /nfs/dbraw/zinc/83/01/04/1077830104.db2.gz HIPSENLSQGGKLC-QGZVFWFLSA-N 1 1 403.531 0.629 20 0 HCADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000495427177 1077830107 /nfs/dbraw/zinc/83/01/07/1077830107.db2.gz PTJQFMDGWBOZRU-UHFFFAOYSA-N 1 1 412.581 0.891 20 0 HCADMO C[N@@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495445144 1077832822 /nfs/dbraw/zinc/83/28/22/1077832822.db2.gz QYKMDDMZGVJXII-KRWDZBQOSA-N 1 1 402.557 0.808 20 0 HCADMO C[N@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495445144 1077832820 /nfs/dbraw/zinc/83/28/20/1077832820.db2.gz QYKMDDMZGVJXII-KRWDZBQOSA-N 1 1 402.557 0.808 20 0 HCADMO C[N@@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495445145 1077832871 /nfs/dbraw/zinc/83/28/71/1077832871.db2.gz QYKMDDMZGVJXII-QGZVFWFLSA-N 1 1 402.557 0.808 20 0 HCADMO C[N@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495445145 1077832870 /nfs/dbraw/zinc/83/28/70/1077832870.db2.gz QYKMDDMZGVJXII-QGZVFWFLSA-N 1 1 402.557 0.808 20 0 HCADMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000495456233 1077833368 /nfs/dbraw/zinc/83/33/68/1077833368.db2.gz YLUSCDRELJKWRT-IRXDYDNUSA-N 1 1 409.556 0.385 20 0 HCADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000495456234 1077833345 /nfs/dbraw/zinc/83/33/45/1077833345.db2.gz YLUSCDRELJKWRT-SJORKVTESA-N 1 1 409.556 0.385 20 0 HCADMO C[N@@H+](CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459794 1077833619 /nfs/dbraw/zinc/83/36/19/1077833619.db2.gz GQXKGMLLKZBWQF-DLBZAZTESA-N 1 1 418.556 0.045 20 0 HCADMO C[N@H+](CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459794 1077833618 /nfs/dbraw/zinc/83/36/18/1077833618.db2.gz GQXKGMLLKZBWQF-DLBZAZTESA-N 1 1 418.556 0.045 20 0 HCADMO C[N@@H+](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459795 1077833661 /nfs/dbraw/zinc/83/36/61/1077833661.db2.gz GQXKGMLLKZBWQF-IAGOWNOFSA-N 1 1 418.556 0.045 20 0 HCADMO C[N@H+](CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459795 1077833658 /nfs/dbraw/zinc/83/36/58/1077833658.db2.gz GQXKGMLLKZBWQF-IAGOWNOFSA-N 1 1 418.556 0.045 20 0 HCADMO C[N@@H+](CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459796 1077833642 /nfs/dbraw/zinc/83/36/42/1077833642.db2.gz GQXKGMLLKZBWQF-IRXDYDNUSA-N 1 1 418.556 0.045 20 0 HCADMO C[N@H+](CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459796 1077833641 /nfs/dbraw/zinc/83/36/41/1077833641.db2.gz GQXKGMLLKZBWQF-IRXDYDNUSA-N 1 1 418.556 0.045 20 0 HCADMO C[N@@H+](CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459797 1077833600 /nfs/dbraw/zinc/83/36/00/1077833600.db2.gz GQXKGMLLKZBWQF-SJORKVTESA-N 1 1 418.556 0.045 20 0 HCADMO C[N@H+](CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C1(CCO)CCOCC1 ZINC000495459797 1077833599 /nfs/dbraw/zinc/83/35/99/1077833599.db2.gz GQXKGMLLKZBWQF-SJORKVTESA-N 1 1 418.556 0.045 20 0 HCADMO O=C(CSCC(=O)N1CCOCC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000495462149 1077833944 /nfs/dbraw/zinc/83/39/44/1077833944.db2.gz IUCFOTBAYOYUHW-UHFFFAOYSA-N 1 1 407.536 0.727 20 0 HCADMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000495495986 1077836782 /nfs/dbraw/zinc/83/67/82/1077836782.db2.gz AAOOWWDPRUZGAS-GOSISDBHSA-N 1 1 422.551 0.672 20 0 HCADMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000495495987 1077836848 /nfs/dbraw/zinc/83/68/48/1077836848.db2.gz AAOOWWDPRUZGAS-SFHVURJKSA-N 1 1 422.551 0.672 20 0 HCADMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495496031 1077836842 /nfs/dbraw/zinc/83/68/42/1077836842.db2.gz AVGPPXQLFQEQRU-KRWDZBQOSA-N 1 1 403.462 0.185 20 0 HCADMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495496032 1077836858 /nfs/dbraw/zinc/83/68/58/1077836858.db2.gz AVGPPXQLFQEQRU-QGZVFWFLSA-N 1 1 403.462 0.185 20 0 HCADMO COc1ccc(N2C[C@@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)c(OC)c1 ZINC000495496033 1077836825 /nfs/dbraw/zinc/83/68/25/1077836825.db2.gz AWBATOQFQYDRNF-HNNXBMFYSA-N 1 1 418.494 0.337 20 0 HCADMO COc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)c(OC)c1 ZINC000495496034 1077836799 /nfs/dbraw/zinc/83/67/99/1077836799.db2.gz AWBATOQFQYDRNF-OAHLLOKOSA-N 1 1 418.494 0.337 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 ZINC000495496501 1077836853 /nfs/dbraw/zinc/83/68/53/1077836853.db2.gz FYTKNDBTHNBTDN-UHFFFAOYSA-N 1 1 405.480 0.811 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000495496793 1077836830 /nfs/dbraw/zinc/83/68/30/1077836830.db2.gz JEUVRCONNNURKS-UHFFFAOYSA-N 1 1 422.551 0.801 20 0 HCADMO CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000495497059 1077836983 /nfs/dbraw/zinc/83/69/83/1077836983.db2.gz MRUICQSXLOQCBD-KRWDZBQOSA-N 1 1 408.524 0.363 20 0 HCADMO CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000495497060 1077837019 /nfs/dbraw/zinc/83/70/19/1077837019.db2.gz MRUICQSXLOQCBD-QGZVFWFLSA-N 1 1 408.524 0.363 20 0 HCADMO COc1cccc(C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)n2nnnc2C)c1 ZINC000495497192 1077836953 /nfs/dbraw/zinc/83/69/53/1077836953.db2.gz NTTJKWBZVJMXIJ-GOSISDBHSA-N 1 1 415.498 0.054 20 0 HCADMO COc1cccc(C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)n2nnnc2C)c1 ZINC000495497193 1077837001 /nfs/dbraw/zinc/83/70/01/1077837001.db2.gz NTTJKWBZVJMXIJ-SFHVURJKSA-N 1 1 415.498 0.054 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000495497247 1077836946 /nfs/dbraw/zinc/83/69/46/1077836946.db2.gz ORRHZLAZZJOQNA-UHFFFAOYSA-N 1 1 408.524 0.269 20 0 HCADMO Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1NS(C)(=O)=O ZINC000495497275 1077836957 /nfs/dbraw/zinc/83/69/57/1077836957.db2.gz POJPJSCDPLWGCT-KRWDZBQOSA-N 1 1 408.524 0.745 20 0 HCADMO Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1NS(C)(=O)=O ZINC000495497276 1077836977 /nfs/dbraw/zinc/83/69/77/1077836977.db2.gz POJPJSCDPLWGCT-QGZVFWFLSA-N 1 1 408.524 0.745 20 0 HCADMO CN(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Br)o1 ZINC000495497626 1077836964 /nfs/dbraw/zinc/83/69/64/1077836964.db2.gz SKGYKGUGFBEGSC-UHFFFAOYSA-N 1 1 415.288 0.394 20 0 HCADMO CCN(CC)C(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000495497727 1077836999 /nfs/dbraw/zinc/83/69/99/1077836999.db2.gz TZWNLNCDPMTRHD-GOSISDBHSA-N 1 1 407.559 0.925 20 0 HCADMO CCN(CC)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000495497739 1077836991 /nfs/dbraw/zinc/83/69/91/1077836991.db2.gz TZWNLNCDPMTRHD-SFHVURJKSA-N 1 1 407.559 0.925 20 0 HCADMO COc1ccc(C)cc1N1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495498299 1077837171 /nfs/dbraw/zinc/83/71/71/1077837171.db2.gz ZUPOGOGHTVEUFX-INIZCTEOSA-N 1 1 402.495 0.637 20 0 HCADMO COc1ccc(C)cc1N1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495498300 1077837175 /nfs/dbraw/zinc/83/71/75/1077837175.db2.gz ZUPOGOGHTVEUFX-MRXNPFEDSA-N 1 1 402.495 0.637 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000495500706 1077837350 /nfs/dbraw/zinc/83/73/50/1077837350.db2.gz BWRCDRWAOSVNQC-GOSISDBHSA-N 1 1 420.535 0.605 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000495500712 1077837336 /nfs/dbraw/zinc/83/73/36/1077837336.db2.gz BWRCDRWAOSVNQC-SFHVURJKSA-N 1 1 420.535 0.605 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000495500756 1077837192 /nfs/dbraw/zinc/83/71/92/1077837192.db2.gz CHVHJQNVHGSLLK-GOSISDBHSA-N 1 1 405.543 0.679 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000495500758 1077837184 /nfs/dbraw/zinc/83/71/84/1077837184.db2.gz CHVHJQNVHGSLLK-SFHVURJKSA-N 1 1 405.543 0.679 20 0 HCADMO Cc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000495500776 1077837150 /nfs/dbraw/zinc/83/71/50/1077837150.db2.gz CKOPCFHHDOUGMN-UHFFFAOYSA-N 1 1 410.540 0.448 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000495501276 1077837671 /nfs/dbraw/zinc/83/76/71/1077837671.db2.gz HAJSGAVFYIPNDZ-HNNXBMFYSA-N 1 1 407.544 0.645 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000495501277 1077837695 /nfs/dbraw/zinc/83/76/95/1077837695.db2.gz HAJSGAVFYIPNDZ-OAHLLOKOSA-N 1 1 407.544 0.645 20 0 HCADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000495501385 1077837515 /nfs/dbraw/zinc/83/75/15/1077837515.db2.gz IGZQBWNGMGFIKM-HNNXBMFYSA-N 1 1 410.540 0.657 20 0 HCADMO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000495501386 1077837663 /nfs/dbraw/zinc/83/76/63/1077837663.db2.gz IGZQBWNGMGFIKM-OAHLLOKOSA-N 1 1 410.540 0.657 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)n1cccn1 ZINC000495501539 1077837496 /nfs/dbraw/zinc/83/74/96/1077837496.db2.gz JKQOQKFZHLVWCD-GOSISDBHSA-N 1 1 412.538 0.966 20 0 HCADMO C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)n1cccn1 ZINC000495501540 1077837446 /nfs/dbraw/zinc/83/74/46/1077837446.db2.gz JKQOQKFZHLVWCD-SFHVURJKSA-N 1 1 412.538 0.966 20 0 HCADMO COc1ccc(-c2noc(CCC(=O)NCCC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000495501922 1077836143 /nfs/dbraw/zinc/83/61/43/1077836143.db2.gz MQMBUHDYOSJWAB-UHFFFAOYSA-N 1 1 401.467 0.958 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000495502041 1077837699 /nfs/dbraw/zinc/83/76/99/1077837699.db2.gz NHMDSGKOKYMLIT-UHFFFAOYSA-N 1 1 424.567 0.919 20 0 HCADMO Cc1sc2ncn(CCC(=O)NCCC(=O)N3CC[NH+](C)CC3)c(=O)c2c1C ZINC000495502615 1077836330 /nfs/dbraw/zinc/83/63/30/1077836330.db2.gz SFRLQWCEUADOGH-UHFFFAOYSA-N 1 1 405.524 0.745 20 0 HCADMO CN1CC(=O)N(CCCC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1=O ZINC000495503277 1077836339 /nfs/dbraw/zinc/83/63/39/1077836339.db2.gz YJZMPAUGVIAAKS-UHFFFAOYSA-N 1 1 401.511 0.724 20 0 HCADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1C ZINC000495505276 1077838643 /nfs/dbraw/zinc/83/86/43/1077838643.db2.gz BMZXUSXOESAAMV-UHFFFAOYSA-N 1 1 424.567 0.919 20 0 HCADMO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2=O ZINC000495505357 1077838835 /nfs/dbraw/zinc/83/88/35/1077838835.db2.gz FDGQLLLHUSTPEJ-BTYIYWSLSA-N 1 1 421.542 0.404 20 0 HCADMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2=O ZINC000495505358 1077838887 /nfs/dbraw/zinc/83/88/87/1077838887.db2.gz FDGQLLLHUSTPEJ-QVKFZJNVSA-N 1 1 421.542 0.404 20 0 HCADMO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2=O ZINC000495505359 1077838847 /nfs/dbraw/zinc/83/88/47/1077838847.db2.gz FDGQLLLHUSTPEJ-VFNWGFHPSA-N 1 1 421.542 0.404 20 0 HCADMO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2=O ZINC000495505360 1077838882 /nfs/dbraw/zinc/83/88/82/1077838882.db2.gz FDGQLLLHUSTPEJ-YCRPNKLZSA-N 1 1 421.542 0.404 20 0 HCADMO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000495505390 1077838584 /nfs/dbraw/zinc/83/85/84/1077838584.db2.gz FSXWJSGFNKHLCB-UHFFFAOYSA-N 1 1 410.540 0.609 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000495505445 1077838672 /nfs/dbraw/zinc/83/86/72/1077838672.db2.gz HBKFRWWISKCTBP-IBGZPJMESA-N 1 1 400.523 0.748 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000495505446 1077838637 /nfs/dbraw/zinc/83/86/37/1077838637.db2.gz HBKFRWWISKCTBP-LJQANCHMSA-N 1 1 400.523 0.748 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)CSCC(=O)N3CCOCC3)cc2)CC1 ZINC000495505510 1077838616 /nfs/dbraw/zinc/83/86/16/1077838616.db2.gz IMHLRGOYLZJNQO-UHFFFAOYSA-N 1 1 420.579 0.642 20 0 HCADMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000495505530 1077838602 /nfs/dbraw/zinc/83/86/02/1077838602.db2.gz JAMOGTZBZQIAMU-UHFFFAOYSA-N 1 1 410.540 0.204 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000495505641 1077838676 /nfs/dbraw/zinc/83/86/76/1077838676.db2.gz LIWUBVSWDGCTNH-DLBZAZTESA-N 1 1 422.526 0.249 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000495505642 1077838633 /nfs/dbraw/zinc/83/86/33/1077838633.db2.gz LIWUBVSWDGCTNH-IAGOWNOFSA-N 1 1 422.526 0.249 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000495505643 1077838590 /nfs/dbraw/zinc/83/85/90/1077838590.db2.gz LIWUBVSWDGCTNH-IRXDYDNUSA-N 1 1 422.526 0.249 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000495505644 1077838608 /nfs/dbraw/zinc/83/86/08/1077838608.db2.gz LIWUBVSWDGCTNH-SJORKVTESA-N 1 1 422.526 0.249 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000495505746 1077837638 /nfs/dbraw/zinc/83/76/38/1077837638.db2.gz NNGRVJZVXACKLN-BBWFWOEESA-N 1 1 404.511 0.317 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000495505747 1077837674 /nfs/dbraw/zinc/83/76/74/1077837674.db2.gz NNGRVJZVXACKLN-IXDOHACOSA-N 1 1 404.511 0.317 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000495505748 1077837644 /nfs/dbraw/zinc/83/76/44/1077837644.db2.gz NNGRVJZVXACKLN-ZACQAIPSSA-N 1 1 404.511 0.317 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000495505876 1077838648 /nfs/dbraw/zinc/83/86/48/1077838648.db2.gz PZELLCNVXLVOEZ-UHFFFAOYSA-N 1 1 408.524 0.293 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000495505895 1077838663 /nfs/dbraw/zinc/83/86/63/1077838663.db2.gz QPMLHIXZIAZJKR-UHFFFAOYSA-N 1 1 424.567 0.642 20 0 HCADMO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000495505914 1077837689 /nfs/dbraw/zinc/83/76/89/1077837689.db2.gz REIMPKLYTQMYKT-INIZCTEOSA-N 1 1 418.494 0.620 20 0 HCADMO COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000495505915 1077837631 /nfs/dbraw/zinc/83/76/31/1077837631.db2.gz REIMPKLYTQMYKT-MRXNPFEDSA-N 1 1 418.494 0.620 20 0 HCADMO CCCCS(=O)(=O)N1CCC(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000495505976 1077837838 /nfs/dbraw/zinc/83/78/38/1077837838.db2.gz SLYNEZLDAXYERS-UHFFFAOYSA-N 1 1 402.561 0.109 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000495506056 1077837871 /nfs/dbraw/zinc/83/78/71/1077837871.db2.gz UQJSMDIXWGOZLO-GOSISDBHSA-N 1 1 420.535 0.506 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000495506057 1077837819 /nfs/dbraw/zinc/83/78/19/1077837819.db2.gz UQJSMDIXWGOZLO-SFHVURJKSA-N 1 1 420.535 0.506 20 0 HCADMO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495506250 1077837618 /nfs/dbraw/zinc/83/76/18/1077837618.db2.gz WGNZVAFFDSGWSG-AWEZNQCLSA-N 1 1 422.913 0.982 20 0 HCADMO COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495506251 1077837686 /nfs/dbraw/zinc/83/76/86/1077837686.db2.gz WGNZVAFFDSGWSG-CQSZACIVSA-N 1 1 422.913 0.982 20 0 HCADMO Cc1ccc(-n2cnnc2SCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000495520438 1077839678 /nfs/dbraw/zinc/83/96/78/1077839678.db2.gz DSMYFJVKNTWVGY-UHFFFAOYSA-N 1 1 402.524 0.948 20 0 HCADMO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)C2=O ZINC000495520474 1077839696 /nfs/dbraw/zinc/83/96/96/1077839696.db2.gz FIQJAPCHMCZTEY-VWKPWSFCSA-N 1 1 419.526 0.252 20 0 HCADMO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)C2=O ZINC000495520475 1077839729 /nfs/dbraw/zinc/83/97/29/1077839729.db2.gz FIQJAPCHMCZTEY-XFQAVAEZSA-N 1 1 419.526 0.252 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000495520697 1077839667 /nfs/dbraw/zinc/83/96/67/1077839667.db2.gz HQNAXNUMRWKMAP-GOSISDBHSA-N 1 1 420.535 0.387 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC000495520698 1077839734 /nfs/dbraw/zinc/83/97/34/1077839734.db2.gz HQNAXNUMRWKMAP-SFHVURJKSA-N 1 1 420.535 0.387 20 0 HCADMO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495520980 1077839818 /nfs/dbraw/zinc/83/98/18/1077839818.db2.gz JWGFIKJVIQMNAS-IBGZPJMESA-N 1 1 403.527 0.791 20 0 HCADMO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495520981 1077839980 /nfs/dbraw/zinc/83/99/80/1077839980.db2.gz JWGFIKJVIQMNAS-LJQANCHMSA-N 1 1 403.527 0.791 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000495521187 1077840044 /nfs/dbraw/zinc/84/00/44/1077840044.db2.gz LSOPVQWRVWOVRE-UHFFFAOYSA-N 1 1 414.553 0.427 20 0 HCADMO C[C@H]1Cc2cc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc2N1S(C)(=O)=O ZINC000495521193 1077840084 /nfs/dbraw/zinc/84/00/84/1077840084.db2.gz LWIFVIUJARUNMO-AWEZNQCLSA-N 1 1 408.524 0.291 20 0 HCADMO C[C@@H]1Cc2cc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc2N1S(C)(=O)=O ZINC000495521194 1077840035 /nfs/dbraw/zinc/84/00/35/1077840035.db2.gz LWIFVIUJARUNMO-CQSZACIVSA-N 1 1 408.524 0.291 20 0 HCADMO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC(=O)N1CC[NH+](C)CC1)C2=O ZINC000495521322 1077840052 /nfs/dbraw/zinc/84/00/52/1077840052.db2.gz MKTBCYMWESWTKM-UHFFFAOYSA-N 1 1 407.515 0.158 20 0 HCADMO CCOc1ccccc1N1C[C@@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495521531 1077839992 /nfs/dbraw/zinc/83/99/92/1077839992.db2.gz OXTXVTJAMCYBNR-INIZCTEOSA-N 1 1 402.495 0.719 20 0 HCADMO CCOc1ccccc1N1C[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000495521532 1077839975 /nfs/dbraw/zinc/83/99/75/1077839975.db2.gz OXTXVTJAMCYBNR-MRXNPFEDSA-N 1 1 402.495 0.719 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495521598 1077840029 /nfs/dbraw/zinc/84/00/29/1077840029.db2.gz POSHSGHNMXFQMW-AWEZNQCLSA-N 1 1 414.553 0.182 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495521600 1077839988 /nfs/dbraw/zinc/83/99/88/1077839988.db2.gz POSHSGHNMXFQMW-CQSZACIVSA-N 1 1 414.553 0.182 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000495521851 1077840019 /nfs/dbraw/zinc/84/00/19/1077840019.db2.gz REAMOXVZQQEMMI-HNNXBMFYSA-N 1 1 416.478 0.091 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000495521852 1077840039 /nfs/dbraw/zinc/84/00/39/1077840039.db2.gz REAMOXVZQQEMMI-OAHLLOKOSA-N 1 1 416.478 0.091 20 0 HCADMO COc1ccc(-n2cnnc2SCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000495522128 1077839021 /nfs/dbraw/zinc/83/90/21/1077839021.db2.gz VMSCTOHSWAVVOO-UHFFFAOYSA-N 1 1 418.523 0.648 20 0 HCADMO COc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000495522283 1077839040 /nfs/dbraw/zinc/83/90/40/1077839040.db2.gz WVCNEXSWJGDDQA-UHFFFAOYSA-N 1 1 424.523 0.030 20 0 HCADMO CCn1c(SCC(=O)NCCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccco1 ZINC000495522290 1077839051 /nfs/dbraw/zinc/83/90/51/1077839051.db2.gz WZCLRGJLFVXCSL-UHFFFAOYSA-N 1 1 406.512 0.930 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000495533082 1077841549 /nfs/dbraw/zinc/84/15/49/1077841549.db2.gz AKDYQUXPSCNHHW-UHFFFAOYSA-N 1 1 404.555 0.989 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000495533234 1077841554 /nfs/dbraw/zinc/84/15/54/1077841554.db2.gz BZXFDMJMRAZRJI-KRWDZBQOSA-N 1 1 404.486 0.958 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC000495533235 1077841492 /nfs/dbraw/zinc/84/14/92/1077841492.db2.gz BZXFDMJMRAZRJI-QGZVFWFLSA-N 1 1 404.486 0.958 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000495533245 1077841501 /nfs/dbraw/zinc/84/15/01/1077841501.db2.gz CHSIBEKOPFNEMG-GOSISDBHSA-N 1 1 420.535 0.605 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000495533246 1077841542 /nfs/dbraw/zinc/84/15/42/1077841542.db2.gz CHSIBEKOPFNEMG-SFHVURJKSA-N 1 1 420.535 0.605 20 0 HCADMO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495533941 1077841757 /nfs/dbraw/zinc/84/17/57/1077841757.db2.gz HYFWXZXVCWNBOB-UHFFFAOYSA-N 1 1 407.862 0.218 20 0 HCADMO CCCn1c2ccccc2n(CCC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1=O ZINC000495535231 1077841876 /nfs/dbraw/zinc/84/18/76/1077841876.db2.gz PPEQNBWTWOYTOS-UHFFFAOYSA-N 1 1 401.511 0.883 20 0 HCADMO CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495535509 1077841946 /nfs/dbraw/zinc/84/19/46/1077841946.db2.gz RWPXPQSRUQMKCH-KRWDZBQOSA-N 1 1 406.552 0.818 20 0 HCADMO CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495535510 1077841937 /nfs/dbraw/zinc/84/19/37/1077841937.db2.gz RWPXPQSRUQMKCH-QGZVFWFLSA-N 1 1 406.552 0.818 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000495535626 1077841698 /nfs/dbraw/zinc/84/16/98/1077841698.db2.gz UXKMTNHJNMYNRT-IBGZPJMESA-N 1 1 424.567 0.578 20 0 HCADMO CCOc1ccccc1C(=O)NCCCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495535726 1077841677 /nfs/dbraw/zinc/84/16/77/1077841677.db2.gz WQOPYNTXMUOYKQ-UHFFFAOYSA-N 1 1 404.511 0.876 20 0 HCADMO COCCNC(=O)CSc1ccccc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495535737 1077841762 /nfs/dbraw/zinc/84/17/62/1077841762.db2.gz WTWCCHNIEGVIGA-UHFFFAOYSA-N 1 1 422.551 0.435 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000495535834 1077841717 /nfs/dbraw/zinc/84/17/17/1077841717.db2.gz ZASUTLHVHJCJBG-HNNXBMFYSA-N 1 1 405.499 0.006 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000495535835 1077841745 /nfs/dbraw/zinc/84/17/45/1077841745.db2.gz ZASUTLHVHJCJBG-OAHLLOKOSA-N 1 1 405.499 0.006 20 0 HCADMO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495549762 1077842059 /nfs/dbraw/zinc/84/20/59/1077842059.db2.gz CGXWVXNNHMCUMA-GOSISDBHSA-N 1 1 416.522 0.970 20 0 HCADMO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495549763 1077842106 /nfs/dbraw/zinc/84/21/06/1077842106.db2.gz CGXWVXNNHMCUMA-SFHVURJKSA-N 1 1 416.522 0.970 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000495549809 1077842063 /nfs/dbraw/zinc/84/20/63/1077842063.db2.gz DGJRYGNKJYZAOJ-SFHVURJKSA-N 1 1 422.551 0.428 20 0 HCADMO Cc1cc(=O)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1-c1ccccc1F ZINC000495549817 1077842052 /nfs/dbraw/zinc/84/20/52/1077842052.db2.gz DHUOTPOJHHJEAK-UHFFFAOYSA-N 1 1 401.442 0.574 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000495550856 1077842307 /nfs/dbraw/zinc/84/23/07/1077842307.db2.gz MMEVYJWPPOHVOD-UHFFFAOYSA-N 1 1 422.551 0.755 20 0 HCADMO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495551016 1077842471 /nfs/dbraw/zinc/84/24/71/1077842471.db2.gz QILMYFAADYDVTC-KRWDZBQOSA-N 1 1 402.605 0.828 20 0 HCADMO CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000495551017 1077842514 /nfs/dbraw/zinc/84/25/14/1077842514.db2.gz QILMYFAADYDVTC-QGZVFWFLSA-N 1 1 402.605 0.828 20 0 HCADMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000495551127 1077842678 /nfs/dbraw/zinc/84/26/78/1077842678.db2.gz SQBKIJLTUWMIIO-UHFFFAOYSA-N 1 1 408.524 0.330 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000495551340 1077842444 /nfs/dbraw/zinc/84/24/44/1077842444.db2.gz XVQJBUQNSRWMJY-DZGCQCFKSA-N 1 1 403.932 0.922 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000495551341 1077842483 /nfs/dbraw/zinc/84/24/83/1077842483.db2.gz XVQJBUQNSRWMJY-ZFWWWQNUSA-N 1 1 403.932 0.922 20 0 HCADMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000495551357 1077842465 /nfs/dbraw/zinc/84/24/65/1077842465.db2.gz YELIYOCSCSEJNL-INIZCTEOSA-N 1 1 410.584 0.924 20 0 HCADMO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000495551358 1077842489 /nfs/dbraw/zinc/84/24/89/1077842489.db2.gz YELIYOCSCSEJNL-MRXNPFEDSA-N 1 1 410.584 0.924 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000495551395 1077842638 /nfs/dbraw/zinc/84/26/38/1077842638.db2.gz ZBCOHZQFKBKNNA-GOSISDBHSA-N 1 1 418.513 0.887 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 ZINC000495551396 1077842664 /nfs/dbraw/zinc/84/26/64/1077842664.db2.gz ZBCOHZQFKBKNNA-SFHVURJKSA-N 1 1 418.513 0.887 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000495564196 1077844336 /nfs/dbraw/zinc/84/43/36/1077844336.db2.gz IDJCTPLRRKHCDW-CVEARBPZSA-N 1 1 414.547 0.882 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC000495564203 1077844315 /nfs/dbraw/zinc/84/43/15/1077844315.db2.gz IDJCTPLRRKHCDW-HOTGVXAUSA-N 1 1 414.547 0.882 20 0 HCADMO C[C@H](CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)CN1CC[NH+](C)CC1 ZINC000495564543 1077844129 /nfs/dbraw/zinc/84/41/29/1077844129.db2.gz JKFQMTZVTJJBDC-ATZDWAIDSA-N 1 1 422.570 0.968 20 0 HCADMO C[C@H](CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)CN1CC[NH+](C)CC1 ZINC000495564549 1077844137 /nfs/dbraw/zinc/84/41/37/1077844137.db2.gz JKFQMTZVTJJBDC-AYOQOUSVSA-N 1 1 422.570 0.968 20 0 HCADMO C[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)CN1CC[NH+](C)CC1 ZINC000495564550 1077844143 /nfs/dbraw/zinc/84/41/43/1077844143.db2.gz JKFQMTZVTJJBDC-LZQZEXGQSA-N 1 1 422.570 0.968 20 0 HCADMO C[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)CN1CC[NH+](C)CC1 ZINC000495564551 1077844173 /nfs/dbraw/zinc/84/41/73/1077844173.db2.gz JKFQMTZVTJJBDC-MNEFBYGVSA-N 1 1 422.570 0.968 20 0 HCADMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CC[NH+](C)CC1 ZINC000495581078 1077848333 /nfs/dbraw/zinc/84/83/33/1077848333.db2.gz UDMKSFFOIOIDIB-DLBZAZTESA-N 1 1 416.522 0.810 20 0 HCADMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CC[NH+](C)CC1 ZINC000495581079 1077848377 /nfs/dbraw/zinc/84/83/77/1077848377.db2.gz UDMKSFFOIOIDIB-IAGOWNOFSA-N 1 1 416.522 0.810 20 0 HCADMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CC[NH+](C)CC1 ZINC000495581080 1077848360 /nfs/dbraw/zinc/84/83/60/1077848360.db2.gz UDMKSFFOIOIDIB-IRXDYDNUSA-N 1 1 416.522 0.810 20 0 HCADMO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)CN1CC[NH+](C)CC1 ZINC000495581081 1077848313 /nfs/dbraw/zinc/84/83/13/1077848313.db2.gz UDMKSFFOIOIDIB-SJORKVTESA-N 1 1 416.522 0.810 20 0 HCADMO CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C2=O ZINC000495593929 1077849574 /nfs/dbraw/zinc/84/95/74/1077849574.db2.gz KFOQJBPSINLDFJ-BQJIDLTASA-N 1 1 407.559 0.877 20 0 HCADMO CCC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C2=O ZINC000495593932 1077849501 /nfs/dbraw/zinc/84/95/01/1077849501.db2.gz KFOQJBPSINLDFJ-ZGGTZUKQSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000495605266 1077851082 /nfs/dbraw/zinc/85/10/82/1077851082.db2.gz DMASPJBBNBBELG-INIZCTEOSA-N 1 1 401.511 0.742 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000495607813 1077851268 /nfs/dbraw/zinc/85/12/68/1077851268.db2.gz MQHAXASXBUSEDZ-HIFRSBDPSA-N 1 1 415.560 0.348 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000495607837 1077851306 /nfs/dbraw/zinc/85/13/06/1077851306.db2.gz MQHAXASXBUSEDZ-ZFWWWQNUSA-N 1 1 415.560 0.348 20 0 HCADMO C[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)CN1CC[NH+](C)CC1 ZINC000495607914 1077851273 /nfs/dbraw/zinc/85/12/73/1077851273.db2.gz MVXCOMWOMQLBIM-AWEZNQCLSA-N 1 1 402.586 0.453 20 0 HCADMO C[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)CN1CC[NH+](C)CC1 ZINC000495607916 1077851289 /nfs/dbraw/zinc/85/12/89/1077851289.db2.gz MVXCOMWOMQLBIM-CQSZACIVSA-N 1 1 402.586 0.453 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608467 1077851491 /nfs/dbraw/zinc/85/14/91/1077851491.db2.gz SQOPUBYNWYYTKS-CBGDNZLLSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608468 1077851466 /nfs/dbraw/zinc/85/14/66/1077851466.db2.gz SQOPUBYNWYYTKS-LLGFUMIMSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000495608469 1077851509 /nfs/dbraw/zinc/85/15/09/1077851509.db2.gz SQOPUBYNWYYTKS-LZJOCLMNSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000495608470 1077851500 /nfs/dbraw/zinc/85/15/00/1077851500.db2.gz SQOPUBYNWYYTKS-WWMYMODYSA-N 1 1 407.559 0.877 20 0 HCADMO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CN1CC[NH+](C)CC1 ZINC000495609087 1077850489 /nfs/dbraw/zinc/85/04/89/1077850489.db2.gz ZHUUYQNNFHETGE-KRWDZBQOSA-N 1 1 424.567 0.321 20 0 HCADMO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)CN1CC[NH+](C)CC1 ZINC000495609088 1077850464 /nfs/dbraw/zinc/85/04/64/1077850464.db2.gz ZHUUYQNNFHETGE-QGZVFWFLSA-N 1 1 424.567 0.321 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495609094 1077850480 /nfs/dbraw/zinc/85/04/80/1077850480.db2.gz ZKRMXOHODLSOMA-HNNXBMFYSA-N 1 1 402.586 0.806 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000495609095 1077850454 /nfs/dbraw/zinc/85/04/54/1077850454.db2.gz ZKRMXOHODLSOMA-OAHLLOKOSA-N 1 1 402.586 0.806 20 0 HCADMO CS[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C[C@H]1[NH+](C)C ZINC000495620135 1077852876 /nfs/dbraw/zinc/85/28/76/1077852876.db2.gz PBHGTEOQIVKKAW-CHWSQXEVSA-N 1 1 408.509 0.215 20 0 HCADMO CS[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C[C@H]1[NH+](C)C ZINC000495620141 1077852892 /nfs/dbraw/zinc/85/28/92/1077852892.db2.gz PBHGTEOQIVKKAW-OLZOCXBDSA-N 1 1 408.509 0.215 20 0 HCADMO CS[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C[C@@H]1[NH+](C)C ZINC000495620142 1077852870 /nfs/dbraw/zinc/85/28/70/1077852870.db2.gz PBHGTEOQIVKKAW-QWHCGFSZSA-N 1 1 408.509 0.215 20 0 HCADMO CS[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)C[C@@H]1[NH+](C)C ZINC000495620144 1077852910 /nfs/dbraw/zinc/85/29/10/1077852910.db2.gz PBHGTEOQIVKKAW-STQMWFEESA-N 1 1 408.509 0.215 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635446 1077855260 /nfs/dbraw/zinc/85/52/60/1077855260.db2.gz JWQJFJCYFPQGMF-HNNXBMFYSA-N 1 1 416.613 0.843 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000495635447 1077855303 /nfs/dbraw/zinc/85/53/03/1077855303.db2.gz JWQJFJCYFPQGMF-OAHLLOKOSA-N 1 1 416.613 0.843 20 0 HCADMO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1F ZINC000495637106 1077855711 /nfs/dbraw/zinc/85/57/11/1077855711.db2.gz JIYNSGZVSMWBGB-GUYCJALGSA-N 1 1 408.449 0.907 20 0 HCADMO C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccc(F)cc1F ZINC000495637107 1077855677 /nfs/dbraw/zinc/85/56/77/1077855677.db2.gz JIYNSGZVSMWBGB-SUMWQHHRSA-N 1 1 408.449 0.907 20 0 HCADMO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000495639963 1077855695 /nfs/dbraw/zinc/85/56/95/1077855695.db2.gz YQOPQHISGWWDKK-CYBMUJFWSA-N 1 1 407.906 0.938 20 0 HCADMO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000495639964 1077855961 /nfs/dbraw/zinc/85/59/61/1077855961.db2.gz YQOPQHISGWWDKK-ZDUSSCGKSA-N 1 1 407.906 0.938 20 0 HCADMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000495653287 1077857331 /nfs/dbraw/zinc/85/73/31/1077857331.db2.gz HUFJHYDBYIEAFP-BEFAXECRSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000495653290 1077857320 /nfs/dbraw/zinc/85/73/20/1077857320.db2.gz HUFJHYDBYIEAFP-DNVCBOLYSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000495653291 1077857252 /nfs/dbraw/zinc/85/72/52/1077857252.db2.gz HUFJHYDBYIEAFP-HNAYVOBHSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000495653292 1077857276 /nfs/dbraw/zinc/85/72/76/1077857276.db2.gz HUFJHYDBYIEAFP-KXBFYZLASA-N 1 1 403.506 0.904 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000495653990 1077857310 /nfs/dbraw/zinc/85/73/10/1077857310.db2.gz JZYWIIMWFMZKSY-GFCCVEGCSA-N 1 1 416.320 0.101 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000495653991 1077857272 /nfs/dbraw/zinc/85/72/72/1077857272.db2.gz JZYWIIMWFMZKSY-LBPRGKRZSA-N 1 1 416.320 0.101 20 0 HCADMO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)CN1CC[NH+](C)CC1 ZINC000495654083 1077857491 /nfs/dbraw/zinc/85/74/91/1077857491.db2.gz KRFKECPFUSYPIT-INIZCTEOSA-N 1 1 408.568 0.988 20 0 HCADMO C[C@H](CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)CN1CC[NH+](C)CC1 ZINC000495654086 1077857452 /nfs/dbraw/zinc/85/74/52/1077857452.db2.gz KRFKECPFUSYPIT-MRXNPFEDSA-N 1 1 408.568 0.988 20 0 HCADMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000495655645 1077858499 /nfs/dbraw/zinc/85/84/99/1077858499.db2.gz OIKBLEZYEBTSER-BEFAXECRSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000495655646 1077858513 /nfs/dbraw/zinc/85/85/13/1077858513.db2.gz OIKBLEZYEBTSER-DNVCBOLYSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000495655647 1077858687 /nfs/dbraw/zinc/85/86/87/1077858687.db2.gz OIKBLEZYEBTSER-HNAYVOBHSA-N 1 1 403.506 0.904 20 0 HCADMO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000495655648 1077858672 /nfs/dbraw/zinc/85/86/72/1077858672.db2.gz OIKBLEZYEBTSER-KXBFYZLASA-N 1 1 403.506 0.904 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000495658654 1077858247 /nfs/dbraw/zinc/85/82/47/1077858247.db2.gz ZBLFIXNPMOBPHG-HNNXBMFYSA-N 1 1 423.539 0.836 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000495658655 1077858285 /nfs/dbraw/zinc/85/82/85/1077858285.db2.gz ZBLFIXNPMOBPHG-OAHLLOKOSA-N 1 1 423.539 0.836 20 0 HCADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000495658666 1077858238 /nfs/dbraw/zinc/85/82/38/1077858238.db2.gz ZGEROPVTHCBKPY-INIZCTEOSA-N 1 1 412.556 0.225 20 0 HCADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000495658667 1077858278 /nfs/dbraw/zinc/85/82/78/1077858278.db2.gz ZGEROPVTHCBKPY-MRXNPFEDSA-N 1 1 412.556 0.225 20 0 HCADMO CCN1CC[NH+](CCC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000495673961 1077860491 /nfs/dbraw/zinc/86/04/91/1077860491.db2.gz XKGUAXVONMGGJB-UHFFFAOYSA-N 1 1 410.540 0.212 20 0 HCADMO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000495680707 1077861830 /nfs/dbraw/zinc/86/18/30/1077861830.db2.gz BRZDCZUXHDFQEO-CVEARBPZSA-N 1 1 413.565 0.666 20 0 HCADMO CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000495680708 1077861760 /nfs/dbraw/zinc/86/17/60/1077861760.db2.gz BRZDCZUXHDFQEO-HOTGVXAUSA-N 1 1 413.565 0.666 20 0 HCADMO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C[C@H]1[NH+](C)C ZINC000495680709 1077861811 /nfs/dbraw/zinc/86/18/11/1077861811.db2.gz BRZDCZUXHDFQEO-HZPDHXFCSA-N 1 1 413.565 0.666 20 0 HCADMO CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000495680710 1077861806 /nfs/dbraw/zinc/86/18/06/1077861806.db2.gz BRZDCZUXHDFQEO-JKSUJKDBSA-N 1 1 413.565 0.666 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000495682756 1077862436 /nfs/dbraw/zinc/86/24/36/1077862436.db2.gz TWFFBCDYJADTGM-MSOLQXFVSA-N 1 1 402.605 0.971 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000495682757 1077862374 /nfs/dbraw/zinc/86/23/74/1077862374.db2.gz TWFFBCDYJADTGM-QZTJIDSGSA-N 1 1 402.605 0.971 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000495682758 1077862409 /nfs/dbraw/zinc/86/24/09/1077862409.db2.gz TWFFBCDYJADTGM-ROUUACIJSA-N 1 1 402.605 0.971 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000495682759 1077862590 /nfs/dbraw/zinc/86/25/90/1077862590.db2.gz TWFFBCDYJADTGM-ZWKOTPCHSA-N 1 1 402.605 0.971 20 0 HCADMO COc1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682791 1077862329 /nfs/dbraw/zinc/86/23/29/1077862329.db2.gz URRVHAVCOHNPMY-HNNXBMFYSA-N 1 1 412.556 0.559 20 0 HCADMO COc1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1S(=O)(=O)N(C)C ZINC000495682792 1077862354 /nfs/dbraw/zinc/86/23/54/1077862354.db2.gz URRVHAVCOHNPMY-OAHLLOKOSA-N 1 1 412.556 0.559 20 0 HCADMO C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC000495695366 1077864703 /nfs/dbraw/zinc/86/47/03/1077864703.db2.gz CACOVNUHYQLPBG-CABCVRRESA-N 1 1 400.520 0.492 20 0 HCADMO C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC000495695367 1077864749 /nfs/dbraw/zinc/86/47/49/1077864749.db2.gz CACOVNUHYQLPBG-GJZGRUSLSA-N 1 1 400.520 0.492 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696648 1077864692 /nfs/dbraw/zinc/86/46/92/1077864692.db2.gz MFXGUBVYKCWHPH-HNNXBMFYSA-N 1 1 412.556 0.607 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)CC1 ZINC000495696649 1077864757 /nfs/dbraw/zinc/86/47/57/1077864757.db2.gz MFXGUBVYKCWHPH-OAHLLOKOSA-N 1 1 412.556 0.607 20 0 HCADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C2)cc1 ZINC000495697844 1077864912 /nfs/dbraw/zinc/86/49/12/1077864912.db2.gz ZNDVNKYNBIARSI-IBGZPJMESA-N 1 1 423.535 0.828 20 0 HCADMO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C2)cc1 ZINC000495697845 1077864940 /nfs/dbraw/zinc/86/49/40/1077864940.db2.gz ZNDVNKYNBIARSI-LJQANCHMSA-N 1 1 423.535 0.828 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711976 1077867816 /nfs/dbraw/zinc/86/78/16/1077867816.db2.gz IMPBWMGVUFCZQB-BATSVXPKSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000495711977 1077867837 /nfs/dbraw/zinc/86/78/37/1077867837.db2.gz IMPBWMGVUFCZQB-BQIYRTECSA-N 1 1 407.559 0.877 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[N@H+](C)CC2)cc1C ZINC000495730163 1077872175 /nfs/dbraw/zinc/87/21/75/1077872175.db2.gz UDKHMVHISAVTQO-KRWDZBQOSA-N 1 1 410.540 0.380 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC[N@H+](C)CC2)cc1C ZINC000495730164 1077872183 /nfs/dbraw/zinc/87/21/83/1077872183.db2.gz UDKHMVHISAVTQO-QGZVFWFLSA-N 1 1 410.540 0.380 20 0 HCADMO COC[C@H](NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccco1 ZINC000495746718 1077875755 /nfs/dbraw/zinc/87/57/55/1077875755.db2.gz XCHXVXHTMZHRCU-KRWDZBQOSA-N 1 1 420.510 0.486 20 0 HCADMO 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COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000496033138 1077970567 /nfs/dbraw/zinc/97/05/67/1077970567.db2.gz LWTRUHSTGLDHSP-CZUORRHYSA-N 1 1 402.451 0.081 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000496033139 1077970309 /nfs/dbraw/zinc/97/03/09/1077970309.db2.gz LWTRUHSTGLDHSP-XJKSGUPXSA-N 1 1 402.451 0.081 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000496033322 1077970543 /nfs/dbraw/zinc/97/05/43/1077970543.db2.gz NFYZFHJBLIFKBD-PBHICJAKSA-N 1 1 408.524 0.864 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000496033323 1077970389 /nfs/dbraw/zinc/97/03/89/1077970389.db2.gz NFYZFHJBLIFKBD-RHSMWYFYSA-N 1 1 408.524 0.864 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000496033324 1077970272 /nfs/dbraw/zinc/97/02/72/1077970272.db2.gz NFYZFHJBLIFKBD-WMLDXEAASA-N 1 1 408.524 0.864 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000496033325 1077969873 /nfs/dbraw/zinc/96/98/73/1077969873.db2.gz NFYZFHJBLIFKBD-YOEHRIQHSA-N 1 1 408.524 0.864 20 0 HCADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000496034218 1077973722 /nfs/dbraw/zinc/97/37/22/1077973722.db2.gz QYOVEYKSZFBKLK-DOMZBBRYSA-N 1 1 401.496 0.875 20 0 HCADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000496034219 1077973565 /nfs/dbraw/zinc/97/35/65/1077973565.db2.gz QYOVEYKSZFBKLK-IUODEOHRSA-N 1 1 401.496 0.875 20 0 HCADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000496034220 1077973738 /nfs/dbraw/zinc/97/37/38/1077973738.db2.gz QYOVEYKSZFBKLK-SWLSCSKDSA-N 1 1 401.496 0.875 20 0 HCADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000496034221 1077973584 /nfs/dbraw/zinc/97/35/84/1077973584.db2.gz QYOVEYKSZFBKLK-WFASDCNBSA-N 1 1 401.496 0.875 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034540 1077974165 /nfs/dbraw/zinc/97/41/65/1077974165.db2.gz SJTBHSYRQTUDCA-CRAIPNDOSA-N 1 1 420.535 0.962 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@@H]2C1 ZINC000496034541 1077974555 /nfs/dbraw/zinc/97/45/55/1077974555.db2.gz SJTBHSYRQTUDCA-MAUKXSAKSA-N 1 1 420.535 0.962 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034542 1077974224 /nfs/dbraw/zinc/97/42/24/1077974224.db2.gz SJTBHSYRQTUDCA-QAPCUYQASA-N 1 1 420.535 0.962 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)[C@H]2C1 ZINC000496034543 1077974085 /nfs/dbraw/zinc/97/40/85/1077974085.db2.gz SJTBHSYRQTUDCA-YJBOKZPZSA-N 1 1 420.535 0.962 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034710 1077973754 /nfs/dbraw/zinc/97/37/54/1077973754.db2.gz SXOUNQPMRDSQNI-CXAGYDPISA-N 1 1 424.498 0.857 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034711 1077973542 /nfs/dbraw/zinc/97/35/42/1077973542.db2.gz SXOUNQPMRDSQNI-DYVFJYSZSA-N 1 1 424.498 0.857 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@H]2C1 ZINC000496034712 1077974205 /nfs/dbraw/zinc/97/42/05/1077974205.db2.gz SXOUNQPMRDSQNI-GUYCJALGSA-N 1 1 424.498 0.857 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)[C@@H]2C1 ZINC000496034713 1077974466 /nfs/dbraw/zinc/97/44/66/1077974466.db2.gz SXOUNQPMRDSQNI-SUMWQHHRSA-N 1 1 424.498 0.857 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035147 1077973696 /nfs/dbraw/zinc/97/36/96/1077973696.db2.gz VXYXVORNIJROEK-DOTOQJQBSA-N 1 1 402.495 0.953 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035148 1077973463 /nfs/dbraw/zinc/97/34/63/1077973463.db2.gz VXYXVORNIJROEK-NVXWUHKLSA-N 1 1 402.495 0.953 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035149 1077973599 /nfs/dbraw/zinc/97/35/99/1077973599.db2.gz VXYXVORNIJROEK-RDJZCZTQSA-N 1 1 402.495 0.953 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(OCC(=O)N(C)C)c1 ZINC000496035150 1077973650 /nfs/dbraw/zinc/97/36/50/1077973650.db2.gz VXYXVORNIJROEK-WBVHZDCISA-N 1 1 402.495 0.953 20 0 HCADMO CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)[C@H]2C1 ZINC000496035843 1077974295 /nfs/dbraw/zinc/97/42/95/1077974295.db2.gz ZHCAYDXCLFKPHE-PBHICJAKSA-N 1 1 415.494 0.647 20 0 HCADMO CN1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)[C@@H]2C1 ZINC000496035844 1077974351 /nfs/dbraw/zinc/97/43/51/1077974351.db2.gz ZHCAYDXCLFKPHE-RHSMWYFYSA-N 1 1 415.494 0.647 20 0 HCADMO CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)[C@@H]2C1 ZINC000496035845 1077974057 /nfs/dbraw/zinc/97/40/57/1077974057.db2.gz ZHCAYDXCLFKPHE-WMLDXEAASA-N 1 1 415.494 0.647 20 0 HCADMO CN1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)[C@H]2C1 ZINC000496035846 1077974157 /nfs/dbraw/zinc/97/41/57/1077974157.db2.gz ZHCAYDXCLFKPHE-YOEHRIQHSA-N 1 1 415.494 0.647 20 0 HCADMO CN1CC[NH+](CCCNC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000496046514 1077974831 /nfs/dbraw/zinc/97/48/31/1077974831.db2.gz NAOAAJUQSJYFHS-UHFFFAOYSA-N 1 1 400.570 0.900 20 0 HCADMO CN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048969 1077975479 /nfs/dbraw/zinc/97/54/79/1077975479.db2.gz UEVGHWNGYRJMOP-INIZCTEOSA-N 1 1 402.495 0.564 20 0 HCADMO CN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000496048974 1077975575 /nfs/dbraw/zinc/97/55/75/1077975575.db2.gz UEVGHWNGYRJMOP-MRXNPFEDSA-N 1 1 402.495 0.564 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049521 1077975313 /nfs/dbraw/zinc/97/53/13/1077975313.db2.gz BXOGRTPOQQEQJA-CRAIPNDOSA-N 1 1 400.479 0.650 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@@H]2C1 ZINC000496049522 1077975865 /nfs/dbraw/zinc/97/58/65/1077975865.db2.gz BXOGRTPOQQEQJA-MAUKXSAKSA-N 1 1 400.479 0.650 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049523 1077976099 /nfs/dbraw/zinc/97/60/99/1077976099.db2.gz BXOGRTPOQQEQJA-QAPCUYQASA-N 1 1 400.479 0.650 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)[C@H]2C1 ZINC000496049524 1077976155 /nfs/dbraw/zinc/97/61/55/1077976155.db2.gz BXOGRTPOQQEQJA-YJBOKZPZSA-N 1 1 400.479 0.650 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050079 1077976022 /nfs/dbraw/zinc/97/60/22/1077976022.db2.gz CNGYJQURUXPEGX-APWZRJJASA-N 1 1 414.506 0.959 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050080 1077975805 /nfs/dbraw/zinc/97/58/05/1077975805.db2.gz CNGYJQURUXPEGX-LPHOPBHVSA-N 1 1 414.506 0.959 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050081 1077976187 /nfs/dbraw/zinc/97/61/87/1077976187.db2.gz CNGYJQURUXPEGX-QFBILLFUSA-N 1 1 414.506 0.959 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1C(=O)N1CCOCC1 ZINC000496050082 1077976263 /nfs/dbraw/zinc/97/62/63/1077976263.db2.gz CNGYJQURUXPEGX-VQIMIIECSA-N 1 1 414.506 0.959 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050975 1077976529 /nfs/dbraw/zinc/97/65/29/1077976529.db2.gz FQRDLGTYIYVEJO-DZGCQCFKSA-N 1 1 424.523 0.437 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050977 1077976720 /nfs/dbraw/zinc/97/67/20/1077976720.db2.gz FQRDLGTYIYVEJO-HIFRSBDPSA-N 1 1 424.523 0.437 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050979 1077976812 /nfs/dbraw/zinc/97/68/12/1077976812.db2.gz FQRDLGTYIYVEJO-UKRRQHHQSA-N 1 1 424.523 0.437 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1S(=O)(=O)N(C)C ZINC000496050982 1077976593 /nfs/dbraw/zinc/97/65/93/1077976593.db2.gz FQRDLGTYIYVEJO-ZFWWWQNUSA-N 1 1 424.523 0.437 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1NS(C)(=O)=O ZINC000496056658 1077979050 /nfs/dbraw/zinc/97/90/50/1077979050.db2.gz VGMMERHIVHEOGS-DOMZBBRYSA-N 1 1 410.496 0.558 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1NS(C)(=O)=O ZINC000496056659 1077979470 /nfs/dbraw/zinc/97/94/70/1077979470.db2.gz VGMMERHIVHEOGS-IUODEOHRSA-N 1 1 410.496 0.558 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1NS(C)(=O)=O ZINC000496056660 1077979115 /nfs/dbraw/zinc/97/91/15/1077979115.db2.gz VGMMERHIVHEOGS-SWLSCSKDSA-N 1 1 410.496 0.558 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1NS(C)(=O)=O ZINC000496056661 1077979543 /nfs/dbraw/zinc/97/95/43/1077979543.db2.gz VGMMERHIVHEOGS-WFASDCNBSA-N 1 1 410.496 0.558 20 0 HCADMO 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C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@H]2C1 ZINC000496057008 1077979091 /nfs/dbraw/zinc/97/90/91/1077979091.db2.gz WZVADNWJWXWQSL-LRDDRELGSA-N 1 1 424.498 0.758 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@@H]2C1 ZINC000496057009 1077979528 /nfs/dbraw/zinc/97/95/28/1077979528.db2.gz WZVADNWJWXWQSL-MLGOLLRUSA-N 1 1 424.498 0.758 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)[C@H]2C1 ZINC000496057010 1077979408 /nfs/dbraw/zinc/97/94/08/1077979408.db2.gz WZVADNWJWXWQSL-WBMJQRKESA-N 1 1 424.498 0.758 20 0 HCADMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000496060031 1077980068 /nfs/dbraw/zinc/98/00/68/1077980068.db2.gz HCUCFLIMANXNSA-KRWDZBQOSA-N 1 1 402.495 0.774 20 0 HCADMO CN1CC[NH+](CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000496060032 1077980190 /nfs/dbraw/zinc/98/01/90/1077980190.db2.gz HCUCFLIMANXNSA-QGZVFWFLSA-N 1 1 402.495 0.774 20 0 HCADMO 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COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000496073163 1077983346 /nfs/dbraw/zinc/98/33/46/1077983346.db2.gz PZXKFBILJAASMM-QAPCUYQASA-N 1 1 423.535 0.988 20 0 HCADMO COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000496073164 1077983439 /nfs/dbraw/zinc/98/34/39/1077983439.db2.gz PZXKFBILJAASMM-YJBOKZPZSA-N 1 1 423.535 0.988 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1NS(C)(=O)=O ZINC000496073861 1077983839 /nfs/dbraw/zinc/98/38/39/1077983839.db2.gz SHKWICKMGSDXQA-DOMZBBRYSA-N 1 1 410.496 0.558 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1NS(C)(=O)=O ZINC000496073862 1077984050 /nfs/dbraw/zinc/98/40/50/1077984050.db2.gz SHKWICKMGSDXQA-IUODEOHRSA-N 1 1 410.496 0.558 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1NS(C)(=O)=O ZINC000496073863 1077983620 /nfs/dbraw/zinc/98/36/20/1077983620.db2.gz SHKWICKMGSDXQA-SWLSCSKDSA-N 1 1 410.496 0.558 20 0 HCADMO 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CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000496134432 1078016104 /nfs/dbraw/zinc/01/61/04/1078016104.db2.gz LWLXDLZMNUNUOI-SFHVURJKSA-N 1 1 414.547 0.882 20 0 HCADMO CN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000496135079 1078019619 /nfs/dbraw/zinc/01/96/19/1078019619.db2.gz RZYYBEYXCNUWLO-UHFFFAOYSA-N 1 1 415.585 0.120 20 0 HCADMO COc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000496135104 1078019591 /nfs/dbraw/zinc/01/95/91/1078019591.db2.gz SMXPPJXPJYTPLB-UHFFFAOYSA-N 1 1 410.540 0.503 20 0 HCADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000496135125 1078019944 /nfs/dbraw/zinc/01/99/44/1078019944.db2.gz UEHDIPDBVHPUIS-UHFFFAOYSA-N 1 1 412.556 0.287 20 0 HCADMO CN1CC(=O)N(CC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)C1=O ZINC000496149478 1078053210 /nfs/dbraw/zinc/05/32/10/1078053210.db2.gz AIZBGSOMHGEYJG-UHFFFAOYSA-N 1 1 421.429 0.319 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000496150461 1078053337 /nfs/dbraw/zinc/05/33/37/1078053337.db2.gz HVNCZWIVLIHSSR-IBGZPJMESA-N 1 1 408.568 0.902 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496150997 1078053309 /nfs/dbraw/zinc/05/33/09/1078053309.db2.gz UGVAJDNNPOAHOT-PBHICJAKSA-N 1 1 420.535 0.927 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496150999 1078053255 /nfs/dbraw/zinc/05/32/55/1078053255.db2.gz UGVAJDNNPOAHOT-RHSMWYFYSA-N 1 1 420.535 0.927 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496151001 1078053589 /nfs/dbraw/zinc/05/35/89/1078053589.db2.gz UGVAJDNNPOAHOT-WMLDXEAASA-N 1 1 420.535 0.927 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1S(=O)(=O)NC1CC1 ZINC000496151002 1078053575 /nfs/dbraw/zinc/05/35/75/1078053575.db2.gz UGVAJDNNPOAHOT-YOEHRIQHSA-N 1 1 420.535 0.927 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000496151570 1078052946 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/nfs/dbraw/zinc/05/35/29/1078053529.db2.gz GVSREEABXWIVKR-DOTOQJQBSA-N 1 1 403.593 0.324 20 0 HCADMO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000496165484 1078053708 /nfs/dbraw/zinc/05/37/08/1078053708.db2.gz GVSREEABXWIVKR-NVXWUHKLSA-N 1 1 403.593 0.324 20 0 HCADMO CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000496165485 1078053815 /nfs/dbraw/zinc/05/38/15/1078053815.db2.gz GVSREEABXWIVKR-RDJZCZTQSA-N 1 1 403.593 0.324 20 0 HCADMO CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000496165486 1078053826 /nfs/dbraw/zinc/05/38/26/1078053826.db2.gz GVSREEABXWIVKR-WBVHZDCISA-N 1 1 403.593 0.324 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@H]2C1 ZINC000496168450 1078053773 /nfs/dbraw/zinc/05/37/73/1078053773.db2.gz LMIPMPUYYLGBLA-BEFAXECRSA-N 1 1 413.522 0.879 20 0 HCADMO C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@@H]2C1 ZINC000496168456 1078053832 /nfs/dbraw/zinc/05/38/32/1078053832.db2.gz LMIPMPUYYLGBLA-DNVCBOLYSA-N 1 1 413.522 0.879 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@@H]2C1 ZINC000496168457 1078053942 /nfs/dbraw/zinc/05/39/42/1078053942.db2.gz LMIPMPUYYLGBLA-HNAYVOBHSA-N 1 1 413.522 0.879 20 0 HCADMO C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)[C@H]2C1 ZINC000496168458 1078054031 /nfs/dbraw/zinc/05/40/31/1078054031.db2.gz LMIPMPUYYLGBLA-KXBFYZLASA-N 1 1 413.522 0.879 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000496182613 1078054486 /nfs/dbraw/zinc/05/44/86/1078054486.db2.gz FBRSTCWAWAOHIF-UHFFFAOYSA-N 1 1 409.531 0.500 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000496182613 1078054481 /nfs/dbraw/zinc/05/44/81/1078054481.db2.gz FBRSTCWAWAOHIF-UHFFFAOYSA-N 1 1 409.531 0.500 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000496183718 1078054591 /nfs/dbraw/zinc/05/45/91/1078054591.db2.gz VVAGSPJUHKJSHM-UHFFFAOYSA-N 1 1 416.588 0.451 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000496183718 1078054588 /nfs/dbraw/zinc/05/45/88/1078054588.db2.gz VVAGSPJUHKJSHM-UHFFFAOYSA-N 1 1 416.588 0.451 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000496202379 1078054765 /nfs/dbraw/zinc/05/47/65/1078054765.db2.gz FEDCARXZVQFWLP-BRWVUGGUSA-N 1 1 401.511 0.451 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000496202380 1078054697 /nfs/dbraw/zinc/05/46/97/1078054697.db2.gz FEDCARXZVQFWLP-GVDBMIGSSA-N 1 1 401.511 0.451 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000496202381 1078054967 /nfs/dbraw/zinc/05/49/67/1078054967.db2.gz FEDCARXZVQFWLP-IXDOHACOSA-N 1 1 401.511 0.451 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000496202382 1078055026 /nfs/dbraw/zinc/05/50/26/1078055026.db2.gz FEDCARXZVQFWLP-YESZJQIVSA-N 1 1 401.511 0.451 20 0 HCADMO CCN1CCN(CC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000496208939 1078055539 /nfs/dbraw/zinc/05/55/39/1078055539.db2.gz CCKNOSVZNXQSRH-GOSISDBHSA-N 1 1 401.511 0.585 20 0 HCADMO CCN1CCN(CC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)C(=O)C1=O ZINC000496208943 1078055549 /nfs/dbraw/zinc/05/55/49/1078055549.db2.gz CCKNOSVZNXQSRH-SFHVURJKSA-N 1 1 401.511 0.585 20 0 HCADMO CN(C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496221443 1078055877 /nfs/dbraw/zinc/05/58/77/1078055877.db2.gz IZTIAFKFPDCAJI-FCLJQHQZSA-N 1 1 402.561 0.742 20 0 HCADMO CN(C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496221444 1078055823 /nfs/dbraw/zinc/05/58/23/1078055823.db2.gz IZTIAFKFPDCAJI-WFVVYAPDSA-N 1 1 402.561 0.742 20 0 HCADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCO[C@@H](C(N)=O)C3)c2c1C ZINC000496224709 1078056119 /nfs/dbraw/zinc/05/61/19/1078056119.db2.gz UIPFYVKLDGKUTI-LLVKDONJSA-N 1 1 407.496 0.929 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC1(C)C ZINC000496259608 1078057525 /nfs/dbraw/zinc/05/75/25/1078057525.db2.gz ALLXAXJWBZWFGK-IBGZPJMESA-N 1 1 424.586 0.705 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC1(C)C ZINC000496259610 1078057380 /nfs/dbraw/zinc/05/73/80/1078057380.db2.gz ALLXAXJWBZWFGK-LJQANCHMSA-N 1 1 424.586 0.705 20 0 HCADMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496260244 1078057390 /nfs/dbraw/zinc/05/73/90/1078057390.db2.gz BPGMHVRTEJYLFS-GOSISDBHSA-N 1 1 422.570 0.996 20 0 HCADMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496260247 1078057290 /nfs/dbraw/zinc/05/72/90/1078057290.db2.gz BPGMHVRTEJYLFS-SFHVURJKSA-N 1 1 422.570 0.996 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN(Cc3cccc(F)c3)CC2)CC1(C)C ZINC000496260268 1078057436 /nfs/dbraw/zinc/05/74/36/1078057436.db2.gz BTQFQMSIEXLBSB-UHFFFAOYSA-N 1 1 419.545 0.612 20 0 HCADMO CN1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057422 /nfs/dbraw/zinc/05/74/22/1078057422.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 1 1 401.555 0.690 20 0 HCADMO CN1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260315 1078057418 /nfs/dbraw/zinc/05/74/18/1078057418.db2.gz BWUPIUYHIGAYIK-MOPGFXCFSA-N 1 1 401.555 0.690 20 0 HCADMO CN1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057340 /nfs/dbraw/zinc/05/73/40/1078057340.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 1 1 401.555 0.690 20 0 HCADMO CN1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000496260324 1078057335 /nfs/dbraw/zinc/05/73/35/1078057335.db2.gz BWUPIUYHIGAYIK-OALUTQOASA-N 1 1 401.555 0.690 20 0 HCADMO CN1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000496260325 1078057489 /nfs/dbraw/zinc/05/74/89/1078057489.db2.gz BWUPIUYHIGAYIK-RBUKOAKNSA-N 1 1 401.555 0.690 20 0 HCADMO 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COc1cccc([C@H]2CN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CCO2)c1 ZINC000496288030 1078061644 /nfs/dbraw/zinc/06/16/44/1078061644.db2.gz XVVVOVXYHMAHCY-LJQANCHMSA-N 1 1 418.538 0.737 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)CC1(C)C ZINC000496288128 1078061320 /nfs/dbraw/zinc/06/13/20/1078061320.db2.gz YMDIKNPPNVDHFD-GOSISDBHSA-N 1 1 412.538 0.952 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H](n3ncc4ccccc43)C2)CC1(C)C ZINC000496288129 1078061657 /nfs/dbraw/zinc/06/16/57/1078061657.db2.gz YMDIKNPPNVDHFD-SFHVURJKSA-N 1 1 412.538 0.952 20 0 HCADMO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496288135 1078061770 /nfs/dbraw/zinc/06/17/70/1078061770.db2.gz YNJUTBLTGJLPSF-KRWDZBQOSA-N 1 1 417.554 0.532 20 0 HCADMO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496288136 1078061743 /nfs/dbraw/zinc/06/17/43/1078061743.db2.gz YNJUTBLTGJLPSF-QGZVFWFLSA-N 1 1 417.554 0.532 20 0 HCADMO CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000496288172 1078061632 /nfs/dbraw/zinc/06/16/32/1078061632.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 1 1 415.582 0.862 20 0 HCADMO CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000496288172 1078061624 /nfs/dbraw/zinc/06/16/24/1078061624.db2.gz YVPXWNLGUZRKHQ-FQEVSTJZSA-N 1 1 415.582 0.862 20 0 HCADMO CN(C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000496288173 1078061733 /nfs/dbraw/zinc/06/17/33/1078061733.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 1 1 415.582 0.862 20 0 HCADMO CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000496288173 1078061730 /nfs/dbraw/zinc/06/17/30/1078061730.db2.gz YVPXWNLGUZRKHQ-HXUWFJFHSA-N 1 1 415.582 0.862 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NC(=O)COc2ccccc2)CC1 ZINC000496290980 1078061942 /nfs/dbraw/zinc/06/19/42/1078061942.db2.gz MMIWHQJUYVHABF-GOSISDBHSA-N 1 1 418.538 0.973 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NC(=O)COc2ccccc2)CC1 ZINC000496290980 1078061940 /nfs/dbraw/zinc/06/19/40/1078061940.db2.gz MMIWHQJUYVHABF-GOSISDBHSA-N 1 1 418.538 0.973 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NC(=O)COc2ccccc2)CC1 ZINC000496290982 1078061958 /nfs/dbraw/zinc/06/19/58/1078061958.db2.gz MMIWHQJUYVHABF-SFHVURJKSA-N 1 1 418.538 0.973 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NC(=O)COc2ccccc2)CC1 ZINC000496290982 1078061954 /nfs/dbraw/zinc/06/19/54/1078061954.db2.gz MMIWHQJUYVHABF-SFHVURJKSA-N 1 1 418.538 0.973 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCSC[C@H]2c2nccs2)CC1(C)C ZINC000496301515 1078062263 /nfs/dbraw/zinc/06/22/63/1078062263.db2.gz CUEUWHPKUMYHKO-AWEZNQCLSA-N 1 1 411.597 0.902 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1(C)C ZINC000496301520 1078062212 /nfs/dbraw/zinc/06/22/12/1078062212.db2.gz CUEUWHPKUMYHKO-CQSZACIVSA-N 1 1 411.597 0.902 20 0 HCADMO Cn1c(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)nc2cccc(Cl)c21 ZINC000496302925 1078061440 /nfs/dbraw/zinc/06/14/40/1078061440.db2.gz FNTYYSLEXNRULB-UHFFFAOYSA-N 1 1 420.945 0.985 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)CC1(C)C ZINC000496304719 1078061377 /nfs/dbraw/zinc/06/13/77/1078061377.db2.gz GTQTXRRNALOHTL-UHFFFAOYSA-N 1 1 410.522 0.902 20 0 HCADMO CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496304746 1078061363 /nfs/dbraw/zinc/06/13/63/1078061363.db2.gz GUZPZXDJFSQILJ-UHFFFAOYSA-N 1 1 420.539 0.498 20 0 HCADMO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496306152 1078061419 /nfs/dbraw/zinc/06/14/19/1078061419.db2.gz IAPUJRVQCKKYNF-KRWDZBQOSA-N 1 1 420.558 0.079 20 0 HCADMO Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496306166 1078061349 /nfs/dbraw/zinc/06/13/49/1078061349.db2.gz IAPUJRVQCKKYNF-QGZVFWFLSA-N 1 1 420.558 0.079 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@@H](CCc3ccccc3)C2)CC1(C)C ZINC000496311476 1078062872 /nfs/dbraw/zinc/06/28/72/1078062872.db2.gz MVAFAVJVLPYHOW-FQEVSTJZSA-N 1 1 416.566 0.989 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@H](CCc3ccccc3)C2)CC1(C)C ZINC000496311487 1078063057 /nfs/dbraw/zinc/06/30/57/1078063057.db2.gz MVAFAVJVLPYHOW-HXUWFJFHSA-N 1 1 416.566 0.989 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1(C)C ZINC000496311564 1078063066 /nfs/dbraw/zinc/06/30/66/1078063066.db2.gz MZMOHTOKEYKDDG-UHFFFAOYSA-N 1 1 400.445 0.905 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCc3c(ncn3-c3ccccc3)C2)CC1(C)C ZINC000496312552 1078063080 /nfs/dbraw/zinc/06/30/80/1078063080.db2.gz OBIITBISWWFXAW-UHFFFAOYSA-N 1 1 424.549 0.899 20 0 HCADMO C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496312912 1078063042 /nfs/dbraw/zinc/06/30/42/1078063042.db2.gz OTUPFBZCUJHUCX-INIZCTEOSA-N 1 1 422.599 0.491 20 0 HCADMO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496312914 1078062891 /nfs/dbraw/zinc/06/28/91/1078062891.db2.gz OTUPFBZCUJHUCX-MRXNPFEDSA-N 1 1 422.599 0.491 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)CC1(C)C ZINC000496313698 1078062921 /nfs/dbraw/zinc/06/29/21/1078062921.db2.gz PNJYBIKNBQDEFB-UHFFFAOYSA-N 1 1 417.558 0.078 20 0 HCADMO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000496314409 1078063022 /nfs/dbraw/zinc/06/30/22/1078063022.db2.gz QBZXSKUQYSQQHI-KRWDZBQOSA-N 1 1 420.558 0.165 20 0 HCADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)CCC2 ZINC000496314415 1078062940 /nfs/dbraw/zinc/06/29/40/1078062940.db2.gz QBZXSKUQYSQQHI-QGZVFWFLSA-N 1 1 420.558 0.165 20 0 HCADMO Cc1csc([C@@H]2COCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000496316698 1078062810 /nfs/dbraw/zinc/06/28/10/1078062810.db2.gz XPSZMTUGACGRFW-HNNXBMFYSA-N 1 1 409.556 0.494 20 0 HCADMO Cc1csc([C@H]2COCCN2C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000496316700 1078062984 /nfs/dbraw/zinc/06/29/84/1078062984.db2.gz XPSZMTUGACGRFW-OAHLLOKOSA-N 1 1 409.556 0.494 20 0 HCADMO Cc1csc(NC2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC000496316826 1078063257 /nfs/dbraw/zinc/06/32/57/1078063257.db2.gz XSKAZNNQWQDYGF-UHFFFAOYSA-N 1 1 422.599 0.997 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000496317030 1078063368 /nfs/dbraw/zinc/06/33/68/1078063368.db2.gz ZMDSZRAYOQTQDY-UHFFFAOYSA-N 1 1 400.527 0.374 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1(C)C ZINC000496317068 1078063332 /nfs/dbraw/zinc/06/33/32/1078063332.db2.gz ZXAJAOXMZRNRPQ-JOCHJYFZSA-N 1 1 400.523 0.787 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1(C)C ZINC000496317069 1078063174 /nfs/dbraw/zinc/06/31/74/1078063174.db2.gz ZXAJAOXMZRNRPQ-QFIPXVFZSA-N 1 1 400.523 0.787 20 0 HCADMO Cn1cc([C@@H]2CSCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000496317707 1078063313 /nfs/dbraw/zinc/06/33/13/1078063313.db2.gz ASVWMRFATKDDRX-INIZCTEOSA-N 1 1 408.572 0.179 20 0 HCADMO Cn1cc([C@H]2CSCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000496317708 1078063228 /nfs/dbraw/zinc/06/32/28/1078063228.db2.gz ASVWMRFATKDDRX-MRXNPFEDSA-N 1 1 408.572 0.179 20 0 HCADMO CC[C@@H](CO)N(Cc1ccccc1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496320596 1078063281 /nfs/dbraw/zinc/06/32/81/1078063281.db2.gz DJTXJQXLMBZWFB-IBGZPJMESA-N 1 1 404.555 0.928 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1(C)C ZINC000496322043 1078063491 /nfs/dbraw/zinc/06/34/91/1078063491.db2.gz FRQHSJJCDXDMDT-IBGZPJMESA-N 1 1 418.538 0.435 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1(C)C ZINC000496322044 1078063503 /nfs/dbraw/zinc/06/35/03/1078063503.db2.gz FRQHSJJCDXDMDT-LJQANCHMSA-N 1 1 418.538 0.435 20 0 HCADMO Cn1c(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)nc2cc(Cl)ccc21 ZINC000496322982 1078063513 /nfs/dbraw/zinc/06/35/13/1078063513.db2.gz HHWBJOJAQFKYDP-UHFFFAOYSA-N 1 1 420.945 0.985 20 0 HCADMO CCn1nccc1C1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000496323315 1078063557 /nfs/dbraw/zinc/06/35/57/1078063557.db2.gz HXHJLTGTFYFKFN-UHFFFAOYSA-N 1 1 404.559 0.751 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCc2cc(COC(C)(C)C)on2)CC1(C)C ZINC000496324204 1078063635 /nfs/dbraw/zinc/06/36/35/1078063635.db2.gz IMEMKLQPFAQIAK-UHFFFAOYSA-N 1 1 409.531 0.748 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC000496325104 1078063816 /nfs/dbraw/zinc/06/38/16/1078063816.db2.gz JIWOYGLBRCIZDN-SJORKVTESA-N 1 1 407.559 0.036 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1(C)C ZINC000496327387 1078063792 /nfs/dbraw/zinc/06/37/92/1078063792.db2.gz LMMLWLUIFCTLIV-INIZCTEOSA-N 1 1 421.517 0.733 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC1(C)C ZINC000496327395 1078063920 /nfs/dbraw/zinc/06/39/20/1078063920.db2.gz LMMLWLUIFCTLIV-MRXNPFEDSA-N 1 1 421.517 0.733 20 0 HCADMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000496327471 1078063844 /nfs/dbraw/zinc/06/38/44/1078063844.db2.gz 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C[N@H+]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497418543 1078237148 /nfs/dbraw/zinc/23/71/48/1078237148.db2.gz QTURTPBOTYTPLT-IAGOWNOFSA-N 1 1 402.476 0.487 20 0 HCADMO C[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000497418544 1078237297 /nfs/dbraw/zinc/23/72/97/1078237297.db2.gz QTURTPBOTYTPLT-IRXDYDNUSA-N 1 1 402.476 0.487 20 0 HCADMO C[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000497418545 1078237391 /nfs/dbraw/zinc/23/73/91/1078237391.db2.gz QTURTPBOTYTPLT-SJORKVTESA-N 1 1 402.476 0.487 20 0 HCADMO C[N@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@H](c2ccccc2)C1 ZINC000497418717 1078236625 /nfs/dbraw/zinc/23/66/25/1078236625.db2.gz SBKKNIYBPYDXAZ-HKUYNNGSSA-N 1 1 418.519 0.863 20 0 HCADMO C[N@H+]1C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000497418723 1078236834 /nfs/dbraw/zinc/23/68/34/1078236834.db2.gz SBKKNIYBPYDXAZ-IEBWSBKVSA-N 1 1 418.519 0.863 20 0 HCADMO C[N@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000497418725 1078236597 /nfs/dbraw/zinc/23/65/97/1078236597.db2.gz SBKKNIYBPYDXAZ-MJGOQNOKSA-N 1 1 418.519 0.863 20 0 HCADMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1 ZINC000497418727 1078236890 /nfs/dbraw/zinc/23/68/90/1078236890.db2.gz SBKKNIYBPYDXAZ-PKOBYXMFSA-N 1 1 418.519 0.863 20 0 HCADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420173 1078237535 /nfs/dbraw/zinc/23/75/35/1078237535.db2.gz XJEPKMUYQISBQX-DLBZAZTESA-N 1 1 407.474 0.768 20 0 HCADMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420174 1078237572 /nfs/dbraw/zinc/23/75/72/1078237572.db2.gz XJEPKMUYQISBQX-IAGOWNOFSA-N 1 1 407.474 0.768 20 0 HCADMO Cc1c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497420175 1078237720 /nfs/dbraw/zinc/23/77/20/1078237720.db2.gz XJEPKMUYQISBQX-IRXDYDNUSA-N 1 1 407.474 0.768 20 0 HCADMO 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CC[N@H+]1CCO[C@H](C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000497423514 1078238478 /nfs/dbraw/zinc/23/84/78/1078238478.db2.gz DEPXVMGQQGYHEY-IBGZPJMESA-N 1 1 424.567 0.138 20 0 HCADMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000497423514 1078238463 /nfs/dbraw/zinc/23/84/63/1078238463.db2.gz DEPXVMGQQGYHEY-IBGZPJMESA-N 1 1 424.567 0.138 20 0 HCADMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000497423515 1078238631 /nfs/dbraw/zinc/23/86/31/1078238631.db2.gz DEPXVMGQQGYHEY-LJQANCHMSA-N 1 1 424.567 0.138 20 0 HCADMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1 ZINC000497423515 1078238622 /nfs/dbraw/zinc/23/86/22/1078238622.db2.gz DEPXVMGQQGYHEY-LJQANCHMSA-N 1 1 424.567 0.138 20 0 HCADMO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1COC[C@H]1n1ccnn1)CC2 ZINC000497425081 1078243058 /nfs/dbraw/zinc/24/30/58/1078243058.db2.gz LCRPOIWMTHPCCJ-DLBZAZTESA-N 1 1 416.482 0.593 20 0 HCADMO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1COC[C@H]1n1ccnn1)CC2 ZINC000497425081 1078243050 /nfs/dbraw/zinc/24/30/50/1078243050.db2.gz LCRPOIWMTHPCCJ-DLBZAZTESA-N 1 1 416.482 0.593 20 0 HCADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1C ZINC000497431004 1078240315 /nfs/dbraw/zinc/24/03/15/1078240315.db2.gz RKGZLBATYVUCRH-DLBZAZTESA-N 1 1 405.524 0.611 20 0 HCADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1C ZINC000497431016 1078240156 /nfs/dbraw/zinc/24/01/56/1078240156.db2.gz RKGZLBATYVUCRH-IAGOWNOFSA-N 1 1 405.524 0.611 20 0 HCADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1C ZINC000497431019 1078240251 /nfs/dbraw/zinc/24/02/51/1078240251.db2.gz RKGZLBATYVUCRH-IRXDYDNUSA-N 1 1 405.524 0.611 20 0 HCADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cn1C ZINC000497431021 1078240237 /nfs/dbraw/zinc/24/02/37/1078240237.db2.gz RKGZLBATYVUCRH-SJORKVTESA-N 1 1 405.524 0.611 20 0 HCADMO CN(CC(=O)NCc1cccs1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000497433986 1078241373 /nfs/dbraw/zinc/24/13/73/1078241373.db2.gz GJGWMWLWDCSFPA-KRWDZBQOSA-N 1 1 422.551 0.536 20 0 HCADMO CN(CC(=O)NCc1cccs1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000497433998 1078241447 /nfs/dbraw/zinc/24/14/47/1078241447.db2.gz GJGWMWLWDCSFPA-QGZVFWFLSA-N 1 1 422.551 0.536 20 0 HCADMO CC1CCN(C(=O)C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000497444388 1078245577 /nfs/dbraw/zinc/24/55/77/1078245577.db2.gz QCBPVCOFQITAJZ-UHFFFAOYSA-N 1 1 416.588 0.355 20 0 HCADMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444922 1078245847 /nfs/dbraw/zinc/24/58/47/1078245847.db2.gz RQGPUWDOSGJGGD-DOTOQJQBSA-N 1 1 424.567 0.619 20 0 HCADMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444923 1078245938 /nfs/dbraw/zinc/24/59/38/1078245938.db2.gz RQGPUWDOSGJGGD-NVXWUHKLSA-N 1 1 424.567 0.619 20 0 HCADMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444924 1078245992 /nfs/dbraw/zinc/24/59/92/1078245992.db2.gz RQGPUWDOSGJGGD-RDJZCZTQSA-N 1 1 424.567 0.619 20 0 HCADMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000497444925 1078245778 /nfs/dbraw/zinc/24/57/78/1078245778.db2.gz RQGPUWDOSGJGGD-WBVHZDCISA-N 1 1 424.567 0.619 20 0 HCADMO COc1cc2c(cc1OC)CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2 ZINC000497448324 1078247022 /nfs/dbraw/zinc/24/70/22/1078247022.db2.gz WEKYJSUHALBAHY-UHFFFAOYSA-N 1 1 413.540 0.502 20 0 HCADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000497456775 1078249244 /nfs/dbraw/zinc/24/92/44/1078249244.db2.gz ZIZOAMXPWIFFGD-GOSISDBHSA-N 1 1 409.575 0.419 20 0 HCADMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497458146 1078253184 /nfs/dbraw/zinc/25/31/84/1078253184.db2.gz FNEKHLBPWPOMHD-KRWDZBQOSA-N 1 1 412.556 0.973 20 0 HCADMO 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Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497739098 1078315302 /nfs/dbraw/zinc/31/53/02/1078315302.db2.gz YZITXBYDYXAETN-SCRDCRAPSA-N 1 1 416.544 0.962 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCC[N@@H+](C)C(C)C)c1 ZINC000497739332 1078315831 /nfs/dbraw/zinc/31/58/31/1078315831.db2.gz AOXIIXLPSGTNSR-UHFFFAOYSA-N 1 1 400.545 0.725 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000497739845 1078315640 /nfs/dbraw/zinc/31/56/40/1078315640.db2.gz JAHYJNRSKZIYDP-AWEZNQCLSA-N 1 1 416.478 0.137 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000497739846 1078315840 /nfs/dbraw/zinc/31/58/40/1078315840.db2.gz JAHYJNRSKZIYDP-CQSZACIVSA-N 1 1 416.478 0.137 20 0 HCADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497739864 1078315793 /nfs/dbraw/zinc/31/57/93/1078315793.db2.gz JFEUTOGBRLGGOD-KRWDZBQOSA-N 1 1 400.479 0.925 20 0 HCADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cn(CCO)c(=O)[nH]c1=O ZINC000497739866 1078315906 /nfs/dbraw/zinc/31/59/06/1078315906.db2.gz JFEUTOGBRLGGOD-QGZVFWFLSA-N 1 1 400.479 0.925 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000497741610 1078316064 /nfs/dbraw/zinc/31/60/64/1078316064.db2.gz IQFUYKGULRIDCA-GOSISDBHSA-N 1 1 422.551 0.556 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000497741611 1078316012 /nfs/dbraw/zinc/31/60/12/1078316012.db2.gz IQFUYKGULRIDCA-SFHVURJKSA-N 1 1 422.551 0.556 20 0 HCADMO CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)ccc1C ZINC000497742162 1078319947 /nfs/dbraw/zinc/31/99/47/1078319947.db2.gz OINHDSKOIIMACR-UHFFFAOYSA-N 1 1 424.567 0.966 20 0 HCADMO COC(=O)CC1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000497742675 1078319878 /nfs/dbraw/zinc/31/98/78/1078319878.db2.gz ULJIXUBJAFJAPU-ZDUSSCGKSA-N 1 1 409.508 0.887 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000497743288 1078320235 /nfs/dbraw/zinc/32/02/35/1078320235.db2.gz GVALSJCJNYBMOP-INIZCTEOSA-N 1 1 416.478 0.347 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000497743289 1078320273 /nfs/dbraw/zinc/32/02/73/1078320273.db2.gz GVALSJCJNYBMOP-MRXNPFEDSA-N 1 1 416.478 0.347 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000497744814 1078320317 /nfs/dbraw/zinc/32/03/17/1078320317.db2.gz WICYPVLCAKUXMI-HNNXBMFYSA-N 1 1 402.495 0.683 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 ZINC000497744816 1078320114 /nfs/dbraw/zinc/32/01/14/1078320114.db2.gz WICYPVLCAKUXMI-OAHLLOKOSA-N 1 1 402.495 0.683 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497744896 1078320165 /nfs/dbraw/zinc/32/01/65/1078320165.db2.gz HRPUVAWPPIDVHV-MOPGFXCFSA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497744898 1078320220 /nfs/dbraw/zinc/32/02/20/1078320220.db2.gz HRPUVAWPPIDVHV-OALUTQOASA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497744900 1078320304 /nfs/dbraw/zinc/32/03/04/1078320304.db2.gz HRPUVAWPPIDVHV-RBUKOAKNSA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497744902 1078320145 /nfs/dbraw/zinc/32/01/45/1078320145.db2.gz HRPUVAWPPIDVHV-RTBURBONSA-N 1 1 404.511 0.018 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000497745226 1078320461 /nfs/dbraw/zinc/32/04/61/1078320461.db2.gz CQZLVZXYEFSRCH-AWEZNQCLSA-N 1 1 414.553 0.228 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000497745227 1078320521 /nfs/dbraw/zinc/32/05/21/1078320521.db2.gz CQZLVZXYEFSRCH-CQSZACIVSA-N 1 1 414.553 0.228 20 0 HCADMO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497747386 1078318046 /nfs/dbraw/zinc/31/80/46/1078318046.db2.gz GCNDSUHRYMZGGQ-DOTOQJQBSA-N 1 1 406.508 0.285 20 0 HCADMO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497747387 1078318119 /nfs/dbraw/zinc/31/81/19/1078318119.db2.gz GCNDSUHRYMZGGQ-NVXWUHKLSA-N 1 1 406.508 0.285 20 0 HCADMO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000497747388 1078318094 /nfs/dbraw/zinc/31/80/94/1078318094.db2.gz GCNDSUHRYMZGGQ-RDJZCZTQSA-N 1 1 406.508 0.285 20 0 HCADMO Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000497747389 1078318182 /nfs/dbraw/zinc/31/81/82/1078318182.db2.gz GCNDSUHRYMZGGQ-WBVHZDCISA-N 1 1 406.508 0.285 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 ZINC000497749068 1078318162 /nfs/dbraw/zinc/31/81/62/1078318162.db2.gz QTZQLLGAQJAJQJ-UHFFFAOYSA-N 1 1 422.551 0.848 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000497751177 1078318775 /nfs/dbraw/zinc/31/87/75/1078318775.db2.gz OAMYXMJIJBFECC-AWEZNQCLSA-N 1 1 418.494 0.383 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000497751179 1078318823 /nfs/dbraw/zinc/31/88/23/1078318823.db2.gz OAMYXMJIJBFECC-CQSZACIVSA-N 1 1 418.494 0.383 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000497751395 1078318550 /nfs/dbraw/zinc/31/85/50/1078318550.db2.gz WPGJDAVSFBFQRE-KBPBESRZSA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000497751404 1078318578 /nfs/dbraw/zinc/31/85/78/1078318578.db2.gz WPGJDAVSFBFQRE-KGLIPLIRSA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000497751406 1078318590 /nfs/dbraw/zinc/31/85/90/1078318590.db2.gz WPGJDAVSFBFQRE-UONOGXRCSA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1F ZINC000497751407 1078318888 /nfs/dbraw/zinc/31/88/88/1078318888.db2.gz WPGJDAVSFBFQRE-ZIAGYGMSSA-N 1 1 412.487 0.758 20 0 HCADMO Cc1nn(CCC(=O)N2CC[NH+](C)CC2)c(C)c1CCC(=O)N1CCN(C)CC1 ZINC000497751716 1078318629 /nfs/dbraw/zinc/31/86/29/1078318629.db2.gz ZETFPBJIWNETSI-UHFFFAOYSA-N 1 1 404.559 0.371 20 0 HCADMO Cc1nn(CCC(=O)N2CCN(C)CC2)c(C)c1CCC(=O)N1CC[NH+](C)CC1 ZINC000497751716 1078318621 /nfs/dbraw/zinc/31/86/21/1078318621.db2.gz ZETFPBJIWNETSI-UHFFFAOYSA-N 1 1 404.559 0.371 20 0 HCADMO O=C(CN1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1)N1CCOCC1 ZINC000497752489 1078318844 /nfs/dbraw/zinc/31/88/44/1078318844.db2.gz GMLGGFAQEWZRFN-UHFFFAOYSA-N 1 1 415.538 0.231 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000497753036 1078318808 /nfs/dbraw/zinc/31/88/08/1078318808.db2.gz KIEVSVLJLHTVML-GFCCVEGCSA-N 1 1 412.487 0.615 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1F ZINC000497753037 1078318868 /nfs/dbraw/zinc/31/88/68/1078318868.db2.gz KIEVSVLJLHTVML-LBPRGKRZSA-N 1 1 412.487 0.615 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000497753102 1078318877 /nfs/dbraw/zinc/31/88/77/1078318877.db2.gz LBXQCGGXAAQPMI-UHFFFAOYSA-N 1 1 418.491 0.099 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000497753334 1078319011 /nfs/dbraw/zinc/31/90/11/1078319011.db2.gz NFALWVBBJBMHKC-UHFFFAOYSA-N 1 1 408.430 0.502 20 0 HCADMO O=C(NCC1CC1)[C@H]1CCCN(CC(O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754272 1078319367 /nfs/dbraw/zinc/31/93/67/1078319367.db2.gz ULGXGKNRWUVEAU-PMACEKPBSA-N 1 1 420.598 0.824 20 0 HCADMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319492 /nfs/dbraw/zinc/31/94/92/1078319492.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 1 1 420.598 0.824 20 0 HCADMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319487 /nfs/dbraw/zinc/31/94/87/1078319487.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 1 1 420.598 0.824 20 0 HCADMO O=C(NCC1CC1)[C@@H]1CCCN(C[C@@H](O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000497754273 1078319483 /nfs/dbraw/zinc/31/94/83/1078319483.db2.gz ULGXGKNRWUVEAU-WKCHPHFGSA-N 1 1 420.598 0.824 20 0 HCADMO O=C(NCC1CC1)[C@@H]1CCCN(CC(O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)C1 ZINC000497754274 1078319452 /nfs/dbraw/zinc/31/94/52/1078319452.db2.gz ULGXGKNRWUVEAU-WOJBJXKFSA-N 1 1 420.598 0.824 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000497754547 1078319222 /nfs/dbraw/zinc/31/92/22/1078319222.db2.gz YCUBSANUGGTHRU-UHFFFAOYSA-N 1 1 409.462 0.768 20 0 HCADMO Cc1cc(CN2CCN(CC(O)C[NH+]3CCN(Cc4cc(C)on4)CC3)CC2)no1 ZINC000497754557 1078319253 /nfs/dbraw/zinc/31/92/53/1078319253.db2.gz YDWGJAJDWFPCAJ-UHFFFAOYSA-N 1 1 418.542 0.576 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F ZINC000497754595 1078319272 /nfs/dbraw/zinc/31/92/72/1078319272.db2.gz YVKAABCPEMPMIF-UHFFFAOYSA-N 1 1 414.453 0.824 20 0 HCADMO OC(CN1CCN(Cc2ccccn2)CC1)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000497755229 1078319407 /nfs/dbraw/zinc/31/94/07/1078319407.db2.gz IXDWXSKSQLIIBO-UHFFFAOYSA-N 1 1 410.566 0.773 20 0 HCADMO Cc1cc(CN2CCN(CC(O)C[NH+]3CCN(Cc4cc(C)no4)CC3)CC2)on1 ZINC000497755419 1078319704 /nfs/dbraw/zinc/31/97/04/1078319704.db2.gz LTWUOHVYQPIYMJ-UHFFFAOYSA-N 1 1 418.542 0.576 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000497759084 1078322640 /nfs/dbraw/zinc/32/26/40/1078322640.db2.gz BNXPWJMYKASUIG-UHFFFAOYSA-N 1 1 422.551 0.801 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccccc2SCC(=O)NCCOC)CC1 ZINC000497759087 1078322680 /nfs/dbraw/zinc/32/26/80/1078322680.db2.gz BQASNURGLVYTQR-UHFFFAOYSA-N 1 1 422.551 0.482 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1 ZINC000497759974 1078322936 /nfs/dbraw/zinc/32/29/36/1078322936.db2.gz PGPGKEQUQUMGJU-UHFFFAOYSA-N 1 1 408.524 0.376 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 ZINC000497760673 1078320754 /nfs/dbraw/zinc/32/07/54/1078320754.db2.gz XSIIBFZNSAKFSP-IBGZPJMESA-N 1 1 424.567 0.625 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000497760742 1078320694 /nfs/dbraw/zinc/32/06/94/1078320694.db2.gz ZCYKYKQRQMGNNN-DLBZAZTESA-N 1 1 422.526 0.295 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000497760743 1078320640 /nfs/dbraw/zinc/32/06/40/1078320640.db2.gz ZCYKYKQRQMGNNN-IAGOWNOFSA-N 1 1 422.526 0.295 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000497760744 1078320598 /nfs/dbraw/zinc/32/05/98/1078320598.db2.gz ZCYKYKQRQMGNNN-IRXDYDNUSA-N 1 1 422.526 0.295 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000497760745 1078320718 /nfs/dbraw/zinc/32/07/18/1078320718.db2.gz ZCYKYKQRQMGNNN-SJORKVTESA-N 1 1 422.526 0.295 20 0 HCADMO OC(CN1CCCC[C@@H]1CN1CCOCC1)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000497762957 1078321194 /nfs/dbraw/zinc/32/11/94/1078321194.db2.gz IZXLPBRGCMFZJS-FGZHOGPDSA-N 1 1 424.630 0.721 20 0 HCADMO OC(CN1CCCC[C@H]1CN1CCOCC1)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000497762959 1078321099 /nfs/dbraw/zinc/32/10/99/1078321099.db2.gz IZXLPBRGCMFZJS-VXKWHMMOSA-N 1 1 424.630 0.721 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000497763352 1078321548 /nfs/dbraw/zinc/32/15/48/1078321548.db2.gz ODFAWBKGKGHBBS-CABCVRRESA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1F ZINC000497763353 1078321677 /nfs/dbraw/zinc/32/16/77/1078321677.db2.gz ODFAWBKGKGHBBS-GJZGRUSLSA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1F ZINC000497763354 1078321718 /nfs/dbraw/zinc/32/17/18/1078321718.db2.gz ODFAWBKGKGHBBS-HUUCEWRRSA-N 1 1 412.487 0.758 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1F ZINC000497763355 1078321768 /nfs/dbraw/zinc/32/17/68/1078321768.db2.gz ODFAWBKGKGHBBS-LSDHHAIUSA-N 1 1 412.487 0.758 20 0 HCADMO 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CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225826 1078412606 /nfs/dbraw/zinc/41/26/06/1078412606.db2.gz JZHRXNQPDXCXPQ-DLBZAZTESA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225826 1078412601 /nfs/dbraw/zinc/41/26/01/1078412601.db2.gz JZHRXNQPDXCXPQ-DLBZAZTESA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225827 1078412651 /nfs/dbraw/zinc/41/26/51/1078412651.db2.gz JZHRXNQPDXCXPQ-IAGOWNOFSA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225827 1078412645 /nfs/dbraw/zinc/41/26/45/1078412645.db2.gz JZHRXNQPDXCXPQ-IAGOWNOFSA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225828 1078412628 /nfs/dbraw/zinc/41/26/28/1078412628.db2.gz JZHRXNQPDXCXPQ-IRXDYDNUSA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225828 1078412624 /nfs/dbraw/zinc/41/26/24/1078412624.db2.gz JZHRXNQPDXCXPQ-IRXDYDNUSA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225829 1078412769 /nfs/dbraw/zinc/41/27/69/1078412769.db2.gz JZHRXNQPDXCXPQ-SJORKVTESA-N 1 1 404.515 0.119 20 0 HCADMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 ZINC000498225829 1078412764 /nfs/dbraw/zinc/41/27/64/1078412764.db2.gz JZHRXNQPDXCXPQ-SJORKVTESA-N 1 1 404.515 0.119 20 0 HCADMO C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000498233515 1078423457 /nfs/dbraw/zinc/42/34/57/1078423457.db2.gz QETKXADITGJISS-KRWDZBQOSA-N 1 1 417.558 0.474 20 0 HCADMO C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)CN1CC[NH+](C)CC1 ZINC000498233516 1078423482 /nfs/dbraw/zinc/42/34/82/1078423482.db2.gz QETKXADITGJISS-QGZVFWFLSA-N 1 1 417.558 0.474 20 0 HCADMO 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CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(=O)N(C)CCc2ccccn2)CC1=O ZINC000498246055 1078429603 /nfs/dbraw/zinc/42/96/03/1078429603.db2.gz RXAYICQCSINDBH-PKOBYXMFSA-N 1 1 415.538 0.532 20 0 HCADMO COC(=O)c1c(C)csc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000498247407 1078431376 /nfs/dbraw/zinc/43/13/76/1078431376.db2.gz JPTUJIYMJRCAKD-CYBMUJFWSA-N 1 1 424.523 0.841 20 0 HCADMO COC(=O)c1c(C)csc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000498247408 1078431338 /nfs/dbraw/zinc/43/13/38/1078431338.db2.gz JPTUJIYMJRCAKD-ZDUSSCGKSA-N 1 1 424.523 0.841 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000498250449 1078434358 /nfs/dbraw/zinc/43/43/58/1078434358.db2.gz CHSGEZOWERKNBP-UHFFFAOYSA-N 1 1 414.503 0.957 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)Cn3nc4ccccn4c3=O)c2)CC1 ZINC000498252055 1078436645 /nfs/dbraw/zinc/43/66/45/1078436645.db2.gz GNLVWBUWPJYVAK-UHFFFAOYSA-N 1 1 408.462 0.451 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)C 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/nfs/dbraw/zinc/44/08/57/1078440857.db2.gz XAIXDNBOAQVSQO-INIZCTEOSA-N 1 1 402.476 0.663 20 0 HCADMO NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000498255684 1078440876 /nfs/dbraw/zinc/44/08/76/1078440876.db2.gz XAIXDNBOAQVSQO-MRXNPFEDSA-N 1 1 402.476 0.663 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256061 1078440525 /nfs/dbraw/zinc/44/05/25/1078440525.db2.gz YDAOFNOVPBOMLG-INIZCTEOSA-N 1 1 409.508 0.775 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000498256071 1078440529 /nfs/dbraw/zinc/44/05/29/1078440529.db2.gz YDAOFNOVPBOMLG-MRXNPFEDSA-N 1 1 409.508 0.775 20 0 HCADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)ccc1F ZINC000498256470 1078440886 /nfs/dbraw/zinc/44/08/86/1078440886.db2.gz XTOFOYCAVZVYSJ-UHFFFAOYSA-N 1 1 400.476 0.615 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3nc4ccccn4c3=O)cc2)CC1 ZINC000498257068 1078441227 /nfs/dbraw/zinc/44/12/27/1078441227.db2.gz 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C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000498355324 1078541216 /nfs/dbraw/zinc/54/12/16/1078541216.db2.gz TZWRKQWJKATEMR-HZPDHXFCSA-N 1 1 422.551 0.657 20 0 HCADMO C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000498355325 1078541401 /nfs/dbraw/zinc/54/14/01/1078541401.db2.gz TZWRKQWJKATEMR-JKSUJKDBSA-N 1 1 422.551 0.657 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000498360158 1078538955 /nfs/dbraw/zinc/53/89/55/1078538955.db2.gz XHZTWSILOXIAIW-UHFFFAOYSA-N 1 1 401.511 0.771 20 0 HCADMO Cc1ccccc1[C@@H](CC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)NC(N)=O ZINC000498364714 1078540178 /nfs/dbraw/zinc/54/01/78/1078540178.db2.gz DFYZKUGMUCNPSO-DOTOQJQBSA-N 1 1 410.540 0.672 20 0 HCADMO Cc1cccc([C@@H](CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)NC(N)=O)c1 ZINC000498367485 1078543667 /nfs/dbraw/zinc/54/36/67/1078543667.db2.gz MUOBJTARLSHVQE-DLBZAZTESA-N 1 1 410.540 0.672 20 0 HCADMO Cc1cccc([C@@H](CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)NC(N)=O)c1 ZINC000498367486 1078543577 /nfs/dbraw/zinc/54/35/77/1078543577.db2.gz MUOBJTARLSHVQE-IAGOWNOFSA-N 1 1 410.540 0.672 20 0 HCADMO Cc1cccc([C@H](CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)NC(N)=O)c1 ZINC000498367487 1078543815 /nfs/dbraw/zinc/54/38/15/1078543815.db2.gz MUOBJTARLSHVQE-IRXDYDNUSA-N 1 1 410.540 0.672 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377480 1078554118 /nfs/dbraw/zinc/55/41/18/1078554118.db2.gz MSRGMJVXWMVVSK-DLBZAZTESA-N 1 1 404.515 0.355 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377484 1078554012 /nfs/dbraw/zinc/55/40/12/1078554012.db2.gz MSRGMJVXWMVVSK-IAGOWNOFSA-N 1 1 404.515 0.355 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377487 1078554038 /nfs/dbraw/zinc/55/40/38/1078554038.db2.gz MSRGMJVXWMVVSK-IRXDYDNUSA-N 1 1 404.515 0.355 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(Cc3noc(C)n3)CC2)CC1=O ZINC000498377488 1078554143 /nfs/dbraw/zinc/55/41/43/1078554143.db2.gz MSRGMJVXWMVVSK-SJORKVTESA-N 1 1 404.515 0.355 20 0 HCADMO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000498377762 1078553505 /nfs/dbraw/zinc/55/35/05/1078553505.db2.gz NTRJGSVJPOXYMO-KRWDZBQOSA-N 1 1 402.561 0.409 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000498377764 1078553665 /nfs/dbraw/zinc/55/36/65/1078553665.db2.gz NTRJGSVJPOXYMO-QGZVFWFLSA-N 1 1 402.561 0.409 20 0 HCADMO CCc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)CC2)no1 ZINC000498382294 1078557890 /nfs/dbraw/zinc/55/78/90/1078557890.db2.gz BXQRXKFRXOXSEK-DLBZAZTESA-N 1 1 418.542 0.609 20 0 HCADMO CCc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)CC2)no1 ZINC000498382295 1078557797 /nfs/dbraw/zinc/55/77/97/1078557797.db2.gz BXQRXKFRXOXSEK-IAGOWNOFSA-N 1 1 418.542 0.609 20 0 HCADMO CCc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(C[C@@H]4CCC[N@@H+]4CC)C3)CC2)no1 ZINC000498382296 1078557844 /nfs/dbraw/zinc/55/78/44/1078557844.db2.gz BXQRXKFRXOXSEK-IRXDYDNUSA-N 1 1 418.542 0.609 20 0 HCADMO CCc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C[C@@H]4CCC[N@@H+]4CC)C3)CC2)no1 ZINC000498382297 1078557948 /nfs/dbraw/zinc/55/79/48/1078557948.db2.gz BXQRXKFRXOXSEK-SJORKVTESA-N 1 1 418.542 0.609 20 0 HCADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCc3ccnc4ccnn43)CC2)C1 ZINC000498390470 1078562264 /nfs/dbraw/zinc/56/22/64/1078562264.db2.gz UGLDKTXWJCBFMR-GOSISDBHSA-N 1 1 401.515 0.666 20 0 HCADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCc3ccnc4ccnn43)CC2)C1 ZINC000498390475 1078562391 /nfs/dbraw/zinc/56/23/91/1078562391.db2.gz UGLDKTXWJCBFMR-SFHVURJKSA-N 1 1 401.515 0.666 20 0 HCADMO COc1ccccc1NCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000498392762 1078564355 /nfs/dbraw/zinc/56/43/55/1078564355.db2.gz UOVDPYYATTXJSP-UHFFFAOYSA-N 1 1 417.554 0.804 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395944 1078567538 /nfs/dbraw/zinc/56/75/38/1078567538.db2.gz GIPYLNKFKMAFEG-MHORFTMASA-N 1 1 413.584 0.896 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395947 1078567464 /nfs/dbraw/zinc/56/74/64/1078567464.db2.gz GIPYLNKFKMAFEG-XDNAFOTISA-N 1 1 413.584 0.896 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000498395949 1078567569 /nfs/dbraw/zinc/56/75/69/1078567569.db2.gz GIPYLNKFKMAFEG-XWTMOSNGSA-N 1 1 413.584 0.896 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000498412489 1078574468 /nfs/dbraw/zinc/57/44/68/1078574468.db2.gz AUOHQLVTTSHPJK-UHFFFAOYSA-N 1 1 401.511 0.836 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000498415610 1078583064 /nfs/dbraw/zinc/58/30/64/1078583064.db2.gz YMPLLVIHVAQJPZ-UHFFFAOYSA-N 1 1 409.482 0.812 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CSc1nnnn1CC(F)(F)F ZINC000498415610 1078583051 /nfs/dbraw/zinc/58/30/51/1078583051.db2.gz YMPLLVIHVAQJPZ-UHFFFAOYSA-N 1 1 409.482 0.812 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000498419923 1078579006 /nfs/dbraw/zinc/57/90/06/1078579006.db2.gz DZOQOEMWHFDXIH-IBGZPJMESA-N 1 1 414.558 0.759 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000498419923 1078578999 /nfs/dbraw/zinc/57/89/99/1078578999.db2.gz DZOQOEMWHFDXIH-IBGZPJMESA-N 1 1 414.558 0.759 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000498419925 1078579243 /nfs/dbraw/zinc/57/92/43/1078579243.db2.gz DZOQOEMWHFDXIH-LJQANCHMSA-N 1 1 414.558 0.759 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000498419925 1078579225 /nfs/dbraw/zinc/57/92/25/1078579225.db2.gz DZOQOEMWHFDXIH-LJQANCHMSA-N 1 1 414.558 0.759 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000498421034 1078579987 /nfs/dbraw/zinc/57/99/87/1078579987.db2.gz DVGVDMFZSUNQPK-FQEVSTJZSA-N 1 1 423.602 0.184 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000498421714 1078579887 /nfs/dbraw/zinc/57/98/87/1078579887.db2.gz JURDZDXCXKEBQB-UHFFFAOYSA-N 1 1 414.558 0.825 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000498421714 1078579877 /nfs/dbraw/zinc/57/98/77/1078579877.db2.gz JURDZDXCXKEBQB-UHFFFAOYSA-N 1 1 414.558 0.825 20 0 HCADMO CCn1c2ccc(C(=O)NC[C@H](C)CN3CC[NH+](CC)CC3)cc2[nH]c(=O)c1=O ZINC000498422446 1078580292 /nfs/dbraw/zinc/58/02/92/1078580292.db2.gz JOGJXPDQBPXTHL-HNNXBMFYSA-N 1 1 401.511 0.713 20 0 HCADMO CCn1c2ccc(C(=O)NC[C@@H](C)CN3CC[NH+](CC)CC3)cc2[nH]c(=O)c1=O ZINC000498422447 1078580457 /nfs/dbraw/zinc/58/04/57/1078580457.db2.gz JOGJXPDQBPXTHL-OAHLLOKOSA-N 1 1 401.511 0.713 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000498424202 1078588163 /nfs/dbraw/zinc/58/81/63/1078588163.db2.gz RQDYMYPSCONUQS-HKUYNNGSSA-N 1 1 414.558 0.665 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000498424208 1078588188 /nfs/dbraw/zinc/58/81/88/1078588188.db2.gz RQDYMYPSCONUQS-IEBWSBKVSA-N 1 1 414.558 0.665 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000498424210 1078588718 /nfs/dbraw/zinc/58/87/18/1078588718.db2.gz RQDYMYPSCONUQS-MJGOQNOKSA-N 1 1 414.558 0.665 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000498424211 1078588948 /nfs/dbraw/zinc/58/89/48/1078588948.db2.gz RQDYMYPSCONUQS-PKOBYXMFSA-N 1 1 414.558 0.665 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498430018 1078586284 /nfs/dbraw/zinc/58/62/84/1078586284.db2.gz LMNGMUDDZVQAKI-UHFFFAOYSA-N 1 1 400.426 0.969 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1S(C)(=O)=O ZINC000498431169 1078601650 /nfs/dbraw/zinc/60/16/50/1078601650.db2.gz SFOXXGAYSXKZBF-INIZCTEOSA-N 1 1 411.524 0.810 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498431192 1078602469 /nfs/dbraw/zinc/60/24/69/1078602469.db2.gz TZRSTYGRDRTOCE-UHFFFAOYSA-N 1 1 413.425 0.287 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431626 1078587014 /nfs/dbraw/zinc/58/70/14/1078587014.db2.gz XBTITCINNAFTDB-HNNXBMFYSA-N 1 1 424.567 0.727 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498431631 1078587139 /nfs/dbraw/zinc/58/71/39/1078587139.db2.gz XBTITCINNAFTDB-OAHLLOKOSA-N 1 1 424.567 0.727 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433916 1078605225 /nfs/dbraw/zinc/60/52/25/1078605225.db2.gz OQFAKSXLQYAQJF-INIZCTEOSA-N 1 1 401.511 0.742 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000498433918 1078605288 /nfs/dbraw/zinc/60/52/88/1078605288.db2.gz OQFAKSXLQYAQJF-MRXNPFEDSA-N 1 1 401.511 0.742 20 0 HCADMO CNC(=O)COc1ccc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000498434333 1078605245 /nfs/dbraw/zinc/60/52/45/1078605245.db2.gz HVZABNNLNMWMGL-UHFFFAOYSA-N 1 1 406.527 0.918 20 0 HCADMO CNC(=O)COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1OC ZINC000498434333 1078605242 /nfs/dbraw/zinc/60/52/42/1078605242.db2.gz HVZABNNLNMWMGL-UHFFFAOYSA-N 1 1 406.527 0.918 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000498434605 1078604269 /nfs/dbraw/zinc/60/42/69/1078604269.db2.gz IOEUZLTUCMRFOG-INIZCTEOSA-N 1 1 413.522 0.648 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CNC(=O)c2cnc3ccccc3c2O)CC1 ZINC000498434606 1078604324 /nfs/dbraw/zinc/60/43/24/1078604324.db2.gz IOEUZLTUCMRFOG-MRXNPFEDSA-N 1 1 413.522 0.648 20 0 HCADMO CC(C)[C@@H](CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)[NH+]1CCOCC1 ZINC000498435035 1078605788 /nfs/dbraw/zinc/60/57/88/1078605788.db2.gz JYNLTXZUTXCHIQ-QGZVFWFLSA-N 1 1 401.515 0.814 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435504 1078605511 /nfs/dbraw/zinc/60/55/11/1078605511.db2.gz MASMUVCRKQLITA-CABCVRRESA-N 1 1 402.586 0.805 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435512 1078605862 /nfs/dbraw/zinc/60/58/62/1078605862.db2.gz MASMUVCRKQLITA-GJZGRUSLSA-N 1 1 402.586 0.805 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435514 1078605642 /nfs/dbraw/zinc/60/56/42/1078605642.db2.gz MASMUVCRKQLITA-HUUCEWRRSA-N 1 1 402.586 0.805 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000498435516 1078605751 /nfs/dbraw/zinc/60/57/51/1078605751.db2.gz MASMUVCRKQLITA-LSDHHAIUSA-N 1 1 402.586 0.805 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498435572 1078605702 /nfs/dbraw/zinc/60/57/02/1078605702.db2.gz OWPQBZVQDATMTR-INIZCTEOSA-N 1 1 414.547 0.884 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000498435574 1078605314 /nfs/dbraw/zinc/60/53/14/1078605314.db2.gz OWPQBZVQDATMTR-MRXNPFEDSA-N 1 1 414.547 0.884 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436305 1078595790 /nfs/dbraw/zinc/59/57/90/1078595790.db2.gz UINXPDKTKOXJAL-INIZCTEOSA-N 1 1 401.511 0.882 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498436306 1078595912 /nfs/dbraw/zinc/59/59/12/1078595912.db2.gz UINXPDKTKOXJAL-MRXNPFEDSA-N 1 1 401.511 0.882 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436336 1078595962 /nfs/dbraw/zinc/59/59/62/1078595962.db2.gz UUMYMLDZYCJNLD-INIZCTEOSA-N 1 1 406.527 0.823 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000498436337 1078595738 /nfs/dbraw/zinc/59/57/38/1078595738.db2.gz UUMYMLDZYCJNLD-MRXNPFEDSA-N 1 1 406.527 0.823 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](C)CN3CC[NH+](CC)CC3)cnc21 ZINC000498436744 1078595984 /nfs/dbraw/zinc/59/59/84/1078595984.db2.gz XWPNIMWSMFGOBV-HNNXBMFYSA-N 1 1 416.526 0.911 20 0 HCADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](C)CN3CC[NH+](CC)CC3)cnc21 ZINC000498436745 1078595671 /nfs/dbraw/zinc/59/56/71/1078595671.db2.gz XWPNIMWSMFGOBV-OAHLLOKOSA-N 1 1 416.526 0.911 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498438984 1078599090 /nfs/dbraw/zinc/59/90/90/1078599090.db2.gz JLBKATSGXQIXDW-INIZCTEOSA-N 1 1 401.511 0.882 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498438985 1078598925 /nfs/dbraw/zinc/59/89/25/1078598925.db2.gz JLBKATSGXQIXDW-MRXNPFEDSA-N 1 1 401.511 0.882 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439986 1078599729 /nfs/dbraw/zinc/59/97/29/1078599729.db2.gz MFLSPYKIQPCRSY-INIZCTEOSA-N 1 1 401.511 0.848 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000498439987 1078599538 /nfs/dbraw/zinc/59/95/38/1078599538.db2.gz MFLSPYKIQPCRSY-MRXNPFEDSA-N 1 1 401.511 0.848 20 0 HCADMO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000498440608 1078599624 /nfs/dbraw/zinc/59/96/24/1078599624.db2.gz ASBPQQALTXSQCY-GOSISDBHSA-N 1 1 418.494 0.426 20 0 HCADMO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000498440610 1078599480 /nfs/dbraw/zinc/59/94/80/1078599480.db2.gz ASBPQQALTXSQCY-SFHVURJKSA-N 1 1 418.494 0.426 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC1 ZINC000498441252 1078608042 /nfs/dbraw/zinc/60/80/42/1078608042.db2.gz AZMHMRLYAYXFBW-UHFFFAOYSA-N 1 1 410.540 0.481 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1S(C)(=O)=O ZINC000498441937 1078609629 /nfs/dbraw/zinc/60/96/29/1078609629.db2.gz JWZIYGHVAXFGTM-GASCZTMLSA-N 1 1 411.524 0.953 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000498445559 1078612863 /nfs/dbraw/zinc/61/28/63/1078612863.db2.gz PXMCNPYRHTZWQV-UHFFFAOYSA-N 1 1 413.425 0.333 20 0 HCADMO CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498445952 1078613935 /nfs/dbraw/zinc/61/39/35/1078613935.db2.gz MEYZCUKIBFAPSW-UHFFFAOYSA-N 1 1 403.527 0.147 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000498450098 1078619495 /nfs/dbraw/zinc/61/94/95/1078619495.db2.gz YPHBIWYXGAPGGV-GDBMZVCRSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000498450098 1078619490 /nfs/dbraw/zinc/61/94/90/1078619490.db2.gz YPHBIWYXGAPGGV-GDBMZVCRSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000498450099 1078619321 /nfs/dbraw/zinc/61/93/21/1078619321.db2.gz YPHBIWYXGAPGGV-GOEBONIOSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000498450099 1078619317 /nfs/dbraw/zinc/61/93/17/1078619317.db2.gz YPHBIWYXGAPGGV-GOEBONIOSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000498450100 1078619350 /nfs/dbraw/zinc/61/93/50/1078619350.db2.gz YPHBIWYXGAPGGV-HOCLYGCPSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000498450100 1078619344 /nfs/dbraw/zinc/61/93/44/1078619344.db2.gz YPHBIWYXGAPGGV-HOCLYGCPSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000498450101 1078619405 /nfs/dbraw/zinc/61/94/05/1078619405.db2.gz YPHBIWYXGAPGGV-ZBFHGGJFSA-N 1 1 411.524 0.641 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000498450101 1078619399 /nfs/dbraw/zinc/61/93/99/1078619399.db2.gz YPHBIWYXGAPGGV-ZBFHGGJFSA-N 1 1 411.524 0.641 20 0 HCADMO CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000498450470 1078618669 /nfs/dbraw/zinc/61/86/69/1078618669.db2.gz DAIVCKQZCJEIEP-CABCVRRESA-N 1 1 402.586 0.803 20 0 HCADMO CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000498450471 1078618578 /nfs/dbraw/zinc/61/85/78/1078618578.db2.gz DAIVCKQZCJEIEP-GJZGRUSLSA-N 1 1 402.586 0.803 20 0 HCADMO CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000498450472 1078618624 /nfs/dbraw/zinc/61/86/24/1078618624.db2.gz DAIVCKQZCJEIEP-HUUCEWRRSA-N 1 1 402.586 0.803 20 0 HCADMO CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccs1)N1CC[NH+](C)CC1 ZINC000498450473 1078618720 /nfs/dbraw/zinc/61/87/20/1078618720.db2.gz DAIVCKQZCJEIEP-LSDHHAIUSA-N 1 1 402.586 0.803 20 0 HCADMO CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000498451259 1078607226 /nfs/dbraw/zinc/60/72/26/1078607226.db2.gz IMVULNVDGUQWRE-GOSISDBHSA-N 1 1 414.547 0.882 20 0 HCADMO CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000498451261 1078607240 /nfs/dbraw/zinc/60/72/40/1078607240.db2.gz IMVULNVDGUQWRE-SFHVURJKSA-N 1 1 414.547 0.882 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1S(C)(=O)=O ZINC000498452727 1078607164 /nfs/dbraw/zinc/60/71/64/1078607164.db2.gz YERICLZPUKAJGI-KRWDZBQOSA-N 1 1 424.567 0.725 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1S(C)(=O)=O ZINC000498452728 1078607251 /nfs/dbraw/zinc/60/72/51/1078607251.db2.gz YERICLZPUKAJGI-QGZVFWFLSA-N 1 1 424.567 0.725 20 0 HCADMO CC(C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000498453741 1078608154 /nfs/dbraw/zinc/60/81/54/1078608154.db2.gz OVNZTOJGQWKPAV-KRWDZBQOSA-N 1 1 414.547 0.882 20 0 HCADMO CC(C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccccc1F)N1CC[NH+](C)CC1 ZINC000498453742 1078608192 /nfs/dbraw/zinc/60/81/92/1078608192.db2.gz OVNZTOJGQWKPAV-QGZVFWFLSA-N 1 1 414.547 0.882 20 0 HCADMO CNC(=O)COc1ccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000498453927 1078620299 /nfs/dbraw/zinc/62/02/99/1078620299.db2.gz SRMKWOFKSLBFKF-KRWDZBQOSA-N 1 1 406.527 0.822 20 0 HCADMO CNC(=O)COc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000498453928 1078619988 /nfs/dbraw/zinc/61/99/88/1078619988.db2.gz SRMKWOFKSLBFKF-QGZVFWFLSA-N 1 1 406.527 0.822 20 0 HCADMO CCn1c2ccc(C(=O)NC[C@H](C(C)C)N3CC[NH+](C)CC3)cc2[nH]c(=O)c1=O ZINC000498455241 1078620180 /nfs/dbraw/zinc/62/01/80/1078620180.db2.gz UXXAGLXLPPQAOO-GOSISDBHSA-N 1 1 401.511 0.712 20 0 HCADMO CCn1c2ccc(C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)cc2[nH]c(=O)c1=O ZINC000498455242 1078619941 /nfs/dbraw/zinc/61/99/41/1078619941.db2.gz UXXAGLXLPPQAOO-SFHVURJKSA-N 1 1 401.511 0.712 20 0 HCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H](C)CN2CCN(C)CC2)CC1 ZINC000498455354 1078620275 /nfs/dbraw/zinc/62/02/75/1078620275.db2.gz SYGFTUUVMMJGMD-HNNXBMFYSA-N 1 1 412.604 0.653 20 0 HCADMO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000498455355 1078620102 /nfs/dbraw/zinc/62/01/02/1078620102.db2.gz SYGFTUUVMMJGMD-OAHLLOKOSA-N 1 1 412.604 0.653 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000498455768 1078620053 /nfs/dbraw/zinc/62/00/53/1078620053.db2.gz XSDJLRMMEWWZDK-MOPGFXCFSA-N 1 1 414.558 0.663 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000498455904 1078621666 /nfs/dbraw/zinc/62/16/66/1078621666.db2.gz XSDJLRMMEWWZDK-OALUTQOASA-N 1 1 414.558 0.663 20 0 HCADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000498455905 1078621515 /nfs/dbraw/zinc/62/15/15/1078621515.db2.gz XSDJLRMMEWWZDK-RBUKOAKNSA-N 1 1 414.558 0.663 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000498455906 1078621407 /nfs/dbraw/zinc/62/14/07/1078621407.db2.gz XSDJLRMMEWWZDK-RTBURBONSA-N 1 1 414.558 0.663 20 0 HCADMO CC(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)N1CC[NH+](C)CC1 ZINC000498456194 1078621685 /nfs/dbraw/zinc/62/16/85/1078621685.db2.gz AMSKLTZNTLNERD-GOSISDBHSA-N 1 1 401.511 0.740 20 0 HCADMO CC(C)[C@H](CNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)N1CC[NH+](C)CC1 ZINC000498456195 1078621542 /nfs/dbraw/zinc/62/15/42/1078621542.db2.gz AMSKLTZNTLNERD-SFHVURJKSA-N 1 1 401.511 0.740 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000498457094 1078621647 /nfs/dbraw/zinc/62/16/47/1078621647.db2.gz KMHIZEKAVRMSLN-UHFFFAOYSA-N 1 1 416.569 0.429 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 ZINC000498457094 1078621640 /nfs/dbraw/zinc/62/16/40/1078621640.db2.gz KMHIZEKAVRMSLN-UHFFFAOYSA-N 1 1 416.569 0.429 20 0 HCADMO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[N@@H+](CC(=O)N3CCCC3)CC1)C2=O ZINC000498457160 1078621621 /nfs/dbraw/zinc/62/16/21/1078621621.db2.gz LHHYDDIJUAGEQQ-UHFFFAOYSA-N 1 1 412.490 0.748 20 0 HCADMO Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[N@H+](CC(=O)N3CCCC3)CC1)C2=O ZINC000498457160 1078621614 /nfs/dbraw/zinc/62/16/14/1078621614.db2.gz LHHYDDIJUAGEQQ-UHFFFAOYSA-N 1 1 412.490 0.748 20 0 HCADMO CN1CC(=O)N(CCCC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1=O ZINC000498459069 1078624090 /nfs/dbraw/zinc/62/40/90/1078624090.db2.gz AXKPIDCEBDCOGV-UHFFFAOYSA-N 1 1 415.494 0.365 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 ZINC000498459713 1078623655 /nfs/dbraw/zinc/62/36/55/1078623655.db2.gz VXHSWPDLUHVAGN-UHFFFAOYSA-N 1 1 401.467 0.021 20 0 HCADMO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498459998 1078625546 /nfs/dbraw/zinc/62/55/46/1078625546.db2.gz XGPHHLBQKWHJCH-MSOLQXFVSA-N 1 1 415.494 0.782 20 0 HCADMO COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498460005 1078625578 /nfs/dbraw/zinc/62/55/78/1078625578.db2.gz XGPHHLBQKWHJCH-QZTJIDSGSA-N 1 1 415.494 0.782 20 0 HCADMO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498460007 1078625298 /nfs/dbraw/zinc/62/52/98/1078625298.db2.gz XGPHHLBQKWHJCH-ROUUACIJSA-N 1 1 415.494 0.782 20 0 HCADMO COC[C@H](O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498460008 1078625566 /nfs/dbraw/zinc/62/55/66/1078625566.db2.gz XGPHHLBQKWHJCH-ZWKOTPCHSA-N 1 1 415.494 0.782 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1CCOC ZINC000498460685 1078624804 /nfs/dbraw/zinc/62/48/04/1078624804.db2.gz JXCSQVIWFWZMKN-INIZCTEOSA-N 1 1 411.524 0.906 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1CCOC ZINC000498460685 1078624797 /nfs/dbraw/zinc/62/47/97/1078624797.db2.gz JXCSQVIWFWZMKN-INIZCTEOSA-N 1 1 411.524 0.906 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@H+]1CCOC ZINC000498460687 1078624659 /nfs/dbraw/zinc/62/46/59/1078624659.db2.gz JXCSQVIWFWZMKN-MRXNPFEDSA-N 1 1 411.524 0.906 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)CC[N@@H+]1CCOC ZINC000498460687 1078624650 /nfs/dbraw/zinc/62/46/50/1078624650.db2.gz JXCSQVIWFWZMKN-MRXNPFEDSA-N 1 1 411.524 0.906 20 0 HCADMO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000498461270 1078625404 /nfs/dbraw/zinc/62/54/04/1078625404.db2.gz CHKABMKFJNGTEJ-MSOLQXFVSA-N 1 1 420.510 0.305 20 0 HCADMO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000498461273 1078625339 /nfs/dbraw/zinc/62/53/39/1078625339.db2.gz CHKABMKFJNGTEJ-QZTJIDSGSA-N 1 1 420.510 0.305 20 0 HCADMO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000498461275 1078625421 /nfs/dbraw/zinc/62/54/21/1078625421.db2.gz CHKABMKFJNGTEJ-ROUUACIJSA-N 1 1 420.510 0.305 20 0 HCADMO COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000498461277 1078626152 /nfs/dbraw/zinc/62/61/52/1078626152.db2.gz CHKABMKFJNGTEJ-ZWKOTPCHSA-N 1 1 420.510 0.305 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)ccc1S(C)(=O)=O ZINC000498461589 1078625505 /nfs/dbraw/zinc/62/55/05/1078625505.db2.gz NQCGLHIBIDMWAS-UHFFFAOYSA-N 1 1 410.540 0.479 20 0 HCADMO O=C(C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1)N1CCCC1 ZINC000498462412 1078626129 /nfs/dbraw/zinc/62/61/29/1078626129.db2.gz JDGSCXIZIVAOQB-UHFFFAOYSA-N 1 1 414.553 0.183 20 0 HCADMO O=C(C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1)N1CCCC1 ZINC000498462412 1078626124 /nfs/dbraw/zinc/62/61/24/1078626124.db2.gz JDGSCXIZIVAOQB-UHFFFAOYSA-N 1 1 414.553 0.183 20 0 HCADMO CC(C)[C@H](CNC(=O)C1CCN(c2ccc3nncn3n2)CC1)N1CC[NH+](C)CC1 ZINC000498462818 1078625967 /nfs/dbraw/zinc/62/59/67/1078625967.db2.gz KHNMAMTVMJJKOL-SFHVURJKSA-N 1 1 414.558 0.729 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000498465784 1078628164 /nfs/dbraw/zinc/62/81/64/1078628164.db2.gz MKHRAIJPDSAGGQ-UHFFFAOYSA-N 1 1 414.506 0.994 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000498465784 1078628154 /nfs/dbraw/zinc/62/81/54/1078628154.db2.gz MKHRAIJPDSAGGQ-UHFFFAOYSA-N 1 1 414.506 0.994 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000498466152 1078629452 /nfs/dbraw/zinc/62/94/52/1078629452.db2.gz NNOQVPUOJZIROD-IBGZPJMESA-N 1 1 410.584 0.916 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000498466155 1078629513 /nfs/dbraw/zinc/62/95/13/1078629513.db2.gz NNOQVPUOJZIROD-LJQANCHMSA-N 1 1 410.584 0.916 20 0 HCADMO O=C(C[N@H+]1CCCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1)N1CCCC1 ZINC000498468187 1078631152 /nfs/dbraw/zinc/63/11/52/1078631152.db2.gz TUTHPCGGDHIFLB-GOSISDBHSA-N 1 1 400.479 0.933 20 0 HCADMO O=C(C[N@@H+]1CCCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1)N1CCCC1 ZINC000498468187 1078631149 /nfs/dbraw/zinc/63/11/49/1078631149.db2.gz TUTHPCGGDHIFLB-GOSISDBHSA-N 1 1 400.479 0.933 20 0 HCADMO O=C(C[N@H+]1CCCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1)N1CCCC1 ZINC000498468188 1078631231 /nfs/dbraw/zinc/63/12/31/1078631231.db2.gz TUTHPCGGDHIFLB-SFHVURJKSA-N 1 1 400.479 0.933 20 0 HCADMO O=C(C[N@@H+]1CCCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1)N1CCCC1 ZINC000498468188 1078631229 /nfs/dbraw/zinc/63/12/29/1078631229.db2.gz TUTHPCGGDHIFLB-SFHVURJKSA-N 1 1 400.479 0.933 20 0 HCADMO COCC[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498470257 1078633119 /nfs/dbraw/zinc/63/31/19/1078633119.db2.gz MIMGYSCJGKXUSM-HNNXBMFYSA-N 1 1 410.421 0.960 20 0 HCADMO COCC[NH+]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)CC1 ZINC000498470258 1078633056 /nfs/dbraw/zinc/63/30/56/1078633056.db2.gz MIMGYSCJGKXUSM-OAHLLOKOSA-N 1 1 410.421 0.960 20 0 HCADMO CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000498470861 1078633159 /nfs/dbraw/zinc/63/31/59/1078633159.db2.gz LXWVPJVMHGMCFO-GOSISDBHSA-N 1 1 412.494 0.841 20 0 HCADMO CN(C(=O)c1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000498470862 1078633085 /nfs/dbraw/zinc/63/30/85/1078633085.db2.gz LXWVPJVMHGMCFO-SFHVURJKSA-N 1 1 412.494 0.841 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1S(C)(=O)=O ZINC000498475973 1078637401 /nfs/dbraw/zinc/63/74/01/1078637401.db2.gz YZYRPZBBTPWWAE-UHFFFAOYSA-N 1 1 409.508 0.660 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476229 1078636805 /nfs/dbraw/zinc/63/68/05/1078636805.db2.gz VHRTVOXARNVBRC-DLBZAZTESA-N 1 1 414.572 0.155 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476231 1078636835 /nfs/dbraw/zinc/63/68/35/1078636835.db2.gz VHRTVOXARNVBRC-IAGOWNOFSA-N 1 1 414.572 0.155 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476232 1078636822 /nfs/dbraw/zinc/63/68/22/1078636822.db2.gz VHRTVOXARNVBRC-IRXDYDNUSA-N 1 1 414.572 0.155 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)NCC2CCC2)CC1=O ZINC000498476233 1078636767 /nfs/dbraw/zinc/63/67/67/1078636767.db2.gz VHRTVOXARNVBRC-SJORKVTESA-N 1 1 414.572 0.155 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000498476252 1078636830 /nfs/dbraw/zinc/63/68/30/1078636830.db2.gz VKZJBIPROSGDQH-KRWDZBQOSA-N 1 1 408.524 0.120 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000498476254 1078636812 /nfs/dbraw/zinc/63/68/12/1078636812.db2.gz VKZJBIPROSGDQH-QGZVFWFLSA-N 1 1 408.524 0.120 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)C1 ZINC000498479324 1078637933 /nfs/dbraw/zinc/63/79/33/1078637933.db2.gz JJKSTDPHBKPCAM-GFCCVEGCSA-N 1 1 413.425 0.368 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)C1 ZINC000498479325 1078637797 /nfs/dbraw/zinc/63/77/97/1078637797.db2.gz JJKSTDPHBKPCAM-LBPRGKRZSA-N 1 1 413.425 0.368 20 0 HCADMO COc1ccc(-n2nnc(C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)c2C)cc1 ZINC000498490361 1078643709 /nfs/dbraw/zinc/64/37/09/1078643709.db2.gz BFSFAADVRKLKRO-GOSISDBHSA-N 1 1 412.494 0.963 20 0 HCADMO COc1ccc(-n2nnc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c2C)cc1 ZINC000498490362 1078643616 /nfs/dbraw/zinc/64/36/16/1078643616.db2.gz BFSFAADVRKLKRO-SFHVURJKSA-N 1 1 412.494 0.963 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000498491760 1078645014 /nfs/dbraw/zinc/64/50/14/1078645014.db2.gz FEXSBNDABRDWJY-INIZCTEOSA-N 1 1 423.473 0.908 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000498491761 1078645065 /nfs/dbraw/zinc/64/50/65/1078645065.db2.gz FEXSBNDABRDWJY-MRXNPFEDSA-N 1 1 423.473 0.908 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498492289 1078646074 /nfs/dbraw/zinc/64/60/74/1078646074.db2.gz GAAKGFODVWUKRZ-FUHWJXTLSA-N 1 1 422.551 0.427 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498492290 1078646565 /nfs/dbraw/zinc/64/65/65/1078646565.db2.gz GAAKGFODVWUKRZ-WMZOPIPTSA-N 1 1 422.551 0.427 20 0 HCADMO Cc1sc2ncn(CC(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)c(=O)c2c1C ZINC000498492846 1078646089 /nfs/dbraw/zinc/64/60/89/1078646089.db2.gz HHLCSRGZRWGTBH-HNNXBMFYSA-N 1 1 417.535 0.840 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000498493655 1078646670 /nfs/dbraw/zinc/64/66/70/1078646670.db2.gz KCFICGDUMYIYRO-ROUUACIJSA-N 1 1 402.470 0.944 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000498493657 1078646557 /nfs/dbraw/zinc/64/65/57/1078646557.db2.gz KCFICGDUMYIYRO-ZWKOTPCHSA-N 1 1 402.470 0.944 20 0 HCADMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000498494411 1078646594 /nfs/dbraw/zinc/64/65/94/1078646594.db2.gz MINPIDTWQIFHOP-IBGZPJMESA-N 1 1 415.494 0.982 20 0 HCADMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000498494413 1078646641 /nfs/dbraw/zinc/64/66/41/1078646641.db2.gz MINPIDTWQIFHOP-LJQANCHMSA-N 1 1 415.494 0.982 20 0 HCADMO Cc1cccc([C@@H](CC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)NC(N)=O)c1 ZINC000498495142 1078658037 /nfs/dbraw/zinc/65/80/37/1078658037.db2.gz OLHQYVFEZAEUAV-QZTJIDSGSA-N 1 1 401.511 0.860 20 0 HCADMO Cc1cccc([C@H](CC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)NC(N)=O)c1 ZINC000498495143 1078658149 /nfs/dbraw/zinc/65/81/49/1078658149.db2.gz OLHQYVFEZAEUAV-ROUUACIJSA-N 1 1 401.511 0.860 20 0 HCADMO Cc1cccc([C@H](CC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)NC(N)=O)c1 ZINC000498495144 1078658179 /nfs/dbraw/zinc/65/81/79/1078658179.db2.gz OLHQYVFEZAEUAV-ZWKOTPCHSA-N 1 1 401.511 0.860 20 0 HCADMO Cn1ccc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)n1 ZINC000498495187 1078647624 /nfs/dbraw/zinc/64/76/24/1078647624.db2.gz GWDRITLOQDRKMG-UHFFFAOYSA-N 1 1 410.478 0.962 20 0 HCADMO COc1ccnc(N2CCC(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000498496501 1078659140 /nfs/dbraw/zinc/65/91/40/1078659140.db2.gz SCSNQBXKUMOQMQ-KRWDZBQOSA-N 1 1 416.526 0.467 20 0 HCADMO COc1ccnc(N2CCC(C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000498496502 1078659106 /nfs/dbraw/zinc/65/91/06/1078659106.db2.gz SCSNQBXKUMOQMQ-QGZVFWFLSA-N 1 1 416.526 0.467 20 0 HCADMO CCn1c2ccc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)cc2[nH]c(=O)c1=O ZINC000498496609 1078659091 /nfs/dbraw/zinc/65/90/91/1078659091.db2.gz OCKHEQFMKXBDCQ-KRWDZBQOSA-N 1 1 413.478 0.088 20 0 HCADMO CCn1c2ccc(C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)cc2[nH]c(=O)c1=O ZINC000498496610 1078659081 /nfs/dbraw/zinc/65/90/81/1078659081.db2.gz OCKHEQFMKXBDCQ-QGZVFWFLSA-N 1 1 413.478 0.088 20 0 HCADMO Cc1ccc(CCC(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498496616 1078659165 /nfs/dbraw/zinc/65/91/65/1078659165.db2.gz OCYBCIQDTAQCCT-LJQANCHMSA-N 1 1 400.523 0.809 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498496915 1078659674 /nfs/dbraw/zinc/65/96/74/1078659674.db2.gz PBFPLOGBBVJBMN-GOSISDBHSA-N 1 1 422.551 0.292 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498496916 1078659721 /nfs/dbraw/zinc/65/97/21/1078659721.db2.gz PBFPLOGBBVJBMN-SFHVURJKSA-N 1 1 422.551 0.292 20 0 HCADMO CNC(=O)COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000498497564 1078660169 /nfs/dbraw/zinc/66/01/69/1078660169.db2.gz QWJJJGXBLHDQEV-INIZCTEOSA-N 1 1 418.494 0.199 20 0 HCADMO CNC(=O)COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000498497573 1078660134 /nfs/dbraw/zinc/66/01/34/1078660134.db2.gz QWJJJGXBLHDQEV-MRXNPFEDSA-N 1 1 418.494 0.199 20 0 HCADMO CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498497708 1078660332 /nfs/dbraw/zinc/66/03/32/1078660332.db2.gz RPWFONDGQQBXOS-KRWDZBQOSA-N 1 1 408.524 0.363 20 0 HCADMO CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498497709 1078660205 /nfs/dbraw/zinc/66/02/05/1078660205.db2.gz RPWFONDGQQBXOS-QGZVFWFLSA-N 1 1 408.524 0.363 20 0 HCADMO CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000498497797 1078660191 /nfs/dbraw/zinc/66/01/91/1078660191.db2.gz WSABCHMDVIKUNF-NRFANRHFSA-N 1 1 413.566 0.569 20 0 HCADMO CN1CCN(C(=O)[C@H]2CCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000498497798 1078660251 /nfs/dbraw/zinc/66/02/51/1078660251.db2.gz WSABCHMDVIKUNF-OAQYLSRUSA-N 1 1 413.566 0.569 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498498249 1078661952 /nfs/dbraw/zinc/66/19/52/1078661952.db2.gz YGUHYBBNCNRDJD-GOSISDBHSA-N 1 1 422.551 0.752 20 0 HCADMO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498498250 1078661962 /nfs/dbraw/zinc/66/19/62/1078661962.db2.gz YGUHYBBNCNRDJD-SFHVURJKSA-N 1 1 422.551 0.752 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498499000 1078665250 /nfs/dbraw/zinc/66/52/50/1078665250.db2.gz XJJDKCILQCKYIU-KRWDZBQOSA-N 1 1 413.478 0.257 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 ZINC000498499002 1078665430 /nfs/dbraw/zinc/66/54/30/1078665430.db2.gz XJJDKCILQCKYIU-QGZVFWFLSA-N 1 1 413.478 0.257 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498499105 1078665422 /nfs/dbraw/zinc/66/54/22/1078665422.db2.gz YCFUVGCJJOHQIC-KRWDZBQOSA-N 1 1 408.524 0.316 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498499108 1078665412 /nfs/dbraw/zinc/66/54/12/1078665412.db2.gz YCFUVGCJJOHQIC-QGZVFWFLSA-N 1 1 408.524 0.316 20 0 HCADMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000498499464 1078663469 /nfs/dbraw/zinc/66/34/69/1078663469.db2.gz ZSKGGSRMXNEYOB-GOSISDBHSA-N 1 1 422.551 0.752 20 0 HCADMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000498499465 1078663578 /nfs/dbraw/zinc/66/35/78/1078663578.db2.gz ZSKGGSRMXNEYOB-SFHVURJKSA-N 1 1 422.551 0.752 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccn(C)n3)cc2)CC1 ZINC000498501628 1078655037 /nfs/dbraw/zinc/65/50/37/1078655037.db2.gz VFUMAOCGAYXCDO-UHFFFAOYSA-N 1 1 412.494 0.382 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498502369 1078657638 /nfs/dbraw/zinc/65/76/38/1078657638.db2.gz GHACWSOFAHTILU-KRWDZBQOSA-N 1 1 413.478 0.257 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000498502370 1078657665 /nfs/dbraw/zinc/65/76/65/1078657665.db2.gz GHACWSOFAHTILU-QGZVFWFLSA-N 1 1 413.478 0.257 20 0 HCADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498502757 1078656907 /nfs/dbraw/zinc/65/69/07/1078656907.db2.gz JRWGIYPMBNESRR-KBPBESRZSA-N 1 1 414.553 0.180 20 0 HCADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498502758 1078656923 /nfs/dbraw/zinc/65/69/23/1078656923.db2.gz JRWGIYPMBNESRR-KGLIPLIRSA-N 1 1 414.553 0.180 20 0 HCADMO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498502759 1078656866 /nfs/dbraw/zinc/65/68/66/1078656866.db2.gz JRWGIYPMBNESRR-UONOGXRCSA-N 1 1 414.553 0.180 20 0 HCADMO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498502760 1078656932 /nfs/dbraw/zinc/65/69/32/1078656932.db2.gz JRWGIYPMBNESRR-ZIAGYGMSSA-N 1 1 414.553 0.180 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000498504085 1078668827 /nfs/dbraw/zinc/66/88/27/1078668827.db2.gz OXJZMDKETOZTSD-RDJZCZTQSA-N 1 1 408.524 0.118 20 0 HCADMO COc1ccc(C(=O)NCCCC(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498504729 1078667847 /nfs/dbraw/zinc/66/78/47/1078667847.db2.gz QWKNIAXYDDKLAT-IBGZPJMESA-N 1 1 416.522 0.970 20 0 HCADMO COc1ccc(C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498504730 1078667870 /nfs/dbraw/zinc/66/78/70/1078667870.db2.gz QWKNIAXYDDKLAT-LJQANCHMSA-N 1 1 416.522 0.970 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000498505241 1078670754 /nfs/dbraw/zinc/67/07/54/1078670754.db2.gz SSVWXMWMTLNNMB-GOSISDBHSA-N 1 1 413.453 0.750 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000498505243 1078670785 /nfs/dbraw/zinc/67/07/85/1078670785.db2.gz SSVWXMWMTLNNMB-SFHVURJKSA-N 1 1 413.453 0.750 20 0 HCADMO CN(CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000498505407 1078670251 /nfs/dbraw/zinc/67/02/51/1078670251.db2.gz UHHSSABWUXVXQE-KRWDZBQOSA-N 1 1 408.524 0.072 20 0 HCADMO CN(CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000498505408 1078670124 /nfs/dbraw/zinc/67/01/24/1078670124.db2.gz UHHSSABWUXVXQE-QGZVFWFLSA-N 1 1 408.524 0.072 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000498507897 1078673603 /nfs/dbraw/zinc/67/36/03/1078673603.db2.gz ZIQYZHZYSMJNRJ-QGZVFWFLSA-N 1 1 408.462 0.554 20 0 HCADMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000498509138 1078676034 /nfs/dbraw/zinc/67/60/34/1078676034.db2.gz HWERESCEJQOYMD-UHFFFAOYSA-N 1 1 404.515 0.404 20 0 HCADMO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000498509945 1078682713 /nfs/dbraw/zinc/68/27/13/1078682713.db2.gz NHLZRDJQYNRBFW-PBHICJAKSA-N 1 1 403.483 0.193 20 0 HCADMO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000498509945 1078682705 /nfs/dbraw/zinc/68/27/05/1078682705.db2.gz NHLZRDJQYNRBFW-PBHICJAKSA-N 1 1 403.483 0.193 20 0 HCADMO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000498509946 1078682620 /nfs/dbraw/zinc/68/26/20/1078682620.db2.gz NHLZRDJQYNRBFW-RHSMWYFYSA-N 1 1 403.483 0.193 20 0 HCADMO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000498509946 1078682618 /nfs/dbraw/zinc/68/26/18/1078682618.db2.gz NHLZRDJQYNRBFW-RHSMWYFYSA-N 1 1 403.483 0.193 20 0 HCADMO C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000498509947 1078682566 /nfs/dbraw/zinc/68/25/66/1078682566.db2.gz NHLZRDJQYNRBFW-WMLDXEAASA-N 1 1 403.483 0.193 20 0 HCADMO C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000498509947 1078682564 /nfs/dbraw/zinc/68/25/64/1078682564.db2.gz NHLZRDJQYNRBFW-WMLDXEAASA-N 1 1 403.483 0.193 20 0 HCADMO C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000498509948 1078682638 /nfs/dbraw/zinc/68/26/38/1078682638.db2.gz NHLZRDJQYNRBFW-YOEHRIQHSA-N 1 1 403.483 0.193 20 0 HCADMO C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000498509948 1078682628 /nfs/dbraw/zinc/68/26/28/1078682628.db2.gz NHLZRDJQYNRBFW-YOEHRIQHSA-N 1 1 403.483 0.193 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000498512069 1078685873 /nfs/dbraw/zinc/68/58/73/1078685873.db2.gz YTTVKFAUNFQWIK-UHFFFAOYSA-N 1 1 414.466 0.071 20 0 HCADMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000498512228 1078686787 /nfs/dbraw/zinc/68/67/87/1078686787.db2.gz BAJFHDSRPXKAKE-UHFFFAOYSA-N 1 1 404.515 0.404 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000498523042 1073441024 /nfs/dbraw/zinc/44/10/24/1073441024.db2.gz IIOALDVQKJWLBR-UHFFFAOYSA-N 1 1 417.535 0.932 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000498523489 1078690386 /nfs/dbraw/zinc/69/03/86/1078690386.db2.gz RUUKJYXGZFSSBH-UHFFFAOYSA-N 1 1 423.564 0.750 20 0 HCADMO NS(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000498524655 1078691182 /nfs/dbraw/zinc/69/11/82/1078691182.db2.gz XWKDMOVSUZJWKP-UHFFFAOYSA-N 1 1 409.537 0.733 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000498526690 1078694098 /nfs/dbraw/zinc/69/40/98/1078694098.db2.gz WEGFZJCYMDFWJV-UHFFFAOYSA-N 1 1 421.523 0.867 20 0 HCADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000498527905 1073444280 /nfs/dbraw/zinc/44/42/80/1073444280.db2.gz HHHLKRQKTJDIBP-UHFFFAOYSA-N 1 1 408.462 0.554 20 0 HCADMO O=C(CNC(=O)NCc1ccco1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000498529468 1073444991 /nfs/dbraw/zinc/44/49/91/1073444991.db2.gz ZIPXNBQZAOOJOB-UHFFFAOYSA-N 1 1 400.483 0.802 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCCCN3CCN(c4cc[nH+]cc4)CC3)cnc21 ZINC000498531941 1078702556 /nfs/dbraw/zinc/70/25/56/1078702556.db2.gz OPROHORNSAZUKK-UHFFFAOYSA-N 1 1 423.477 0.371 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)NC(C)(C)C3=O)cc2)CC1 ZINC000498537047 1078700286 /nfs/dbraw/zinc/70/02/86/1078700286.db2.gz FQYFBAWZNPABRE-UHFFFAOYSA-N 1 1 401.511 0.771 20 0 HCADMO COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498552849 1078717390 /nfs/dbraw/zinc/71/73/90/1078717390.db2.gz CMDNNIFYRAOHIA-GOSISDBHSA-N 1 1 423.535 0.485 20 0 HCADMO COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000498552850 1078717422 /nfs/dbraw/zinc/71/74/22/1078717422.db2.gz CMDNNIFYRAOHIA-SFHVURJKSA-N 1 1 423.535 0.485 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1 ZINC000498555849 1078719106 /nfs/dbraw/zinc/71/91/06/1078719106.db2.gz STSXXNFGWXOQCX-INIZCTEOSA-N 1 1 412.487 0.576 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1 ZINC000498555851 1078719061 /nfs/dbraw/zinc/71/90/61/1078719061.db2.gz STSXXNFGWXOQCX-MRXNPFEDSA-N 1 1 412.487 0.576 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556082 1078720569 /nfs/dbraw/zinc/72/05/69/1078720569.db2.gz OFOFVYJMDKPUTJ-ILXRZTDVSA-N 1 1 408.524 0.628 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556083 1078720497 /nfs/dbraw/zinc/72/04/97/1078720497.db2.gz OFOFVYJMDKPUTJ-KKUMJFAQSA-N 1 1 408.524 0.628 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@H]1C ZINC000498556084 1078720513 /nfs/dbraw/zinc/72/05/13/1078720513.db2.gz OFOFVYJMDKPUTJ-QLFBSQMISA-N 1 1 408.524 0.628 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C[C@@H]1C ZINC000498556085 1078720547 /nfs/dbraw/zinc/72/05/47/1078720547.db2.gz OFOFVYJMDKPUTJ-SOUVJXGZSA-N 1 1 408.524 0.628 20 0 HCADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498556315 1078720561 /nfs/dbraw/zinc/72/05/61/1078720561.db2.gz HLLPRSSNPZERMU-GFCCVEGCSA-N 1 1 422.287 0.265 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000498556319 1078720486 /nfs/dbraw/zinc/72/04/86/1078720486.db2.gz HLLPRSSNPZERMU-LBPRGKRZSA-N 1 1 422.287 0.265 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@H]1C ZINC000498556778 1078720096 /nfs/dbraw/zinc/72/00/96/1078720096.db2.gz ROMYAKSOCLNPAW-CHWSQXEVSA-N 1 1 416.569 0.604 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@H]1C ZINC000498556779 1078719986 /nfs/dbraw/zinc/71/99/86/1078719986.db2.gz ROMYAKSOCLNPAW-OLZOCXBDSA-N 1 1 416.569 0.604 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@@H]1C ZINC000498556780 1078719909 /nfs/dbraw/zinc/71/99/09/1078719909.db2.gz ROMYAKSOCLNPAW-QWHCGFSZSA-N 1 1 416.569 0.604 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C[C@@H]1C ZINC000498556781 1078720055 /nfs/dbraw/zinc/72/00/55/1078720055.db2.gz ROMYAKSOCLNPAW-STQMWFEESA-N 1 1 416.569 0.604 20 0 HCADMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000498557488 1078721762 /nfs/dbraw/zinc/72/17/62/1078721762.db2.gz AHENELMIXRRQDA-FQEVSTJZSA-N 1 1 421.563 0.609 20 0 HCADMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000498557488 1078721759 /nfs/dbraw/zinc/72/17/59/1078721759.db2.gz AHENELMIXRRQDA-FQEVSTJZSA-N 1 1 421.563 0.609 20 0 HCADMO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000498557489 1078721715 /nfs/dbraw/zinc/72/17/15/1078721715.db2.gz AHENELMIXRRQDA-HXUWFJFHSA-N 1 1 421.563 0.609 20 0 HCADMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000498557489 1078721712 /nfs/dbraw/zinc/72/17/12/1078721712.db2.gz AHENELMIXRRQDA-HXUWFJFHSA-N 1 1 421.563 0.609 20 0 HCADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000498557721 1078721023 /nfs/dbraw/zinc/72/10/23/1078721023.db2.gz PAAVANKMBGQQAT-CALCHBBNSA-N 1 1 409.556 0.522 20 0 HCADMO Cn1c(C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557809 1078721170 /nfs/dbraw/zinc/72/11/70/1078721170.db2.gz BYOLMUSHCXJOMC-GOSISDBHSA-N 1 1 412.538 0.513 20 0 HCADMO Cn1c(C[N@@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557809 1078721159 /nfs/dbraw/zinc/72/11/59/1078721159.db2.gz BYOLMUSHCXJOMC-GOSISDBHSA-N 1 1 412.538 0.513 20 0 HCADMO Cn1c(C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557810 1078721207 /nfs/dbraw/zinc/72/12/07/1078721207.db2.gz BYOLMUSHCXJOMC-SFHVURJKSA-N 1 1 412.538 0.513 20 0 HCADMO Cn1c(C[N@@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc(=O)n(C)c1=O ZINC000498557810 1078721195 /nfs/dbraw/zinc/72/11/95/1078721195.db2.gz BYOLMUSHCXJOMC-SFHVURJKSA-N 1 1 412.538 0.513 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558012 1073495338 /nfs/dbraw/zinc/49/53/38/1073495338.db2.gz XTNQNTJJHFSCPN-CABCVRRESA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558013 1078730795 /nfs/dbraw/zinc/73/07/95/1078730795.db2.gz XTNQNTJJHFSCPN-GJZGRUSLSA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1C ZINC000498558014 1078730766 /nfs/dbraw/zinc/73/07/66/1078730766.db2.gz XTNQNTJJHFSCPN-HUUCEWRRSA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1C ZINC000498558015 1078730891 /nfs/dbraw/zinc/73/08/91/1078730891.db2.gz XTNQNTJJHFSCPN-LSDHHAIUSA-N 1 1 408.524 0.362 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000498558933 1078721726 /nfs/dbraw/zinc/72/17/26/1078721726.db2.gz YRYDSNDQYRNLFZ-CVEARBPZSA-N 1 1 412.556 0.820 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000498558942 1078721633 /nfs/dbraw/zinc/72/16/33/1078721633.db2.gz YRYDSNDQYRNLFZ-HOTGVXAUSA-N 1 1 412.556 0.820 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000498558943 1078721747 /nfs/dbraw/zinc/72/17/47/1078721747.db2.gz YRYDSNDQYRNLFZ-HZPDHXFCSA-N 1 1 412.556 0.820 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000498558944 1078721734 /nfs/dbraw/zinc/72/17/34/1078721734.db2.gz YRYDSNDQYRNLFZ-JKSUJKDBSA-N 1 1 412.556 0.820 20 0 HCADMO COCCn1cc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(=O)cc1C ZINC000498561664 1078722772 /nfs/dbraw/zinc/72/27/72/1078722772.db2.gz YEJZDESINYEONW-UHFFFAOYSA-N 1 1 400.483 0.622 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1 ZINC000498566990 1078730032 /nfs/dbraw/zinc/73/00/32/1078730032.db2.gz KHFWZXIGFVZGEE-CVYDXHPNSA-N 1 1 423.583 0.477 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC000498566991 1078729888 /nfs/dbraw/zinc/72/98/88/1078729888.db2.gz KHFWZXIGFVZGEE-MUQADHOPSA-N 1 1 423.583 0.477 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1 ZINC000498566992 1078729845 /nfs/dbraw/zinc/72/98/45/1078729845.db2.gz KHFWZXIGFVZGEE-NBOOPKSLSA-N 1 1 423.583 0.477 20 0 HCADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000498566993 1078729929 /nfs/dbraw/zinc/72/99/29/1078729929.db2.gz KHFWZXIGFVZGEE-OVWQWFNUSA-N 1 1 423.583 0.477 20 0 HCADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569672 1073514184 /nfs/dbraw/zinc/51/41/84/1073514184.db2.gz IANGINDORRLMOR-LEWJYISDSA-N 1 1 403.571 0.609 20 0 HCADMO O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569673 1073515038 /nfs/dbraw/zinc/51/50/38/1073515038.db2.gz IANGINDORRLMOR-NHCUHLMSSA-N 1 1 403.571 0.609 20 0 HCADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569674 1073514962 /nfs/dbraw/zinc/51/49/62/1073514962.db2.gz IANGINDORRLMOR-RTWAWAEBSA-N 1 1 403.571 0.609 20 0 HCADMO O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000498569675 1073514620 /nfs/dbraw/zinc/51/46/20/1073514620.db2.gz IANGINDORRLMOR-SFTDATJTSA-N 1 1 403.571 0.609 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC000498576933 1078735783 /nfs/dbraw/zinc/73/57/83/1078735783.db2.gz NRTDBQZOQGJXBO-CABCVRRESA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC000498576934 1078735732 /nfs/dbraw/zinc/73/57/32/1078735732.db2.gz NRTDBQZOQGJXBO-GJZGRUSLSA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC000498576935 1073560261 /nfs/dbraw/zinc/56/02/61/1073560261.db2.gz NRTDBQZOQGJXBO-HUUCEWRRSA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC000498576936 1073560405 /nfs/dbraw/zinc/56/04/05/1073560405.db2.gz NRTDBQZOQGJXBO-LSDHHAIUSA-N 1 1 408.524 0.362 20 0 HCADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577238 1078739465 /nfs/dbraw/zinc/73/94/65/1078739465.db2.gz NGCDPLVDWJACEI-BBWFWOEESA-N 1 1 401.573 0.943 20 0 HCADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577240 1078739499 /nfs/dbraw/zinc/73/94/99/1078739499.db2.gz NGCDPLVDWJACEI-BRWVUGGUSA-N 1 1 401.573 0.943 20 0 HCADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577242 1078739423 /nfs/dbraw/zinc/73/94/23/1078739423.db2.gz NGCDPLVDWJACEI-GVDBMIGSSA-N 1 1 401.573 0.943 20 0 HCADMO CC[N@@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000498577243 1078739535 /nfs/dbraw/zinc/73/95/35/1078739535.db2.gz NGCDPLVDWJACEI-ZACQAIPSSA-N 1 1 401.573 0.943 20 0 HCADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000498578992 1078742216 /nfs/dbraw/zinc/74/22/16/1078742216.db2.gz FGGJLJOHGNFNOZ-BZSNNMDCSA-N 1 1 408.543 0.605 20 0 HCADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCCC[C@H]1C ZINC000498578993 1078742070 /nfs/dbraw/zinc/74/20/70/1078742070.db2.gz FGGJLJOHGNFNOZ-FGTMMUONSA-N 1 1 408.543 0.605 20 0 HCADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000498578994 1078742156 /nfs/dbraw/zinc/74/21/56/1078742156.db2.gz FGGJLJOHGNFNOZ-OKZBNKHCSA-N 1 1 408.543 0.605 20 0 HCADMO C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCCC[C@H]1C ZINC000498578995 1078742194 /nfs/dbraw/zinc/74/21/94/1078742194.db2.gz FGGJLJOHGNFNOZ-SQNIBIBYSA-N 1 1 408.543 0.605 20 0 HCADMO Cc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000498580695 1078742176 /nfs/dbraw/zinc/74/21/76/1078742176.db2.gz NVIUKOHZAKTFCZ-UHFFFAOYSA-N 1 1 407.478 0.910 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@@H]1C ZINC000498582168 1078743528 /nfs/dbraw/zinc/74/35/28/1078743528.db2.gz CTDJWARQWPBPGL-KBPBESRZSA-N 1 1 402.499 0.932 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)C[C@H]1C ZINC000498582171 1078743578 /nfs/dbraw/zinc/74/35/78/1078743578.db2.gz CTDJWARQWPBPGL-KGLIPLIRSA-N 1 1 402.499 0.932 20 0 HCADMO CC(C)Cn1ncc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1C1CC1 ZINC000498588203 1078750089 /nfs/dbraw/zinc/75/00/89/1078750089.db2.gz CISQXLKARUNRTB-INIZCTEOSA-N 1 1 404.515 0.811 20 0 HCADMO CC(C)Cn1ncc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1C1CC1 ZINC000498588204 1078750036 /nfs/dbraw/zinc/75/00/36/1078750036.db2.gz CISQXLKARUNRTB-MRXNPFEDSA-N 1 1 404.515 0.811 20 0 HCADMO CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc2O1 ZINC000498589511 1078750607 /nfs/dbraw/zinc/75/06/07/1078750607.db2.gz RLARDXHSWNCNBP-HNNXBMFYSA-N 1 1 416.478 0.825 20 0 HCADMO CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000498589512 1078750564 /nfs/dbraw/zinc/75/05/64/1078750564.db2.gz RLARDXHSWNCNBP-OAHLLOKOSA-N 1 1 416.478 0.825 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000498590955 1073687141 /nfs/dbraw/zinc/68/71/41/1073687141.db2.gz XMOMUTLKRFXRDK-UHFFFAOYSA-N 1 1 411.524 0.529 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498591124 1078753361 /nfs/dbraw/zinc/75/33/61/1078753361.db2.gz JNMNGDIITAIAPW-CYBMUJFWSA-N 1 1 423.857 0.065 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000498591131 1078753568 /nfs/dbraw/zinc/75/35/68/1078753568.db2.gz JNMNGDIITAIAPW-ZDUSSCGKSA-N 1 1 423.857 0.065 20 0 HCADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2=O)c1 ZINC000498591337 1073703507 /nfs/dbraw/zinc/70/35/07/1073703507.db2.gz KPEPVHOCDKUZAP-KDOFPFPSSA-N 1 1 406.483 0.517 20 0 HCADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2=O)c1 ZINC000498591340 1073703541 /nfs/dbraw/zinc/70/35/41/1073703541.db2.gz KPEPVHOCDKUZAP-RDTXWAMCSA-N 1 1 406.483 0.517 20 0 HCADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2=O)c1 ZINC000498592298 1078746247 /nfs/dbraw/zinc/74/62/47/1078746247.db2.gz KPEPVHOCDKUZAP-KBXCAEBGSA-N 1 1 406.483 0.517 20 0 HCADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+](C[C@H](C)O)CC3)C2=O)c1 ZINC000498592299 1078746290 /nfs/dbraw/zinc/74/62/90/1078746290.db2.gz KPEPVHOCDKUZAP-KSSFIOAISA-N 1 1 406.483 0.517 20 0 HCADMO 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/nfs/dbraw/zinc/13/54/26/1079135426.db2.gz PROJFMCNFXMXDK-CABCVRRESA-N 1 1 404.492 0.980 20 0 HCADMO COCc1cnc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000499295661 1079135463 /nfs/dbraw/zinc/13/54/63/1079135463.db2.gz PROJFMCNFXMXDK-GJZGRUSLSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1cnc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000499295663 1079135603 /nfs/dbraw/zinc/13/56/03/1079135603.db2.gz PROJFMCNFXMXDK-HUUCEWRRSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1cnc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000499295665 1079135480 /nfs/dbraw/zinc/13/54/80/1079135480.db2.gz PROJFMCNFXMXDK-LSDHHAIUSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000499297638 1079136040 /nfs/dbraw/zinc/13/60/40/1079136040.db2.gz YYKYOXNLSLVDCL-CVEARBPZSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000499297639 1079136052 /nfs/dbraw/zinc/13/60/52/1079136052.db2.gz YYKYOXNLSLVDCL-HOTGVXAUSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1csc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000499297640 1079136044 /nfs/dbraw/zinc/13/60/44/1079136044.db2.gz YYKYOXNLSLVDCL-HZPDHXFCSA-N 1 1 404.492 0.980 20 0 HCADMO COCc1csc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000499297641 1079136035 /nfs/dbraw/zinc/13/60/35/1079136035.db2.gz YYKYOXNLSLVDCL-JKSUJKDBSA-N 1 1 404.492 0.980 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCC[C@H]3C(=O)NC)CC2)CC1 ZINC000499312182 1079138534 /nfs/dbraw/zinc/13/85/34/1079138534.db2.gz WTNAZJQLJCKOEA-MSOLQXFVSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CCC[C@H]3C(=O)NC)CC2)CC1 ZINC000499312184 1079138462 /nfs/dbraw/zinc/13/84/62/1079138462.db2.gz WTNAZJQLJCKOEA-QZTJIDSGSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CCC[C@@H]3C(=O)NC)CC2)CC1 ZINC000499312186 1079138993 /nfs/dbraw/zinc/13/89/93/1079138993.db2.gz WTNAZJQLJCKOEA-ROUUACIJSA-N 1 1 407.559 0.877 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CCC[C@@H]3C(=O)NC)CC2)CC1 ZINC000499312187 1079138937 /nfs/dbraw/zinc/13/89/37/1079138937.db2.gz WTNAZJQLJCKOEA-ZWKOTPCHSA-N 1 1 407.559 0.877 20 0 HCADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323392 1079144305 /nfs/dbraw/zinc/14/43/05/1079144305.db2.gz FYDCVXGKNMSVDE-FUHWJXTLSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323392 1079144303 /nfs/dbraw/zinc/14/43/03/1079144303.db2.gz FYDCVXGKNMSVDE-FUHWJXTLSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCN(C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323393 1079144384 /nfs/dbraw/zinc/14/43/84/1079144384.db2.gz FYDCVXGKNMSVDE-WMZOPIPTSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323393 1079144381 /nfs/dbraw/zinc/14/43/81/1079144381.db2.gz FYDCVXGKNMSVDE-WMZOPIPTSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323451 1079144277 /nfs/dbraw/zinc/14/42/77/1079144277.db2.gz FYDCVXGKNMSVDE-AEFFLSMTSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCN(C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323451 1079144271 /nfs/dbraw/zinc/14/42/71/1079144271.db2.gz FYDCVXGKNMSVDE-AEFFLSMTSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323452 1079144328 /nfs/dbraw/zinc/14/43/28/1079144328.db2.gz FYDCVXGKNMSVDE-SJLPKXTDSA-N 1 1 406.527 0.986 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCN(C[C@@H](C)O)CC3)C2)cc(OC)c1 ZINC000499323452 1079144325 /nfs/dbraw/zinc/14/43/25/1079144325.db2.gz FYDCVXGKNMSVDE-SJLPKXTDSA-N 1 1 406.527 0.986 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000499337335 1079147099 /nfs/dbraw/zinc/14/70/99/1079147099.db2.gz DIAPZVRWMIJETN-INIZCTEOSA-N 1 1 408.543 0.461 20 0 HCADMO 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/nfs/dbraw/zinc/42/55/90/1080425590.db2.gz RXBJCSRYNNHCNK-SFHVURJKSA-N 1 1 402.495 0.845 20 0 HCADMO CN(C)C(=O)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000499473386 1080427154 /nfs/dbraw/zinc/42/71/54/1080427154.db2.gz HDRHSSMALJHDJX-KRWDZBQOSA-N 1 1 408.543 0.465 20 0 HCADMO CN(C)C(=O)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000499473387 1080427282 /nfs/dbraw/zinc/42/72/82/1080427282.db2.gz HDRHSSMALJHDJX-QGZVFWFLSA-N 1 1 408.543 0.465 20 0 HCADMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCN(CCC(=O)OC)C3=O)CC2)cn1 ZINC000499496479 1080523321 /nfs/dbraw/zinc/52/33/21/1080523321.db2.gz FCDAYOZAPPMIJJ-KRWDZBQOSA-N 1 1 420.514 0.284 20 0 HCADMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCN(CCC(=O)OC)C3=O)CC2)cn1 ZINC000499496479 1080523307 /nfs/dbraw/zinc/52/33/07/1080523307.db2.gz FCDAYOZAPPMIJJ-KRWDZBQOSA-N 1 1 420.514 0.284 20 0 HCADMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCN(CCC(=O)OC)C3=O)CC2)cn1 ZINC000499496481 1080523533 /nfs/dbraw/zinc/52/35/33/1080523533.db2.gz 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1 422.551 0.657 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000499529364 1080581521 /nfs/dbraw/zinc/58/15/21/1080581521.db2.gz FXSYXJHQNILTME-MRXNPFEDSA-N 1 1 422.551 0.657 20 0 HCADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000499530903 1080585054 /nfs/dbraw/zinc/58/50/54/1080585054.db2.gz QQRXQCQSNDCTIS-UHFFFAOYSA-N 1 1 419.263 0.969 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000499532495 1080590885 /nfs/dbraw/zinc/59/08/85/1080590885.db2.gz NNUVEWSCDHLMKE-GOSISDBHSA-N 1 1 412.498 0.229 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000499532496 1080590719 /nfs/dbraw/zinc/59/07/19/1080590719.db2.gz NNUVEWSCDHLMKE-SFHVURJKSA-N 1 1 412.498 0.229 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000499532544 1080590388 /nfs/dbraw/zinc/59/03/88/1080590388.db2.gz OHNHPGJTJMFOMO-KRWDZBQOSA-N 1 1 422.551 0.657 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000499532545 1080590138 /nfs/dbraw/zinc/59/01/38/1080590138.db2.gz OHNHPGJTJMFOMO-QGZVFWFLSA-N 1 1 422.551 0.657 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000499532594 1080590188 /nfs/dbraw/zinc/59/01/88/1080590188.db2.gz OKCOTZADAJLQAT-KRWDZBQOSA-N 1 1 417.510 0.118 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000499532596 1080590405 /nfs/dbraw/zinc/59/04/05/1080590405.db2.gz OKCOTZADAJLQAT-QGZVFWFLSA-N 1 1 417.510 0.118 20 0 HCADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000499534136 1080592564 /nfs/dbraw/zinc/59/25/64/1080592564.db2.gz NKNHNHNKKBVXLD-UHFFFAOYSA-N 1 1 415.288 0.178 20 0 HCADMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000499534175 1080592742 /nfs/dbraw/zinc/59/27/42/1080592742.db2.gz WSROAFQYKISOJC-UHFFFAOYSA-N 1 1 410.272 0.761 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000499534342 1080595067 /nfs/dbraw/zinc/59/50/67/1080595067.db2.gz UKSUKSXKFDDKOS-KRWDZBQOSA-N 1 1 411.510 0.834 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000499534343 1080595247 /nfs/dbraw/zinc/59/52/47/1080595247.db2.gz UKSUKSXKFDDKOS-QGZVFWFLSA-N 1 1 411.510 0.834 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000499535581 1080595464 /nfs/dbraw/zinc/59/54/64/1080595464.db2.gz AQHYPFQCIPJSRE-KRWDZBQOSA-N 1 1 411.510 0.834 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 ZINC000499535582 1080595480 /nfs/dbraw/zinc/59/54/80/1080595480.db2.gz AQHYPFQCIPJSRE-QGZVFWFLSA-N 1 1 411.510 0.834 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000499536186 1080597176 /nfs/dbraw/zinc/59/71/76/1080597176.db2.gz AUHHMGWTHUOLFE-GOSISDBHSA-N 1 1 419.526 0.674 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000499536187 1080597285 /nfs/dbraw/zinc/59/72/85/1080597285.db2.gz AUHHMGWTHUOLFE-SFHVURJKSA-N 1 1 419.526 0.674 20 0 HCADMO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499536375 1080595911 /nfs/dbraw/zinc/59/59/11/1080595911.db2.gz IUGJPZDRVADLCG-GOSISDBHSA-N 1 1 401.511 0.613 20 0 HCADMO CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499536376 1080595834 /nfs/dbraw/zinc/59/58/34/1080595834.db2.gz IUGJPZDRVADLCG-SFHVURJKSA-N 1 1 401.511 0.613 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 ZINC000499537524 1080597298 /nfs/dbraw/zinc/59/72/98/1080597298.db2.gz IWGJQDAGZXECQA-UHFFFAOYSA-N 1 1 423.521 0.896 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000499537686 1080596706 /nfs/dbraw/zinc/59/67/06/1080596706.db2.gz PBOBUVDQPMNMNB-HNNXBMFYSA-N 1 1 405.474 0.492 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000499537688 1080596643 /nfs/dbraw/zinc/59/66/43/1080596643.db2.gz PBOBUVDQPMNMNB-OAHLLOKOSA-N 1 1 405.474 0.492 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000499538259 1080598519 /nfs/dbraw/zinc/59/85/19/1080598519.db2.gz LQUWORGTPZJMEO-KRWDZBQOSA-N 1 1 412.498 0.229 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 ZINC000499538261 1080598539 /nfs/dbraw/zinc/59/85/39/1080598539.db2.gz LQUWORGTPZJMEO-QGZVFWFLSA-N 1 1 412.498 0.229 20 0 HCADMO C[C@H]1COCC[N@H+]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000499538779 1080597962 /nfs/dbraw/zinc/59/79/62/1080597962.db2.gz SGAKWMKJGMNWGV-HNNXBMFYSA-N 1 1 424.523 0.045 20 0 HCADMO C[C@H]1COCC[N@@H+]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000499538779 1080597954 /nfs/dbraw/zinc/59/79/54/1080597954.db2.gz SGAKWMKJGMNWGV-HNNXBMFYSA-N 1 1 424.523 0.045 20 0 HCADMO C[C@@H]1COCC[N@H+]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000499538780 1080598088 /nfs/dbraw/zinc/59/80/88/1080598088.db2.gz SGAKWMKJGMNWGV-OAHLLOKOSA-N 1 1 424.523 0.045 20 0 HCADMO C[C@@H]1COCC[N@@H+]1CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000499538780 1080598079 /nfs/dbraw/zinc/59/80/79/1080598079.db2.gz SGAKWMKJGMNWGV-OAHLLOKOSA-N 1 1 424.523 0.045 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000499540350 1080602958 /nfs/dbraw/zinc/60/29/58/1080602958.db2.gz YOKMWLVPJGPDRB-KRWDZBQOSA-N 1 1 422.551 0.657 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000499540352 1080602872 /nfs/dbraw/zinc/60/28/72/1080602872.db2.gz YOKMWLVPJGPDRB-QGZVFWFLSA-N 1 1 422.551 0.657 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000499540771 1080605521 /nfs/dbraw/zinc/60/55/21/1080605521.db2.gz ZREAXLMQFFDJSN-GOSISDBHSA-N 1 1 401.511 0.613 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000499540773 1080605594 /nfs/dbraw/zinc/60/55/94/1080605594.db2.gz ZREAXLMQFFDJSN-SFHVURJKSA-N 1 1 401.511 0.613 20 0 HCADMO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000499545965 1080637641 /nfs/dbraw/zinc/63/76/41/1080637641.db2.gz QFQYEXCUMLYCPL-IBGZPJMESA-N 1 1 415.538 0.955 20 0 HCADMO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000499545966 1080637768 /nfs/dbraw/zinc/63/77/68/1080637768.db2.gz QFQYEXCUMLYCPL-LJQANCHMSA-N 1 1 415.538 0.955 20 0 HCADMO CN(C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000499546643 1080636915 /nfs/dbraw/zinc/63/69/15/1080636915.db2.gz ROTURFSYHOHQKM-KRWDZBQOSA-N 1 1 408.524 0.403 20 0 HCADMO CN(C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000499546647 1080636887 /nfs/dbraw/zinc/63/68/87/1080636887.db2.gz ROTURFSYHOHQKM-QGZVFWFLSA-N 1 1 408.524 0.403 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000499547781 1080635436 /nfs/dbraw/zinc/63/54/36/1080635436.db2.gz UMFPAMMBJCWISD-INIZCTEOSA-N 1 1 423.539 0.052 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000499547782 1080635353 /nfs/dbraw/zinc/63/53/53/1080635353.db2.gz UMFPAMMBJCWISD-MRXNPFEDSA-N 1 1 423.539 0.052 20 0 HCADMO CC(=O)N1CCCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000499550280 1080640600 /nfs/dbraw/zinc/64/06/00/1080640600.db2.gz SVASNUQULZYVJH-UHFFFAOYSA-N 1 1 401.511 0.838 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000499550534 1080640679 /nfs/dbraw/zinc/64/06/79/1080640679.db2.gz AUTGDBLVWFNIGO-INIZCTEOSA-N 1 1 415.494 0.585 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000499550538 1080640460 /nfs/dbraw/zinc/64/04/60/1080640460.db2.gz AUTGDBLVWFNIGO-MRXNPFEDSA-N 1 1 415.494 0.585 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CCN(c4cnccn4)CC3)cc2)CC1 ZINC000499550555 1080640441 /nfs/dbraw/zinc/64/04/41/1080640441.db2.gz AZBOQIORRFRYCJ-UHFFFAOYSA-N 1 1 423.521 0.896 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499551724 1080638305 /nfs/dbraw/zinc/63/83/05/1080638305.db2.gz ZWKLALXUVJCWRF-IBGZPJMESA-N 1 1 415.538 0.955 20 0 HCADMO CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499551725 1080638363 /nfs/dbraw/zinc/63/83/63/1080638363.db2.gz ZWKLALXUVJCWRF-LJQANCHMSA-N 1 1 415.538 0.955 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000499553237 1080661813 /nfs/dbraw/zinc/66/18/13/1080661813.db2.gz PSMBINXIWXFNOB-GOSISDBHSA-N 1 1 401.511 0.281 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 ZINC000499553238 1080662071 /nfs/dbraw/zinc/66/20/71/1080662071.db2.gz PSMBINXIWXFNOB-SFHVURJKSA-N 1 1 401.511 0.281 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc2oc1=O ZINC000499553828 1080648240 /nfs/dbraw/zinc/64/82/40/1080648240.db2.gz STGQHTNEYHZHCI-INIZCTEOSA-N 1 1 415.494 0.699 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc2oc1=O ZINC000499553829 1080648135 /nfs/dbraw/zinc/64/81/35/1080648135.db2.gz STGQHTNEYHZHCI-MRXNPFEDSA-N 1 1 415.494 0.699 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000499556212 1080665777 /nfs/dbraw/zinc/66/57/77/1080665777.db2.gz ZSFINPGLOQLMSZ-GOSISDBHSA-N 1 1 411.510 0.834 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000499556213 1080665523 /nfs/dbraw/zinc/66/55/23/1080665523.db2.gz ZSFINPGLOQLMSZ-SFHVURJKSA-N 1 1 411.510 0.834 20 0 HCADMO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000499559006 1080674835 /nfs/dbraw/zinc/67/48/35/1080674835.db2.gz MXLWIMXUTSAQKZ-KRWDZBQOSA-N 1 1 419.526 0.674 20 0 HCADMO COCCOc1ncccc1NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000499559008 1080674872 /nfs/dbraw/zinc/67/48/72/1080674872.db2.gz MXLWIMXUTSAQKZ-QGZVFWFLSA-N 1 1 419.526 0.674 20 0 HCADMO CNC(=O)c1ccc(CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000499560087 1080683082 /nfs/dbraw/zinc/68/30/82/1080683082.db2.gz PYRVKHPHTJWQGM-UHFFFAOYSA-N 1 1 401.511 0.742 20 0 HCADMO CCN(C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000499562325 1080684566 /nfs/dbraw/zinc/68/45/66/1080684566.db2.gz JLZOSKSQULJXMS-GOSISDBHSA-N 1 1 422.551 0.793 20 0 HCADMO CCN(C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000499562326 1080684769 /nfs/dbraw/zinc/68/47/69/1080684769.db2.gz JLZOSKSQULJXMS-SFHVURJKSA-N 1 1 422.551 0.793 20 0 HCADMO COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1=O ZINC000499565680 1080689674 /nfs/dbraw/zinc/68/96/74/1080689674.db2.gz AXIMMTOOEPZPKS-GOSISDBHSA-N 1 1 418.494 0.847 20 0 HCADMO COC(=O)CCN1CC[C@H](NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1=O ZINC000499565682 1080689613 /nfs/dbraw/zinc/68/96/13/1080689613.db2.gz AXIMMTOOEPZPKS-SFHVURJKSA-N 1 1 418.494 0.847 20 0 HCADMO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499569117 1080704694 /nfs/dbraw/zinc/70/46/94/1080704694.db2.gz AWECRHVVDBBZQI-IBGZPJMESA-N 1 1 416.522 0.969 20 0 HCADMO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000499569121 1080705094 /nfs/dbraw/zinc/70/50/94/1080705094.db2.gz AWECRHVVDBBZQI-LJQANCHMSA-N 1 1 416.522 0.969 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1C(N)=O ZINC000499572082 1080705531 /nfs/dbraw/zinc/70/55/31/1080705531.db2.gz KEGVCMYYDVXFCX-KRWDZBQOSA-N 1 1 401.511 0.661 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1C(N)=O ZINC000499572084 1080705662 /nfs/dbraw/zinc/70/56/62/1080705662.db2.gz KEGVCMYYDVXFCX-QGZVFWFLSA-N 1 1 401.511 0.661 20 0 HCADMO Cc1c(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)n(C)nc1C(F)(F)F ZINC000499572539 1080704497 /nfs/dbraw/zinc/70/44/97/1080704497.db2.gz PFMVTVDTRFVCIE-LLVKDONJSA-N 1 1 404.437 0.828 20 0 HCADMO Cc1c(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)n(C)nc1C(F)(F)F ZINC000499572550 1080704557 /nfs/dbraw/zinc/70/45/57/1080704557.db2.gz 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HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)CC1 ZINC000499587670 1080763210 /nfs/dbraw/zinc/76/32/10/1080763210.db2.gz SGNMRAFZEOEYPD-OXJNMPFZSA-N 1 1 402.539 0.716 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587671 1080763139 /nfs/dbraw/zinc/76/31/39/1080763139.db2.gz SGNMRAFZEOEYPD-OXQOHEQNSA-N 1 1 402.539 0.716 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)CC1 ZINC000499587672 1080763087 /nfs/dbraw/zinc/76/30/87/1080763087.db2.gz SGNMRAFZEOEYPD-UZLBHIALSA-N 1 1 402.539 0.716 20 0 HCADMO COC[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000499594584 1080766852 /nfs/dbraw/zinc/76/68/52/1080766852.db2.gz PADXIOSSXYKMGZ-INIZCTEOSA-N 1 1 414.528 0.532 20 0 HCADMO COC[C@@H](O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000499594584 1080766846 /nfs/dbraw/zinc/76/68/46/1080766846.db2.gz PADXIOSSXYKMGZ-INIZCTEOSA-N 1 1 414.528 0.532 20 0 HCADMO 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C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H]1c1ccccc1 ZINC000534021926 1074539518 /nfs/dbraw/zinc/53/95/18/1074539518.db2.gz PJUQZPZIWOSAJJ-VUHPKUFZSA-N 1 1 405.520 0.584 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H]1c1ccccc1 ZINC000534021927 1074539406 /nfs/dbraw/zinc/53/94/06/1074539406.db2.gz PJUQZPZIWOSAJJ-VXIBKDFQSA-N 1 1 405.520 0.584 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H]1c1ccccc1 ZINC000534021928 1074539452 /nfs/dbraw/zinc/53/94/52/1074539452.db2.gz PJUQZPZIWOSAJJ-VXNCWWDNSA-N 1 1 405.520 0.584 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069878 1074547402 /nfs/dbraw/zinc/54/74/02/1074547402.db2.gz IUCPUNWKUKLNIH-MSOLQXFVSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069878 1074547390 /nfs/dbraw/zinc/54/73/90/1074547390.db2.gz IUCPUNWKUKLNIH-MSOLQXFVSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069879 1074547505 /nfs/dbraw/zinc/54/75/05/1074547505.db2.gz IUCPUNWKUKLNIH-QZTJIDSGSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069879 1074547496 /nfs/dbraw/zinc/54/74/96/1074547496.db2.gz IUCPUNWKUKLNIH-QZTJIDSGSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069880 1074547469 /nfs/dbraw/zinc/54/74/69/1074547469.db2.gz IUCPUNWKUKLNIH-ROUUACIJSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069880 1074547459 /nfs/dbraw/zinc/54/74/59/1074547459.db2.gz IUCPUNWKUKLNIH-ROUUACIJSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069881 1074548094 /nfs/dbraw/zinc/54/80/94/1074548094.db2.gz IUCPUNWKUKLNIH-ZWKOTPCHSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000534069881 1074548092 /nfs/dbraw/zinc/54/80/92/1074548092.db2.gz IUCPUNWKUKLNIH-ZWKOTPCHSA-N 1 1 414.491 0.576 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534084074 1074546874 /nfs/dbraw/zinc/54/68/74/1074546874.db2.gz DODUAORNCSLGKE-CVEARBPZSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534084074 1074546868 /nfs/dbraw/zinc/54/68/68/1074546868.db2.gz DODUAORNCSLGKE-CVEARBPZSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534084100 1074546974 /nfs/dbraw/zinc/54/69/74/1074546974.db2.gz DODUAORNCSLGKE-HOTGVXAUSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534084100 1074546970 /nfs/dbraw/zinc/54/69/70/1074546970.db2.gz DODUAORNCSLGKE-HOTGVXAUSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534084104 1074546899 /nfs/dbraw/zinc/54/68/99/1074546899.db2.gz DODUAORNCSLGKE-HZPDHXFCSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534084104 1074546890 /nfs/dbraw/zinc/54/68/90/1074546890.db2.gz DODUAORNCSLGKE-HZPDHXFCSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534084106 1074546831 /nfs/dbraw/zinc/54/68/31/1074546831.db2.gz DODUAORNCSLGKE-JKSUJKDBSA-N 1 1 407.492 0.725 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534084106 1074546820 /nfs/dbraw/zinc/54/68/20/1074546820.db2.gz DODUAORNCSLGKE-JKSUJKDBSA-N 1 1 407.492 0.725 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534087143 1074549326 /nfs/dbraw/zinc/54/93/26/1074549326.db2.gz WSTDNVYCJOREMT-CVEARBPZSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534087143 1074549317 /nfs/dbraw/zinc/54/93/17/1074549317.db2.gz WSTDNVYCJOREMT-CVEARBPZSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534087144 1074550129 /nfs/dbraw/zinc/55/01/29/1074550129.db2.gz WSTDNVYCJOREMT-HOTGVXAUSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534087144 1074550126 /nfs/dbraw/zinc/55/01/26/1074550126.db2.gz WSTDNVYCJOREMT-HOTGVXAUSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534087145 1074549985 /nfs/dbraw/zinc/54/99/85/1074549985.db2.gz WSTDNVYCJOREMT-HZPDHXFCSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534087145 1074549973 /nfs/dbraw/zinc/54/99/73/1074549973.db2.gz WSTDNVYCJOREMT-HZPDHXFCSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000534087146 1074549788 /nfs/dbraw/zinc/54/97/88/1074549788.db2.gz WSTDNVYCJOREMT-JKSUJKDBSA-N 1 1 406.508 0.298 20 0 HCADMO CNC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000534087146 1074549781 /nfs/dbraw/zinc/54/97/81/1074549781.db2.gz WSTDNVYCJOREMT-JKSUJKDBSA-N 1 1 406.508 0.298 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095911 1074551807 /nfs/dbraw/zinc/55/18/07/1074551807.db2.gz ADIUICISYUCNQN-HNNXBMFYSA-N 1 1 408.462 0.889 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)Cc1ccccc1 ZINC000534095912 1074551638 /nfs/dbraw/zinc/55/16/38/1074551638.db2.gz ADIUICISYUCNQN-OAHLLOKOSA-N 1 1 408.462 0.889 20 0 HCADMO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534096174 1074552465 /nfs/dbraw/zinc/55/24/65/1074552465.db2.gz FIXOVMHPDIUORU-CYBMUJFWSA-N 1 1 402.455 0.170 20 0 HCADMO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534096175 1074552345 /nfs/dbraw/zinc/55/23/45/1074552345.db2.gz FIXOVMHPDIUORU-ZDUSSCGKSA-N 1 1 402.455 0.170 20 0 HCADMO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534096355 1074552587 /nfs/dbraw/zinc/55/25/87/1074552587.db2.gz CCCWFDYCGNTOFA-UHFFFAOYSA-N 1 1 402.455 0.217 20 0 HCADMO CCOCCOCc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000534098220 1074554210 /nfs/dbraw/zinc/55/42/10/1074554210.db2.gz GOLRGBHZVBCSAK-UHFFFAOYSA-N 1 1 418.494 0.530 20 0 HCADMO NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)cc21 ZINC000534098417 1074554160 /nfs/dbraw/zinc/55/41/60/1074554160.db2.gz LDYCDZYJEXPWIC-UHFFFAOYSA-N 1 1 414.466 0.362 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2nc1C1CC1 ZINC000534098763 1074553745 /nfs/dbraw/zinc/55/37/45/1074553745.db2.gz OXYIMTZNAXQGJL-UHFFFAOYSA-N 1 1 412.494 0.670 20 0 HCADMO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000534098776 1074553641 /nfs/dbraw/zinc/55/36/41/1074553641.db2.gz PNEIZXOXKHGNGI-UHFFFAOYSA-N 1 1 416.482 0.606 20 0 HCADMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534099789 1074554475 /nfs/dbraw/zinc/55/44/75/1074554475.db2.gz CBWLNAUWCRAGHV-AWEZNQCLSA-N 1 1 415.494 0.708 20 0 HCADMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534099790 1074554512 /nfs/dbraw/zinc/55/45/12/1074554512.db2.gz CBWLNAUWCRAGHV-CQSZACIVSA-N 1 1 415.494 0.708 20 0 HCADMO CCOc1ccc([C@@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534100155 1074555532 /nfs/dbraw/zinc/55/55/32/1074555532.db2.gz WINOGKIYWCMZOO-CYBMUJFWSA-N 1 1 404.467 0.945 20 0 HCADMO CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1OC ZINC000534100156 1074555486 /nfs/dbraw/zinc/55/54/86/1074555486.db2.gz WINOGKIYWCMZOO-ZDUSSCGKSA-N 1 1 404.467 0.945 20 0 HCADMO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CC1)NC(=O)NC2=O ZINC000534100390 1074555501 /nfs/dbraw/zinc/55/55/01/1074555501.db2.gz GTFWGBKIJWFHPO-INIZCTEOSA-N 1 1 413.522 0.830 20 0 HCADMO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CC1)NC(=O)NC2=O ZINC000534100392 1074555465 /nfs/dbraw/zinc/55/54/65/1074555465.db2.gz GTFWGBKIJWFHPO-MRXNPFEDSA-N 1 1 413.522 0.830 20 0 HCADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000534101026 1074554954 /nfs/dbraw/zinc/55/49/54/1074554954.db2.gz YRFCRMVHJDYECA-UHFFFAOYSA-N 1 1 413.522 0.703 20 0 HCADMO CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000534101420 1074555840 /nfs/dbraw/zinc/55/58/40/1074555840.db2.gz HNEFLLPILLRTAG-HNNXBMFYSA-N 1 1 418.494 0.718 20 0 HCADMO CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000534101421 1074555952 /nfs/dbraw/zinc/55/59/52/1074555952.db2.gz HNEFLLPILLRTAG-OAHLLOKOSA-N 1 1 418.494 0.718 20 0 HCADMO COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534101557 1074555881 /nfs/dbraw/zinc/55/58/81/1074555881.db2.gz 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418.494 0.861 20 0 HCADMO CCOC(=O)CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000534103888 1074557369 /nfs/dbraw/zinc/55/73/69/1074557369.db2.gz FXDNOVUUFKXHJT-OAHLLOKOSA-N 1 1 418.494 0.861 20 0 HCADMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534104573 1074548696 /nfs/dbraw/zinc/54/86/96/1074548696.db2.gz NPWBRBXDNPULHL-DLBZAZTESA-N 1 1 408.458 0.854 20 0 HCADMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534104576 1074548514 /nfs/dbraw/zinc/54/85/14/1074548514.db2.gz NPWBRBXDNPULHL-IAGOWNOFSA-N 1 1 408.458 0.854 20 0 HCADMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534104579 1074548725 /nfs/dbraw/zinc/54/87/25/1074548725.db2.gz NPWBRBXDNPULHL-IRXDYDNUSA-N 1 1 408.458 0.854 20 0 HCADMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534104580 1074548830 /nfs/dbraw/zinc/54/88/30/1074548830.db2.gz NPWBRBXDNPULHL-SJORKVTESA-N 1 1 408.458 0.854 20 0 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0.985 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534110726 1074567972 /nfs/dbraw/zinc/56/79/72/1074567972.db2.gz CEBWKMNHCZLYGB-OALUTQOASA-N 1 1 412.490 0.985 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534110727 1074568331 /nfs/dbraw/zinc/56/83/31/1074568331.db2.gz CEBWKMNHCZLYGB-RBUKOAKNSA-N 1 1 412.490 0.985 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534110728 1074568215 /nfs/dbraw/zinc/56/82/15/1074568215.db2.gz CEBWKMNHCZLYGB-RTBURBONSA-N 1 1 412.490 0.985 20 0 HCADMO CCN(CC(=O)NCc1cccs1)C(=O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC000534110821 1074568442 /nfs/dbraw/zinc/56/84/42/1074568442.db2.gz SWECNHYLOSAQLX-UHFFFAOYSA-N 1 1 404.540 0.769 20 0 HCADMO CCCCn1c2nc(CN3CCN(c4[nH+]ccn4C)CC3)n(C)c2c(=O)[nH]c1=O ZINC000534110922 1074568298 /nfs/dbraw/zinc/56/82/98/1074568298.db2.gz RJCPGJYZZXAQRB-UHFFFAOYSA-N 1 1 400.487 0.691 20 0 HCADMO Cn1cc[nH+]c1N1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000534111171 1074557982 /nfs/dbraw/zinc/55/79/82/1074557982.db2.gz YMLSKJHYZFRBPA-UHFFFAOYSA-N 1 1 410.522 0.981 20 0 HCADMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000534111264 1074557875 /nfs/dbraw/zinc/55/78/75/1074557875.db2.gz XFBVEPCTDGBRNT-ABSDTBQOSA-N 1 1 417.506 0.590 20 0 HCADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000534111265 1074558042 /nfs/dbraw/zinc/55/80/42/1074558042.db2.gz XFBVEPCTDGBRNT-QKLQHJQFSA-N 1 1 417.506 0.590 20 0 HCADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000534111266 1074557926 /nfs/dbraw/zinc/55/79/26/1074557926.db2.gz XFBVEPCTDGBRNT-SQGPQFPESA-N 1 1 417.506 0.590 20 0 HCADMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000534111267 1074558522 /nfs/dbraw/zinc/55/85/22/1074558522.db2.gz XFBVEPCTDGBRNT-ZWOKBUDYSA-N 1 1 417.506 0.590 20 0 HCADMO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000534111507 1074558699 /nfs/dbraw/zinc/55/86/99/1074558699.db2.gz QGFIJGNSFAVHHG-HKUYNNGSSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000534111508 1074558610 /nfs/dbraw/zinc/55/86/10/1074558610.db2.gz QGFIJGNSFAVHHG-IEBWSBKVSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000534111509 1074558798 /nfs/dbraw/zinc/55/87/98/1074558798.db2.gz QGFIJGNSFAVHHG-MJGOQNOKSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000534111510 1074558812 /nfs/dbraw/zinc/55/88/12/1074558812.db2.gz QGFIJGNSFAVHHG-PKOBYXMFSA-N 1 1 409.552 0.753 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534111622 1074558750 /nfs/dbraw/zinc/55/87/50/1074558750.db2.gz VDHCXMJNJONGCQ-BZSNNMDCSA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534111623 1074558420 /nfs/dbraw/zinc/55/84/20/1074558420.db2.gz VDHCXMJNJONGCQ-KSZLIROESA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534111624 1074558493 /nfs/dbraw/zinc/55/84/93/1074558493.db2.gz VDHCXMJNJONGCQ-OKZBNKHCSA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000534111625 1074558680 /nfs/dbraw/zinc/55/86/80/1074558680.db2.gz VDHCXMJNJONGCQ-RCCFBDPRSA-N 1 1 410.540 0.345 20 0 HCADMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCN(c4ccccc4F)CC3)CC2)C1=O ZINC000534117759 1074561288 /nfs/dbraw/zinc/56/12/88/1074561288.db2.gz KUDJUVXHVBLJOP-UHFFFAOYSA-N 1 1 403.458 0.491 20 0 HCADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117993 1074561314 /nfs/dbraw/zinc/56/13/14/1074561314.db2.gz IRUAQMBISJAEDA-CVEARBPZSA-N 1 1 407.421 0.838 20 0 HCADMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117997 1074561253 /nfs/dbraw/zinc/56/12/53/1074561253.db2.gz IRUAQMBISJAEDA-HOTGVXAUSA-N 1 1 407.421 0.838 20 0 HCADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117998 1074561188 /nfs/dbraw/zinc/56/11/88/1074561188.db2.gz IRUAQMBISJAEDA-HZPDHXFCSA-N 1 1 407.421 0.838 20 0 HCADMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000534117999 1074561297 /nfs/dbraw/zinc/56/12/97/1074561297.db2.gz IRUAQMBISJAEDA-JKSUJKDBSA-N 1 1 407.421 0.838 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118082 1074560855 /nfs/dbraw/zinc/56/08/55/1074560855.db2.gz MZDCBOCPHAHSOY-AEFFLSMTSA-N 1 1 413.522 0.782 20 0 HCADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118083 1074560700 /nfs/dbraw/zinc/56/07/00/1074560700.db2.gz MZDCBOCPHAHSOY-FUHWJXTLSA-N 1 1 413.522 0.782 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118084 1074561641 /nfs/dbraw/zinc/56/16/41/1074561641.db2.gz MZDCBOCPHAHSOY-SJLPKXTDSA-N 1 1 413.522 0.782 20 0 HCADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534118085 1074562012 /nfs/dbraw/zinc/56/20/12/1074562012.db2.gz MZDCBOCPHAHSOY-WMZOPIPTSA-N 1 1 413.522 0.782 20 0 HCADMO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC ZINC000534118088 1074561990 /nfs/dbraw/zinc/56/19/90/1074561990.db2.gz NBZKWUWLMVWRCP-CYBMUJFWSA-N 1 1 404.467 0.725 20 0 HCADMO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC ZINC000534118089 1074561778 /nfs/dbraw/zinc/56/17/78/1074561778.db2.gz NBZKWUWLMVWRCP-ZDUSSCGKSA-N 1 1 404.467 0.725 20 0 HCADMO CN1C(=O)NC2(CC[NH+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)C1=O ZINC000534118548 1074561961 /nfs/dbraw/zinc/56/19/61/1074561961.db2.gz PXQMCCWGDIAVEX-UHFFFAOYSA-N 1 1 405.430 0.050 20 0 HCADMO CN1C(=O)NC2(CC[NH+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)C1=O ZINC000534118641 1074562720 /nfs/dbraw/zinc/56/27/20/1074562720.db2.gz VDVYQZZJXHOHPF-UHFFFAOYSA-N 1 1 413.478 0.211 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534118723 1074561703 /nfs/dbraw/zinc/56/17/03/1074561703.db2.gz FRBLIESIEFEZDD-CVEARBPZSA-N 1 1 414.437 0.615 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534118727 1074561813 /nfs/dbraw/zinc/56/18/13/1074561813.db2.gz FRBLIESIEFEZDD-HOTGVXAUSA-N 1 1 414.437 0.615 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534118729 1074561741 /nfs/dbraw/zinc/56/17/41/1074561741.db2.gz FRBLIESIEFEZDD-HZPDHXFCSA-N 1 1 414.437 0.615 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000534118731 1074561942 /nfs/dbraw/zinc/56/19/42/1074561942.db2.gz FRBLIESIEFEZDD-JKSUJKDBSA-N 1 1 414.437 0.615 20 0 HCADMO COc1cccc(CN(C)C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1OC ZINC000534119077 1074561887 /nfs/dbraw/zinc/56/18/87/1074561887.db2.gz XBCSYVHVCNPCPH-UHFFFAOYSA-N 1 1 404.467 0.678 20 0 HCADMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534119107 1074562661 /nfs/dbraw/zinc/56/26/61/1074562661.db2.gz XYWHZPOUKQGPJD-HNNXBMFYSA-N 1 1 415.494 0.763 20 0 HCADMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000534119108 1074563124 /nfs/dbraw/zinc/56/31/24/1074563124.db2.gz XYWHZPOUKQGPJD-OAHLLOKOSA-N 1 1 415.494 0.763 20 0 HCADMO CN1C(=O)NC2(CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000534119110 1074563247 /nfs/dbraw/zinc/56/32/47/1074563247.db2.gz YDCHRTMZUAHHSV-UHFFFAOYSA-N 1 1 417.422 0.122 20 0 HCADMO CC(C)Cn1ncc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1C(F)F ZINC000534120348 1074563890 /nfs/dbraw/zinc/56/38/90/1074563890.db2.gz CZQXLPCYLUTQGK-GOSISDBHSA-N 1 1 417.457 0.615 20 0 HCADMO CC(C)Cn1ncc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1C(F)F ZINC000534120349 1074564118 /nfs/dbraw/zinc/56/41/18/1074564118.db2.gz CZQXLPCYLUTQGK-SFHVURJKSA-N 1 1 417.457 0.615 20 0 HCADMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3ccc4n[nH]c(C(N)=O)c4c3)CC2)c1 ZINC000534120642 1074563148 /nfs/dbraw/zinc/56/31/48/1074563148.db2.gz MHPZDRXBJPTOCL-UHFFFAOYSA-N 1 1 407.434 0.653 20 0 HCADMO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534121073 1074563300 /nfs/dbraw/zinc/56/33/00/1074563300.db2.gz MPXYVOGPXKEBMW-CVEARBPZSA-N 1 1 424.457 0.822 20 0 HCADMO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534121076 1074563187 /nfs/dbraw/zinc/56/31/87/1074563187.db2.gz MPXYVOGPXKEBMW-HOTGVXAUSA-N 1 1 424.457 0.822 20 0 HCADMO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534121077 1074563426 /nfs/dbraw/zinc/56/34/26/1074563426.db2.gz MPXYVOGPXKEBMW-HZPDHXFCSA-N 1 1 424.457 0.822 20 0 HCADMO Cn1c(=O)oc2c1cccc2NC(=O)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534121079 1074563331 /nfs/dbraw/zinc/56/33/31/1074563331.db2.gz MPXYVOGPXKEBMW-JKSUJKDBSA-N 1 1 424.457 0.822 20 0 HCADMO 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O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122773 1074564653 /nfs/dbraw/zinc/56/46/53/1074564653.db2.gz IPIOOPRPGCAKDQ-IAGOWNOFSA-N 1 1 421.461 0.352 20 0 HCADMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122774 1074564696 /nfs/dbraw/zinc/56/46/96/1074564696.db2.gz IPIOOPRPGCAKDQ-IRXDYDNUSA-N 1 1 421.461 0.352 20 0 HCADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 ZINC000534122775 1074564434 /nfs/dbraw/zinc/56/44/34/1074564434.db2.gz IPIOOPRPGCAKDQ-SJORKVTESA-N 1 1 421.461 0.352 20 0 HCADMO CN1C(=O)NC2(CC[NH+](CC(=O)N3CCN(Cc4cccs4)CC3)CC2)C1=O ZINC000534124608 1074565299 /nfs/dbraw/zinc/56/52/99/1074565299.db2.gz XJZJNVZXQCJUCT-UHFFFAOYSA-N 1 1 405.524 0.409 20 0 HCADMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1O ZINC000534125934 1074565613 /nfs/dbraw/zinc/56/56/13/1074565613.db2.gz ITPWVRGSPOLPMM-DAYGRLMNSA-N 1 1 411.524 0.737 20 0 HCADMO 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COc1cc(C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C2CC2)ccc1O ZINC000534131767 1074573612 /nfs/dbraw/zinc/57/36/12/1074573612.db2.gz UVZVTQLADVQIAB-UHFFFAOYSA-N 1 1 404.511 0.598 20 0 HCADMO Cn1cc[nH+]c1N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000534132131 1074574055 /nfs/dbraw/zinc/57/40/55/1074574055.db2.gz SQXXWAQWKFPBPB-UHFFFAOYSA-N 1 1 419.507 0.403 20 0 HCADMO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(c4[nH+]ccn4C)CC3)ccc2O1 ZINC000534132183 1074574110 /nfs/dbraw/zinc/57/41/10/1074574110.db2.gz WWFRZVVIVQKIGX-KRWDZBQOSA-N 1 1 420.491 0.798 20 0 HCADMO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(c4[nH+]ccn4C)CC3)ccc2O1 ZINC000534132184 1074574127 /nfs/dbraw/zinc/57/41/27/1074574127.db2.gz WWFRZVVIVQKIGX-QGZVFWFLSA-N 1 1 420.491 0.798 20 0 HCADMO NS(=O)(=O)CC1CC[NH+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000534140775 1074568784 /nfs/dbraw/zinc/56/87/84/1074568784.db2.gz FYEQGMOTSRPOGL-UHFFFAOYSA-N 1 1 422.551 0.408 20 0 HCADMO NS(=O)(=O)CC1CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000534140789 1074569106 /nfs/dbraw/zinc/56/91/06/1074569106.db2.gz GWWYXTBNSAFLTM-UHFFFAOYSA-N 1 1 414.959 0.989 20 0 HCADMO COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(CS(N)(=O)=O)CC2)cc1OC ZINC000534141359 1074569652 /nfs/dbraw/zinc/56/96/52/1074569652.db2.gz TVZGAKDBCWFSLM-AWEZNQCLSA-N 1 1 413.540 0.752 20 0 HCADMO COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC(CS(N)(=O)=O)CC2)cc1OC ZINC000534141363 1074569458 /nfs/dbraw/zinc/56/94/58/1074569458.db2.gz TVZGAKDBCWFSLM-CQSZACIVSA-N 1 1 413.540 0.752 20 0 HCADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 ZINC000534141413 1074570092 /nfs/dbraw/zinc/57/00/92/1074570092.db2.gz HZXNEMZALFIZHL-UHFFFAOYSA-N 1 1 408.568 0.782 20 0 HCADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141654 1074569470 /nfs/dbraw/zinc/56/94/70/1074569470.db2.gz KWLHTRMTKOAVJL-KRWDZBQOSA-N 1 1 409.508 0.113 20 0 HCADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141658 1074569585 /nfs/dbraw/zinc/56/95/85/1074569585.db2.gz KWLHTRMTKOAVJL-QGZVFWFLSA-N 1 1 409.508 0.113 20 0 HCADMO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141707 1074569708 /nfs/dbraw/zinc/56/97/08/1074569708.db2.gz SUQGOLQPNRBHRV-HNNXBMFYSA-N 1 1 412.531 0.863 20 0 HCADMO C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534141708 1074569525 /nfs/dbraw/zinc/56/95/25/1074569525.db2.gz SUQGOLQPNRBHRV-OAHLLOKOSA-N 1 1 412.531 0.863 20 0 HCADMO NS(=O)(=O)CC1CC[NH+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000534141893 1074568920 /nfs/dbraw/zinc/56/89/20/1074568920.db2.gz ZZUFKZQHPPSGNN-UHFFFAOYSA-N 1 1 414.553 0.033 20 0 HCADMO CCCCS(=O)(=O)NCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000534144421 1074570650 /nfs/dbraw/zinc/57/06/50/1074570650.db2.gz JEYHRIZYHWULLH-UHFFFAOYSA-N 1 1 400.520 0.783 20 0 HCADMO CCCCS(=O)(=O)NCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000534147129 1074577200 /nfs/dbraw/zinc/57/72/00/1074577200.db2.gz LTXLACACSDRXDT-UHFFFAOYSA-N 1 1 402.561 0.109 20 0 HCADMO CCCCS(=O)(=O)NCC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000534148118 1074577692 /nfs/dbraw/zinc/57/76/92/1074577692.db2.gz TXETTXWWURPZEA-UHFFFAOYSA-N 1 1 410.540 0.661 20 0 HCADMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(c3ncccc3F)CC1)c(=O)n2C ZINC000534150951 1074578350 /nfs/dbraw/zinc/57/83/50/1074578350.db2.gz MLBQHLCPKZXXMC-UHFFFAOYSA-N 1 1 401.446 0.180 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CC1 ZINC000534152923 1074575209 /nfs/dbraw/zinc/57/52/09/1074575209.db2.gz VEOXCXJKTLQVGZ-UHFFFAOYSA-N 1 1 412.494 0.754 20 0 HCADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)Nc2c3c(nn2C)CCC3)CC1 ZINC000534177456 1074578743 /nfs/dbraw/zinc/57/87/43/1074578743.db2.gz WLNXESRSYRGCHD-IYBDPMFKSA-N 1 1 402.543 0.864 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178488 1074579430 /nfs/dbraw/zinc/57/94/30/1074579430.db2.gz VKMQGXIDDYXVLY-KRWDZBQOSA-N 1 1 406.506 0.995 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2ncccc2F)CC1 ZINC000534178491 1074579386 /nfs/dbraw/zinc/57/93/86/1074579386.db2.gz VKMQGXIDDYXVLY-QGZVFWFLSA-N 1 1 406.506 0.995 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181226 1074580079 /nfs/dbraw/zinc/58/00/79/1074580079.db2.gz HMDMDAPRGDIQKU-MOPGFXCFSA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181240 1074579796 /nfs/dbraw/zinc/57/97/96/1074579796.db2.gz HMDMDAPRGDIQKU-OALUTQOASA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534181243 1074579902 /nfs/dbraw/zinc/57/99/02/1074579902.db2.gz HMDMDAPRGDIQKU-RBUKOAKNSA-N 1 1 404.511 0.018 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534181244 1074579848 /nfs/dbraw/zinc/57/98/48/1074579848.db2.gz HMDMDAPRGDIQKU-RTBURBONSA-N 1 1 404.511 0.018 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000534181325 1074580032 /nfs/dbraw/zinc/58/00/32/1074580032.db2.gz INWBUOXMMLPDMY-CVEARBPZSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000534181334 1074579874 /nfs/dbraw/zinc/57/98/74/1074579874.db2.gz INWBUOXMMLPDMY-HOTGVXAUSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000534181336 1074579991 /nfs/dbraw/zinc/57/99/91/1074579991.db2.gz INWBUOXMMLPDMY-HZPDHXFCSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000534181338 1074580133 /nfs/dbraw/zinc/58/01/33/1074580133.db2.gz INWBUOXMMLPDMY-JKSUJKDBSA-N 1 1 407.492 0.801 20 0 HCADMO COCCn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182357 1074580818 /nfs/dbraw/zinc/58/08/18/1074580818.db2.gz OMKPDILVVAENHP-MSOLQXFVSA-N 1 1 400.479 0.503 20 0 HCADMO COCCn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1=O ZINC000534182358 1074580485 /nfs/dbraw/zinc/58/04/85/1074580485.db2.gz OMKPDILVVAENHP-QZTJIDSGSA-N 1 1 400.479 0.503 20 0 HCADMO COCCn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182359 1074580767 /nfs/dbraw/zinc/58/07/67/1074580767.db2.gz OMKPDILVVAENHP-ROUUACIJSA-N 1 1 400.479 0.503 20 0 HCADMO COCCn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1=O ZINC000534182360 1074580537 /nfs/dbraw/zinc/58/05/37/1074580537.db2.gz OMKPDILVVAENHP-ZWKOTPCHSA-N 1 1 400.479 0.503 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534182654 1074580106 /nfs/dbraw/zinc/58/01/06/1074580106.db2.gz RDDIIGRLFYZFBG-HKUYNNGSSA-N 1 1 409.490 0.873 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534182657 1074579960 /nfs/dbraw/zinc/57/99/60/1074579960.db2.gz RDDIIGRLFYZFBG-IEBWSBKVSA-N 1 1 409.490 0.873 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534182659 1074580160 /nfs/dbraw/zinc/58/01/60/1074580160.db2.gz RDDIIGRLFYZFBG-MJGOQNOKSA-N 1 1 409.490 0.873 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000534182661 1074580668 /nfs/dbraw/zinc/58/06/68/1074580668.db2.gz RDDIIGRLFYZFBG-PKOBYXMFSA-N 1 1 409.490 0.873 20 0 HCADMO Cn1ncc2c1ncn(CC(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183165 1074580792 /nfs/dbraw/zinc/58/07/92/1074580792.db2.gz AOWKLRVBVOMBQU-AEFFLSMTSA-N 1 1 410.478 0.129 20 0 HCADMO Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183168 1074580704 /nfs/dbraw/zinc/58/07/04/1074580704.db2.gz AOWKLRVBVOMBQU-FUHWJXTLSA-N 1 1 410.478 0.129 20 0 HCADMO Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)c2=O ZINC000534183169 1074580601 /nfs/dbraw/zinc/58/06/01/1074580601.db2.gz AOWKLRVBVOMBQU-SJLPKXTDSA-N 1 1 410.478 0.129 20 0 HCADMO Cn1ncc2c1ncn(CC(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)c2=O ZINC000534183171 1074580755 /nfs/dbraw/zinc/58/07/55/1074580755.db2.gz AOWKLRVBVOMBQU-WMZOPIPTSA-N 1 1 410.478 0.129 20 0 HCADMO O=C(CSCC(=O)N1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534183179 1074580686 /nfs/dbraw/zinc/58/06/86/1074580686.db2.gz AQIHXRQVKFDFRW-MOPGFXCFSA-N 1 1 421.563 0.578 20 0 HCADMO O=C(CSCC(=O)N1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534183189 1074581219 /nfs/dbraw/zinc/58/12/19/1074581219.db2.gz AQIHXRQVKFDFRW-OALUTQOASA-N 1 1 421.563 0.578 20 0 HCADMO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000534183190 1074581195 /nfs/dbraw/zinc/58/11/95/1074581195.db2.gz AQIHXRQVKFDFRW-RBUKOAKNSA-N 1 1 421.563 0.578 20 0 HCADMO O=C(CSCC(=O)N1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000534183191 1074581121 /nfs/dbraw/zinc/58/11/21/1074581121.db2.gz AQIHXRQVKFDFRW-RTBURBONSA-N 1 1 421.563 0.578 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)co1 ZINC000534183549 1074581256 /nfs/dbraw/zinc/58/12/56/1074581256.db2.gz HIKYQWGYPDPNQA-DLBZAZTESA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)co1 ZINC000534183550 1074581234 /nfs/dbraw/zinc/58/12/34/1074581234.db2.gz HIKYQWGYPDPNQA-IAGOWNOFSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)co1 ZINC000534183551 1074581056 /nfs/dbraw/zinc/58/10/56/1074581056.db2.gz HIKYQWGYPDPNQA-IRXDYDNUSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)co1 ZINC000534183552 1074581163 /nfs/dbraw/zinc/58/11/63/1074581163.db2.gz HIKYQWGYPDPNQA-SJORKVTESA-N 1 1 407.492 0.801 20 0 HCADMO C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183625 1074580804 /nfs/dbraw/zinc/58/08/04/1074580804.db2.gz WWQROTRHHWOGDU-BPQIPLTHSA-N 1 1 414.506 0.991 20 0 HCADMO C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183626 1074580721 /nfs/dbraw/zinc/58/07/21/1074580721.db2.gz WWQROTRHHWOGDU-KBAYOESNSA-N 1 1 414.506 0.991 20 0 HCADMO C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183627 1074580619 /nfs/dbraw/zinc/58/06/19/1074580619.db2.gz WWQROTRHHWOGDU-NJAFHUGGSA-N 1 1 414.506 0.991 20 0 HCADMO C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O ZINC000534183628 1074581096 /nfs/dbraw/zinc/58/10/96/1074581096.db2.gz WWQROTRHHWOGDU-NXHRZFHOSA-N 1 1 414.506 0.991 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC(O)(C(F)(F)F)CC1 ZINC000534184025 1074580518 /nfs/dbraw/zinc/58/05/18/1074580518.db2.gz RFQKSEOTCRLARR-AWEZNQCLSA-N 1 1 407.433 0.616 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC(O)(C(F)(F)F)CC1 ZINC000534184026 1074580638 /nfs/dbraw/zinc/58/06/38/1074580638.db2.gz RFQKSEOTCRLARR-CQSZACIVSA-N 1 1 407.433 0.616 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184053 1074580784 /nfs/dbraw/zinc/58/07/84/1074580784.db2.gz SGBHRYPCMPFHOH-IMFGXOCKSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184053 1074580779 /nfs/dbraw/zinc/58/07/79/1074580779.db2.gz SGBHRYPCMPFHOH-IMFGXOCKSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184054 1074580742 /nfs/dbraw/zinc/58/07/42/1074580742.db2.gz SGBHRYPCMPFHOH-KPFFTGBYSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184054 1074580737 /nfs/dbraw/zinc/58/07/37/1074580737.db2.gz SGBHRYPCMPFHOH-KPFFTGBYSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184055 1074580577 /nfs/dbraw/zinc/58/05/77/1074580577.db2.gz SGBHRYPCMPFHOH-POAQFYNOSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184055 1074580566 /nfs/dbraw/zinc/58/05/66/1074580566.db2.gz SGBHRYPCMPFHOH-POAQFYNOSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184056 1074580654 /nfs/dbraw/zinc/58/06/54/1074580654.db2.gz SGBHRYPCMPFHOH-YVWKXTFCSA-N 1 1 424.563 0.968 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)S(=O)(=O)C1CCOCC1 ZINC000534184056 1074580650 /nfs/dbraw/zinc/58/06/50/1074580650.db2.gz SGBHRYPCMPFHOH-YVWKXTFCSA-N 1 1 424.563 0.968 20 0 HCADMO CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000534185034 1074581140 /nfs/dbraw/zinc/58/11/40/1074581140.db2.gz GSMXDYOWEDEDJW-AEFFLSMTSA-N 1 1 421.519 0.942 20 0 HCADMO CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000534185035 1074581187 /nfs/dbraw/zinc/58/11/87/1074581187.db2.gz GSMXDYOWEDEDJW-FUHWJXTLSA-N 1 1 421.519 0.942 20 0 HCADMO CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000534185036 1074581280 /nfs/dbraw/zinc/58/12/80/1074581280.db2.gz GSMXDYOWEDEDJW-SJLPKXTDSA-N 1 1 421.519 0.942 20 0 HCADMO CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)o1 ZINC000534185037 1074581180 /nfs/dbraw/zinc/58/11/80/1074581180.db2.gz GSMXDYOWEDEDJW-WMZOPIPTSA-N 1 1 421.519 0.942 20 0 HCADMO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000534186474 1074581705 /nfs/dbraw/zinc/58/17/05/1074581705.db2.gz DAWITDVLBUKPIW-UHFFFAOYSA-N 1 1 419.503 0.855 20 0 HCADMO Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000534187156 1074581631 /nfs/dbraw/zinc/58/16/31/1074581631.db2.gz BXNMFNINGPOQCM-INIZCTEOSA-N 1 1 412.494 0.823 20 0 HCADMO Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000534187157 1074581724 /nfs/dbraw/zinc/58/17/24/1074581724.db2.gz BXNMFNINGPOQCM-MRXNPFEDSA-N 1 1 412.494 0.823 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n(-c2ccccc2)n1 ZINC000534187685 1074581569 /nfs/dbraw/zinc/58/15/69/1074581569.db2.gz FGVHRSIAINNCJA-INIZCTEOSA-N 1 1 412.494 0.823 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n(-c2ccccc2)n1 ZINC000534187686 1074581649 /nfs/dbraw/zinc/58/16/49/1074581649.db2.gz FGVHRSIAINNCJA-MRXNPFEDSA-N 1 1 412.494 0.823 20 0 HCADMO Cc1ccccc1-n1nccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000534191475 1074585443 /nfs/dbraw/zinc/58/54/43/1074585443.db2.gz SDKKTKZWTWEMFU-FQEVSTJZSA-N 1 1 401.467 0.319 20 0 HCADMO Cc1ccccc1-n1nccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000534191478 1074585492 /nfs/dbraw/zinc/58/54/92/1074585492.db2.gz SDKKTKZWTWEMFU-HXUWFJFHSA-N 1 1 401.467 0.319 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534199308 1074583653 /nfs/dbraw/zinc/58/36/53/1074583653.db2.gz LEIXGCOPBKJRPS-MSOLQXFVSA-N 1 1 403.504 0.628 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534199309 1074583833 /nfs/dbraw/zinc/58/38/33/1074583833.db2.gz LEIXGCOPBKJRPS-QZTJIDSGSA-N 1 1 403.504 0.628 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534199310 1074583872 /nfs/dbraw/zinc/58/38/72/1074583872.db2.gz LEIXGCOPBKJRPS-ROUUACIJSA-N 1 1 403.504 0.628 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534199311 1074583629 /nfs/dbraw/zinc/58/36/29/1074583629.db2.gz LEIXGCOPBKJRPS-ZWKOTPCHSA-N 1 1 403.504 0.628 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534199657 1074583793 /nfs/dbraw/zinc/58/37/93/1074583793.db2.gz UMZCPJOHMSAOJL-CVEARBPZSA-N 1 1 409.533 0.778 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534199658 1074583697 /nfs/dbraw/zinc/58/36/97/1074583697.db2.gz UMZCPJOHMSAOJL-HOTGVXAUSA-N 1 1 409.533 0.778 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534199659 1074583924 /nfs/dbraw/zinc/58/39/24/1074583924.db2.gz UMZCPJOHMSAOJL-HZPDHXFCSA-N 1 1 409.533 0.778 20 0 HCADMO O=C(CNS(=O)(=O)c1cccs1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534199660 1074583722 /nfs/dbraw/zinc/58/37/22/1074583722.db2.gz UMZCPJOHMSAOJL-JKSUJKDBSA-N 1 1 409.533 0.778 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)n(-c2ccc(F)cc2)n1 ZINC000534202761 1074584291 /nfs/dbraw/zinc/58/42/91/1074584291.db2.gz JJUFKYMXMPIWDE-UHFFFAOYSA-N 1 1 416.457 0.539 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534204495 1074584181 /nfs/dbraw/zinc/58/41/81/1074584181.db2.gz RMGHMMKBXSAQJN-UHFFFAOYSA-N 1 1 423.583 0.181 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000534204495 1074584175 /nfs/dbraw/zinc/58/41/75/1074584175.db2.gz RMGHMMKBXSAQJN-UHFFFAOYSA-N 1 1 423.583 0.181 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534211476 1074587118 /nfs/dbraw/zinc/58/71/18/1074587118.db2.gz WRCPMYXJRXUJLY-PBHICJAKSA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534211476 1074587109 /nfs/dbraw/zinc/58/71/09/1074587109.db2.gz WRCPMYXJRXUJLY-PBHICJAKSA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534211477 1074587317 /nfs/dbraw/zinc/58/73/17/1074587317.db2.gz WRCPMYXJRXUJLY-RHSMWYFYSA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534211477 1074587307 /nfs/dbraw/zinc/58/73/07/1074587307.db2.gz WRCPMYXJRXUJLY-RHSMWYFYSA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534211478 1074587215 /nfs/dbraw/zinc/58/72/15/1074587215.db2.gz WRCPMYXJRXUJLY-WMLDXEAASA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000534211478 1074587207 /nfs/dbraw/zinc/58/72/07/1074587207.db2.gz WRCPMYXJRXUJLY-WMLDXEAASA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534211479 1074587368 /nfs/dbraw/zinc/58/73/68/1074587368.db2.gz WRCPMYXJRXUJLY-YOEHRIQHSA-N 1 1 411.915 0.913 20 0 HCADMO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000534211479 1074587359 /nfs/dbraw/zinc/58/73/59/1074587359.db2.gz WRCPMYXJRXUJLY-YOEHRIQHSA-N 1 1 411.915 0.913 20 0 HCADMO CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000534211739 1074587180 /nfs/dbraw/zinc/58/71/80/1074587180.db2.gz RKPYHGLKDHRJFZ-FQEVSTJZSA-N 1 1 400.523 0.843 20 0 HCADMO CC(=O)N(CCc1ccccc1)CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000534211740 1074587152 /nfs/dbraw/zinc/58/71/52/1074587152.db2.gz RKPYHGLKDHRJFZ-HXUWFJFHSA-N 1 1 400.523 0.843 20 0 HCADMO CN(CCCN1CC[NH+](C)CC1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000534217026 1074587936 /nfs/dbraw/zinc/58/79/36/1074587936.db2.gz MQNNHNAAUBXSPR-UHFFFAOYSA-N 1 1 407.544 0.135 20 0 HCADMO C[N@@H+](CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000534218959 1074588456 /nfs/dbraw/zinc/58/84/56/1074588456.db2.gz AJVJKAHZTFEEOR-UHFFFAOYSA-N 1 1 423.514 0.877 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000534219171 1074588543 /nfs/dbraw/zinc/58/85/43/1074588543.db2.gz OGMJDXPPTNQKKV-HNNXBMFYSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000534219171 1074588534 /nfs/dbraw/zinc/58/85/34/1074588534.db2.gz OGMJDXPPTNQKKV-HNNXBMFYSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000534219172 1074588594 /nfs/dbraw/zinc/58/85/94/1074588594.db2.gz OGMJDXPPTNQKKV-OAHLLOKOSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000534219172 1074588583 /nfs/dbraw/zinc/58/85/83/1074588583.db2.gz OGMJDXPPTNQKKV-OAHLLOKOSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CCN1CC(F)(F)F ZINC000534223273 1074589349 /nfs/dbraw/zinc/58/93/49/1074589349.db2.gz XOGBMHIWGGALPV-INIZCTEOSA-N 1 1 409.497 0.655 20 0 HCADMO C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CCN1CC(F)(F)F ZINC000534223274 1074589379 /nfs/dbraw/zinc/58/93/79/1074589379.db2.gz XOGBMHIWGGALPV-MRXNPFEDSA-N 1 1 409.497 0.655 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534229030 1074589619 /nfs/dbraw/zinc/58/96/19/1074589619.db2.gz BHZFUGGAZYEKLJ-KRWDZBQOSA-N 1 1 416.526 0.074 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534229030 1074589607 /nfs/dbraw/zinc/58/96/07/1074589607.db2.gz BHZFUGGAZYEKLJ-KRWDZBQOSA-N 1 1 416.526 0.074 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534229032 1074589778 /nfs/dbraw/zinc/58/97/78/1074589778.db2.gz BHZFUGGAZYEKLJ-QGZVFWFLSA-N 1 1 416.526 0.074 20 0 HCADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534229032 1074589771 /nfs/dbraw/zinc/58/97/71/1074589771.db2.gz BHZFUGGAZYEKLJ-QGZVFWFLSA-N 1 1 416.526 0.074 20 0 HCADMO COC(=O)c1sc(NC(=O)CC[N@H+]2CC[C@H](NC(N)=O)C2)c(C(=O)OC)c1C ZINC000534229387 1074586871 /nfs/dbraw/zinc/58/68/71/1074586871.db2.gz IHBZSVDZLIEBII-JTQLQIEISA-N 1 1 412.468 0.701 20 0 HCADMO COC(=O)c1sc(NC(=O)CC[N@H+]2CC[C@@H](NC(N)=O)C2)c(C(=O)OC)c1C ZINC000534229390 1074586841 /nfs/dbraw/zinc/58/68/41/1074586841.db2.gz IHBZSVDZLIEBII-SNVBAGLBSA-N 1 1 412.468 0.701 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000534231000 1074587387 /nfs/dbraw/zinc/58/73/87/1074587387.db2.gz XOIWWHITQUQKEN-AWEZNQCLSA-N 1 1 404.471 0.357 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000534231014 1074587340 /nfs/dbraw/zinc/58/73/40/1074587340.db2.gz XOIWWHITQUQKEN-CQSZACIVSA-N 1 1 404.471 0.357 20 0 HCADMO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC000534231086 1074586734 /nfs/dbraw/zinc/58/67/34/1074586734.db2.gz UOXJIWYVDHTYHG-GOSISDBHSA-N 1 1 401.511 0.469 20 0 HCADMO NC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC000534231086 1074586728 /nfs/dbraw/zinc/58/67/28/1074586728.db2.gz UOXJIWYVDHTYHG-GOSISDBHSA-N 1 1 401.511 0.469 20 0 HCADMO NC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC000534231099 1074586555 /nfs/dbraw/zinc/58/65/55/1074586555.db2.gz UOXJIWYVDHTYHG-SFHVURJKSA-N 1 1 401.511 0.469 20 0 HCADMO NC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)C1 ZINC000534231099 1074586546 /nfs/dbraw/zinc/58/65/46/1074586546.db2.gz UOXJIWYVDHTYHG-SFHVURJKSA-N 1 1 401.511 0.469 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534231990 1074587417 /nfs/dbraw/zinc/58/74/17/1074587417.db2.gz CVJOPRVAVVUXLI-KRWDZBQOSA-N 1 1 416.526 0.129 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000534231990 1074587410 /nfs/dbraw/zinc/58/74/10/1074587410.db2.gz CVJOPRVAVVUXLI-KRWDZBQOSA-N 1 1 416.526 0.129 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534232001 1074587245 /nfs/dbraw/zinc/58/72/45/1074587245.db2.gz CVJOPRVAVVUXLI-QGZVFWFLSA-N 1 1 416.526 0.129 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000534232001 1074587239 /nfs/dbraw/zinc/58/72/39/1074587239.db2.gz CVJOPRVAVVUXLI-QGZVFWFLSA-N 1 1 416.526 0.129 20 0 HCADMO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000534258539 1074592824 /nfs/dbraw/zinc/59/28/24/1074592824.db2.gz UTOYDPWQMLFCBA-KRWDZBQOSA-N 1 1 411.524 0.348 20 0 HCADMO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000534258540 1074592783 /nfs/dbraw/zinc/59/27/83/1074592783.db2.gz UTOYDPWQMLFCBA-QGZVFWFLSA-N 1 1 411.524 0.348 20 0 HCADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000534262002 1074592984 /nfs/dbraw/zinc/59/29/84/1074592984.db2.gz IELRDSKXISKDCV-KSZLIROESA-N 1 1 416.588 0.464 20 0 HCADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000534262003 1074593123 /nfs/dbraw/zinc/59/31/23/1074593123.db2.gz IELRDSKXISKDCV-KURKYZTESA-N 1 1 416.588 0.464 20 0 HCADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000534262004 1074593162 /nfs/dbraw/zinc/59/31/62/1074593162.db2.gz IELRDSKXISKDCV-KZNAEPCWSA-N 1 1 416.588 0.464 20 0 HCADMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000534262005 1074592958 /nfs/dbraw/zinc/59/29/58/1074592958.db2.gz IELRDSKXISKDCV-RCCFBDPRSA-N 1 1 416.588 0.464 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)C1 ZINC000534272152 1074591279 /nfs/dbraw/zinc/59/12/79/1074591279.db2.gz OQDUUWDJZRBLFT-HNNXBMFYSA-N 1 1 404.540 0.900 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)C1 ZINC000534272157 1074591119 /nfs/dbraw/zinc/59/11/19/1074591119.db2.gz OQDUUWDJZRBLFT-OAHLLOKOSA-N 1 1 404.540 0.900 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000534283984 1074594792 /nfs/dbraw/zinc/59/47/92/1074594792.db2.gz HYLCTHIRRVPOAW-HNNXBMFYSA-N 1 1 403.464 0.431 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000534283984 1074594787 /nfs/dbraw/zinc/59/47/87/1074594787.db2.gz HYLCTHIRRVPOAW-HNNXBMFYSA-N 1 1 403.464 0.431 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000534283986 1074594684 /nfs/dbraw/zinc/59/46/84/1074594684.db2.gz HYLCTHIRRVPOAW-OAHLLOKOSA-N 1 1 403.464 0.431 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000534283986 1074594678 /nfs/dbraw/zinc/59/46/78/1074594678.db2.gz HYLCTHIRRVPOAW-OAHLLOKOSA-N 1 1 403.464 0.431 20 0 HCADMO Cc1nn2cc(S(=O)(=O)NCCCC[NH+]3CCN(C)CC3)cnc2c1Cl ZINC000534305938 1074596295 /nfs/dbraw/zinc/59/62/95/1074596295.db2.gz WCHJMKRVJRXTPH-UHFFFAOYSA-N 1 1 400.936 0.997 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](OC)C3)CC2)cc1 ZINC000534311044 1074596899 /nfs/dbraw/zinc/59/68/99/1074596899.db2.gz UHMIJBVIQXVGRN-KRWDZBQOSA-N 1 1 411.524 0.639 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000534311045 1074596763 /nfs/dbraw/zinc/59/67/63/1074596763.db2.gz UHMIJBVIQXVGRN-QGZVFWFLSA-N 1 1 411.524 0.639 20 0 HCADMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000534311636 1074596827 /nfs/dbraw/zinc/59/68/27/1074596827.db2.gz RVIOPYMJXXPFFS-APWZRJJASA-N 1 1 403.479 0.608 20 0 HCADMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000534311637 1074596726 /nfs/dbraw/zinc/59/67/26/1074596726.db2.gz RVIOPYMJXXPFFS-LPHOPBHVSA-N 1 1 403.479 0.608 20 0 HCADMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000534311638 1074596875 /nfs/dbraw/zinc/59/68/75/1074596875.db2.gz RVIOPYMJXXPFFS-QFBILLFUSA-N 1 1 403.479 0.608 20 0 HCADMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000534311639 1074596777 /nfs/dbraw/zinc/59/67/77/1074596777.db2.gz RVIOPYMJXXPFFS-VQIMIIECSA-N 1 1 403.479 0.608 20 0 HCADMO CC[NH+](CC)CCN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000534314373 1074597964 /nfs/dbraw/zinc/59/79/64/1074597964.db2.gz STDXQFRRSPGWET-HMQMGEFJSA-N 1 1 400.541 0.586 20 0 HCADMO CC[NH+](CC)CCN(C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000534314374 1074598049 /nfs/dbraw/zinc/59/80/49/1074598049.db2.gz STDXQFRRSPGWET-NPYXIHBLSA-N 1 1 400.541 0.586 20 0 HCADMO COCCN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347363 1074599487 /nfs/dbraw/zinc/59/94/87/1074599487.db2.gz SMAQZUGUQSXVPY-HKUYNNGSSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347363 1074599481 /nfs/dbraw/zinc/59/94/81/1074599481.db2.gz SMAQZUGUQSXVPY-HKUYNNGSSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347364 1074599446 /nfs/dbraw/zinc/59/94/46/1074599446.db2.gz SMAQZUGUQSXVPY-IEBWSBKVSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347364 1074599436 /nfs/dbraw/zinc/59/94/36/1074599436.db2.gz SMAQZUGUQSXVPY-IEBWSBKVSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347365 1074599705 /nfs/dbraw/zinc/59/97/05/1074599705.db2.gz SMAQZUGUQSXVPY-MJGOQNOKSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347365 1074599697 /nfs/dbraw/zinc/59/96/97/1074599697.db2.gz SMAQZUGUQSXVPY-MJGOQNOKSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347366 1074599773 /nfs/dbraw/zinc/59/97/73/1074599773.db2.gz SMAQZUGUQSXVPY-PKOBYXMFSA-N 1 1 404.511 0.776 20 0 HCADMO COCCN1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O ZINC000534347366 1074599768 /nfs/dbraw/zinc/59/97/68/1074599768.db2.gz SMAQZUGUQSXVPY-PKOBYXMFSA-N 1 1 404.511 0.776 20 0 HCADMO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000534352716 1074600514 /nfs/dbraw/zinc/60/05/14/1074600514.db2.gz JXNUJXVCKZKUKF-FXAWDEMLSA-N 1 1 418.538 0.871 20 0 HCADMO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000534352724 1074600534 /nfs/dbraw/zinc/60/05/34/1074600534.db2.gz JXNUJXVCKZKUKF-PXNSSMCTSA-N 1 1 418.538 0.871 20 0 HCADMO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000534352725 1074600460 /nfs/dbraw/zinc/60/04/60/1074600460.db2.gz JXNUJXVCKZKUKF-XLIONFOSSA-N 1 1 418.538 0.871 20 0 HCADMO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000534352726 1074600376 /nfs/dbraw/zinc/60/03/76/1074600376.db2.gz JXNUJXVCKZKUKF-YLJYHZDGSA-N 1 1 418.538 0.871 20 0 HCADMO O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534352899 1074599792 /nfs/dbraw/zinc/59/97/92/1074599792.db2.gz CNXUUSIKBRDODC-DYESRHJHSA-N 1 1 413.478 0.536 20 0 HCADMO O=C(NC[C@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534352905 1074600391 /nfs/dbraw/zinc/60/03/91/1074600391.db2.gz CNXUUSIKBRDODC-LAUBAEHRSA-N 1 1 413.478 0.536 20 0 HCADMO O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534352906 1074600444 /nfs/dbraw/zinc/60/04/44/1074600444.db2.gz CNXUUSIKBRDODC-UTKZUKDTSA-N 1 1 413.478 0.536 20 0 HCADMO O=C(NC[C@@]1(O)CCOC1)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000534352907 1074600523 /nfs/dbraw/zinc/60/05/23/1074600523.db2.gz CNXUUSIKBRDODC-UWJYYQICSA-N 1 1 413.478 0.536 20 0 HCADMO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534354594 1074601532 /nfs/dbraw/zinc/60/15/32/1074601532.db2.gz LHKGADBLAVNUSC-HKUYNNGSSA-N 1 1 416.522 0.561 20 0 HCADMO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534354597 1074601558 /nfs/dbraw/zinc/60/15/58/1074601558.db2.gz LHKGADBLAVNUSC-IEBWSBKVSA-N 1 1 416.522 0.561 20 0 HCADMO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534354598 1074601578 /nfs/dbraw/zinc/60/15/78/1074601578.db2.gz LHKGADBLAVNUSC-MJGOQNOKSA-N 1 1 416.522 0.561 20 0 HCADMO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534354599 1074601423 /nfs/dbraw/zinc/60/14/23/1074601423.db2.gz LHKGADBLAVNUSC-PKOBYXMFSA-N 1 1 416.522 0.561 20 0 HCADMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000534356324 1074602178 /nfs/dbraw/zinc/60/21/78/1074602178.db2.gz WQINROWNRVFVOC-DZGCQCFKSA-N 1 1 408.524 0.412 20 0 HCADMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000534356325 1074602099 /nfs/dbraw/zinc/60/20/99/1074602099.db2.gz WQINROWNRVFVOC-HIFRSBDPSA-N 1 1 408.524 0.412 20 0 HCADMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000534356326 1074602127 /nfs/dbraw/zinc/60/21/27/1074602127.db2.gz WQINROWNRVFVOC-UKRRQHHQSA-N 1 1 408.524 0.412 20 0 HCADMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC000534356327 1074602223 /nfs/dbraw/zinc/60/22/23/1074602223.db2.gz WQINROWNRVFVOC-ZFWWWQNUSA-N 1 1 408.524 0.412 20 0 HCADMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000534357371 1074604536 /nfs/dbraw/zinc/60/45/36/1074604536.db2.gz YKSYPYZRVBYCHX-GOSISDBHSA-N 1 1 422.551 0.320 20 0 HCADMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000534357372 1074604490 /nfs/dbraw/zinc/60/44/90/1074604490.db2.gz YKSYPYZRVBYCHX-SFHVURJKSA-N 1 1 422.551 0.320 20 0 HCADMO CN(C(=O)c1cn(C)nc1C(F)F)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000534358097 1074602945 /nfs/dbraw/zinc/60/29/45/1074602945.db2.gz JRVRWZCTUWIEEV-UHFFFAOYSA-N 1 1 412.485 0.668 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534359797 1074604472 /nfs/dbraw/zinc/60/44/72/1074604472.db2.gz IXXYSDLWYMLIOS-MOPGFXCFSA-N 1 1 414.616 0.512 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359797 1074604468 /nfs/dbraw/zinc/60/44/68/1074604468.db2.gz IXXYSDLWYMLIOS-MOPGFXCFSA-N 1 1 414.616 0.512 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534359806 1074605126 /nfs/dbraw/zinc/60/51/26/1074605126.db2.gz IXXYSDLWYMLIOS-OALUTQOASA-N 1 1 414.616 0.512 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359806 1074605125 /nfs/dbraw/zinc/60/51/25/1074605125.db2.gz IXXYSDLWYMLIOS-OALUTQOASA-N 1 1 414.616 0.512 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000534359808 1074605211 /nfs/dbraw/zinc/60/52/11/1074605211.db2.gz IXXYSDLWYMLIOS-RBUKOAKNSA-N 1 1 414.616 0.512 20 0 HCADMO CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534359808 1074605204 /nfs/dbraw/zinc/60/52/04/1074605204.db2.gz IXXYSDLWYMLIOS-RBUKOAKNSA-N 1 1 414.616 0.512 20 0 HCADMO 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415.475 0.758 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cnc21 ZINC000534637417 1074666349 /nfs/dbraw/zinc/66/63/49/1074666349.db2.gz MQOJKGIIRRIFTE-JKSUJKDBSA-N 1 1 415.475 0.758 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cnc21 ZINC000534637417 1074666343 /nfs/dbraw/zinc/66/63/43/1074666343.db2.gz MQOJKGIIRRIFTE-JKSUJKDBSA-N 1 1 415.475 0.758 20 0 HCADMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1c1ccccc1 ZINC000534638755 1074666783 /nfs/dbraw/zinc/66/67/83/1074666783.db2.gz HBONGGSWTRZBOM-DOTOQJQBSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1c1ccccc1 ZINC000534638755 1074666775 /nfs/dbraw/zinc/66/67/75/1074666775.db2.gz HBONGGSWTRZBOM-DOTOQJQBSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1c1ccccc1 ZINC000534638756 1074666844 /nfs/dbraw/zinc/66/68/44/1074666844.db2.gz HBONGGSWTRZBOM-NVXWUHKLSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@H]1c1ccccc1 ZINC000534638756 1074666840 /nfs/dbraw/zinc/66/68/40/1074666840.db2.gz HBONGGSWTRZBOM-NVXWUHKLSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000534638757 1074666739 /nfs/dbraw/zinc/66/67/39/1074666739.db2.gz HBONGGSWTRZBOM-RDJZCZTQSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000534638757 1074666736 /nfs/dbraw/zinc/66/67/36/1074666736.db2.gz HBONGGSWTRZBOM-RDJZCZTQSA-N 1 1 400.460 0.940 20 0 HCADMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000534638758 1074666828 /nfs/dbraw/zinc/66/68/28/1074666828.db2.gz HBONGGSWTRZBOM-WBVHZDCISA-N 1 1 400.460 0.940 20 0 HCADMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000534638758 1074666823 /nfs/dbraw/zinc/66/68/23/1074666823.db2.gz HBONGGSWTRZBOM-WBVHZDCISA-N 1 1 400.460 0.940 20 0 HCADMO CCS(=O)(=O)NCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000534642686 1074667296 /nfs/dbraw/zinc/66/72/96/1074667296.db2.gz UYLMOLAEXYRASP-UHFFFAOYSA-N 1 1 402.948 0.908 20 0 HCADMO CNC(=O)c1cccc(OCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000534653437 1074669769 /nfs/dbraw/zinc/66/97/69/1074669769.db2.gz PDAUQMSTTDVSRZ-UHFFFAOYSA-N 1 1 402.495 0.438 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 ZINC000534657034 1074670318 /nfs/dbraw/zinc/67/03/18/1074670318.db2.gz HUGNZXGUWVMXOT-UHFFFAOYSA-N 1 1 403.405 0.943 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534661370 1074670754 /nfs/dbraw/zinc/67/07/54/1074670754.db2.gz GOQCUZAFFLHCOH-NRFANRHFSA-N 1 1 402.539 0.466 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534661371 1074670819 /nfs/dbraw/zinc/67/08/19/1074670819.db2.gz GOQCUZAFFLHCOH-OAQYLSRUSA-N 1 1 402.539 0.466 20 0 HCADMO CN(C)S(=O)(=O)c1ccsc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534662141 1074670767 /nfs/dbraw/zinc/67/07/67/1074670767.db2.gz HHYKTYWYALEITJ-UHFFFAOYSA-N 1 1 418.585 0.118 20 0 HCADMO CN1C(=O)N(CC(=O)NCCCCN2CC[NH+](CCO)CC2)C(=O)C12CCCCC2 ZINC000534662193 1074670786 /nfs/dbraw/zinc/67/07/86/1074670786.db2.gz IUODVHSPUYJGBV-UHFFFAOYSA-N 1 1 423.558 0.090 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663545 1074670865 /nfs/dbraw/zinc/67/08/65/1074670865.db2.gz CPWDKYSDBQVUQV-IBGZPJMESA-N 1 1 406.502 0.685 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000534663546 1074671547 /nfs/dbraw/zinc/67/15/47/1074671547.db2.gz CPWDKYSDBQVUQV-LJQANCHMSA-N 1 1 406.502 0.685 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663721 1074671602 /nfs/dbraw/zinc/67/16/02/1074671602.db2.gz NJVXQGPENPXSFG-KRWDZBQOSA-N 1 1 406.502 0.685 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000534663722 1074671644 /nfs/dbraw/zinc/67/16/44/1074671644.db2.gz NJVXQGPENPXSFG-QGZVFWFLSA-N 1 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COCC1(O)CC[NH+](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000534664547 1074671518 /nfs/dbraw/zinc/67/15/18/1074671518.db2.gz XBYQUIUUYRRXHI-SFHVURJKSA-N 1 1 403.479 0.842 20 0 HCADMO Cc1c(CC(=O)NCCCCN2CC[NH+](CCO)CC2)nnn1-c1ccccc1 ZINC000534664896 1074672289 /nfs/dbraw/zinc/67/22/89/1074672289.db2.gz DAEFLURFWZQJIH-UHFFFAOYSA-N 1 1 400.527 0.625 20 0 HCADMO C[C@@H]1CN(c2ccc(C(=O)NCCCCN3CC[NH+](CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665109 1074671422 /nfs/dbraw/zinc/67/14/22/1074671422.db2.gz MDYLPDDSJOWMCN-KDURUIRLSA-N 1 1 419.570 0.815 20 0 HCADMO C[C@H]1CN(c2ccc(C(=O)NCCCCN3CC[NH+](CCO)CC3)cn2)C[C@H](C)O1 ZINC000534665110 1074671446 /nfs/dbraw/zinc/67/14/46/1074671446.db2.gz MDYLPDDSJOWMCN-OALUTQOASA-N 1 1 419.570 0.815 20 0 HCADMO C[C@@H]1CN(c2ccc(C(=O)NCCCCN3CC[NH+](CCO)CC3)cn2)C[C@@H](C)O1 ZINC000534665111 1074671527 /nfs/dbraw/zinc/67/15/27/1074671527.db2.gz MDYLPDDSJOWMCN-RTBURBONSA-N 1 1 419.570 0.815 20 0 HCADMO CC(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000534665197 1074671403 /nfs/dbraw/zinc/67/14/03/1074671403.db2.gz QNZKIZZZNJQZLQ-UHFFFAOYSA-N 1 1 411.568 0.989 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccccc1CN1CCOCC1 ZINC000534665231 1074671487 /nfs/dbraw/zinc/67/14/87/1074671487.db2.gz SOOVEALTDCROKK-UHFFFAOYSA-N 1 1 404.555 0.639 20 0 HCADMO Cc1c(CC(=O)NCCCCN2CC[NH+](CCO)CC2)nnn1-c1ccc(C)cc1 ZINC000534665319 1074671383 /nfs/dbraw/zinc/67/13/83/1074671383.db2.gz XVSRTHJYJBUYSH-UHFFFAOYSA-N 1 1 414.554 0.933 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665940 1074672264 /nfs/dbraw/zinc/67/22/64/1074672264.db2.gz SJJDXYOVFZMCOY-INIZCTEOSA-N 1 1 424.492 0.824 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000534665941 1074672198 /nfs/dbraw/zinc/67/21/98/1074672198.db2.gz SJJDXYOVFZMCOY-MRXNPFEDSA-N 1 1 424.492 0.824 20 0 HCADMO CCS(=O)(=O)NCC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000534666615 1074672224 /nfs/dbraw/zinc/67/22/24/1074672224.db2.gz OCNXIXLQDWSUKI-UHFFFAOYSA-N 1 1 424.567 0.413 20 0 HCADMO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000534666758 1074672253 /nfs/dbraw/zinc/67/22/53/1074672253.db2.gz USFBROPAVKTHKJ-UHFFFAOYSA-N 1 1 416.526 0.671 20 0 HCADMO COCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000534668000 1074669319 /nfs/dbraw/zinc/66/93/19/1074669319.db2.gz DEHYRXSCCUQBQN-UHFFFAOYSA-N 1 1 403.523 0.739 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+](C)CC(C)(CO)CO)c1 ZINC000534670328 1074669244 /nfs/dbraw/zinc/66/92/44/1074669244.db2.gz GWOYKAWXQZNXBK-UHFFFAOYSA-N 1 1 421.947 0.842 20 0 HCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO ZINC000534674700 1074675075 /nfs/dbraw/zinc/67/50/75/1074675075.db2.gz AIAFXBZVHZHRTR-CYBMUJFWSA-N 1 1 417.528 0.195 20 0 HCADMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000534674700 1074675072 /nfs/dbraw/zinc/67/50/72/1074675072.db2.gz AIAFXBZVHZHRTR-CYBMUJFWSA-N 1 1 417.528 0.195 20 0 HCADMO 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O=C1COc2ccc(S(=O)(=O)NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)cc2N1 ZINC000534804726 1074707089 /nfs/dbraw/zinc/70/70/89/1074707089.db2.gz RPQBNFKEQVEHRB-JKSUJKDBSA-N 1 1 417.487 0.931 20 0 HCADMO COCCN(CCOC)S(=O)(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804747 1074707259 /nfs/dbraw/zinc/70/72/59/1074707259.db2.gz SSCIRYITEPILKQ-MSOLQXFVSA-N 1 1 401.529 0.051 20 0 HCADMO COCCN(CCOC)S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804748 1074707119 /nfs/dbraw/zinc/70/71/19/1074707119.db2.gz SSCIRYITEPILKQ-QZTJIDSGSA-N 1 1 401.529 0.051 20 0 HCADMO COCCN(CCOC)S(=O)(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804749 1074707402 /nfs/dbraw/zinc/70/74/02/1074707402.db2.gz SSCIRYITEPILKQ-ROUUACIJSA-N 1 1 401.529 0.051 20 0 HCADMO COCCN(CCOC)S(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000534804750 1074707428 /nfs/dbraw/zinc/70/74/28/1074707428.db2.gz SSCIRYITEPILKQ-ZWKOTPCHSA-N 1 1 401.529 0.051 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534820406 1074714154 /nfs/dbraw/zinc/71/41/54/1074714154.db2.gz JLLGSFPRVQCNTA-MSOLQXFVSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534820406 1074714145 /nfs/dbraw/zinc/71/41/45/1074714145.db2.gz JLLGSFPRVQCNTA-MSOLQXFVSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534820415 1074714208 /nfs/dbraw/zinc/71/42/08/1074714208.db2.gz JLLGSFPRVQCNTA-QZTJIDSGSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534820415 1074714198 /nfs/dbraw/zinc/71/41/98/1074714198.db2.gz JLLGSFPRVQCNTA-QZTJIDSGSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534820416 1074714115 /nfs/dbraw/zinc/71/41/15/1074714115.db2.gz JLLGSFPRVQCNTA-ROUUACIJSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534820416 1074714109 /nfs/dbraw/zinc/71/41/09/1074714109.db2.gz JLLGSFPRVQCNTA-ROUUACIJSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000534820417 1074713980 /nfs/dbraw/zinc/71/39/80/1074713980.db2.gz JLLGSFPRVQCNTA-ZWKOTPCHSA-N 1 1 403.504 0.960 20 0 HCADMO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000534820417 1074713970 /nfs/dbraw/zinc/71/39/70/1074713970.db2.gz JLLGSFPRVQCNTA-ZWKOTPCHSA-N 1 1 403.504 0.960 20 0 HCADMO O=C(Cn1cc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1)NC1CC1 ZINC000534821056 1074714738 /nfs/dbraw/zinc/71/47/38/1074714738.db2.gz RNYDHMOTJRAEKC-MOPGFXCFSA-N 1 1 412.494 0.919 20 0 HCADMO O=C(Cn1cc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1)NC1CC1 ZINC000534821057 1074714588 /nfs/dbraw/zinc/71/45/88/1074714588.db2.gz RNYDHMOTJRAEKC-OALUTQOASA-N 1 1 412.494 0.919 20 0 HCADMO O=C(Cn1cc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1)NC1CC1 ZINC000534821058 1074714706 /nfs/dbraw/zinc/71/47/06/1074714706.db2.gz RNYDHMOTJRAEKC-RBUKOAKNSA-N 1 1 412.494 0.919 20 0 HCADMO O=C(Cn1cc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1)NC1CC1 ZINC000534821059 1074714453 /nfs/dbraw/zinc/71/44/53/1074714453.db2.gz RNYDHMOTJRAEKC-RTBURBONSA-N 1 1 412.494 0.919 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000534824283 1074707693 /nfs/dbraw/zinc/70/76/93/1074707693.db2.gz UWTACOLTWVXFJV-MSOLQXFVSA-N 1 1 400.483 0.728 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000534824284 1074707569 /nfs/dbraw/zinc/70/75/69/1074707569.db2.gz UWTACOLTWVXFJV-QZTJIDSGSA-N 1 1 400.483 0.728 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000534824286 1074707993 /nfs/dbraw/zinc/70/79/93/1074707993.db2.gz UWTACOLTWVXFJV-ROUUACIJSA-N 1 1 400.483 0.728 20 0 HCADMO CN(C)C(=O)Cn1cc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1 ZINC000534824288 1074707802 /nfs/dbraw/zinc/70/78/02/1074707802.db2.gz UWTACOLTWVXFJV-ZWKOTPCHSA-N 1 1 400.483 0.728 20 0 HCADMO CS[C@H]1CN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C[C@H]1[NH+](C)C ZINC000534829193 1074709458 /nfs/dbraw/zinc/70/94/58/1074709458.db2.gz CPMKHBCVMYETHT-BDAKNGLRSA-N 1 1 404.422 0.830 20 0 HCADMO CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C[C@@H]1[NH+](C)C ZINC000534829194 1074709342 /nfs/dbraw/zinc/70/93/42/1074709342.db2.gz CPMKHBCVMYETHT-DTWKUNHWSA-N 1 1 404.422 0.830 20 0 HCADMO CS[C@H]1CN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C[C@@H]1[NH+](C)C ZINC000534829195 1074709240 /nfs/dbraw/zinc/70/92/40/1074709240.db2.gz CPMKHBCVMYETHT-IUCAKERBSA-N 1 1 404.422 0.830 20 0 HCADMO CS[C@@H]1CN(C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)C[C@H]1[NH+](C)C ZINC000534829196 1074709107 /nfs/dbraw/zinc/70/91/07/1074709107.db2.gz CPMKHBCVMYETHT-RKDXNWHRSA-N 1 1 404.422 0.830 20 0 HCADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCC1(c2ccccc2)CCOCC1 ZINC000534829832 1074709317 /nfs/dbraw/zinc/70/93/17/1074709317.db2.gz CVFLLGNRTSFCNQ-UHFFFAOYSA-N 1 1 400.479 0.525 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C[C@H](C)O1 ZINC000534831058 1074710061 /nfs/dbraw/zinc/71/00/61/1074710061.db2.gz BUYRKPVLDHZHBJ-RYUDHWBXSA-N 1 1 416.482 0.604 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C[C@H](C)O1 ZINC000534831059 1074710269 /nfs/dbraw/zinc/71/02/69/1074710269.db2.gz BUYRKPVLDHZHBJ-TXEJJXNPSA-N 1 1 416.482 0.604 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C[C@H](C)O1 ZINC000534831059 1074710258 /nfs/dbraw/zinc/71/02/58/1074710258.db2.gz BUYRKPVLDHZHBJ-TXEJJXNPSA-N 1 1 416.482 0.604 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C[C@@H](C)O1 ZINC000534831060 1074710103 /nfs/dbraw/zinc/71/01/03/1074710103.db2.gz BUYRKPVLDHZHBJ-VXGBXAGGSA-N 1 1 416.482 0.604 20 0 HCADMO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC3(CC1)NC(=O)NC3=O)CC2 ZINC000534831215 1074709826 /nfs/dbraw/zinc/70/98/26/1074709826.db2.gz AHURDDFVNDOKKR-UHFFFAOYSA-N 1 1 402.451 0.263 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000534832349 1074710217 /nfs/dbraw/zinc/71/02/17/1074710217.db2.gz OEDAZDOALUKPBO-HNNXBMFYSA-N 1 1 406.446 0.991 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000534832350 1074710674 /nfs/dbraw/zinc/71/06/74/1074710674.db2.gz OEDAZDOALUKPBO-OAHLLOKOSA-N 1 1 406.446 0.991 20 0 HCADMO CCOc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)nc2nc(C(F)(F)F)nn21 ZINC000534832362 1074710609 /nfs/dbraw/zinc/71/06/09/1074710609.db2.gz OXLCIBANRZBHCY-UHFFFAOYSA-N 1 1 413.360 0.716 20 0 HCADMO CC(C)Cn1ncc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C(F)F ZINC000534833024 1074711243 /nfs/dbraw/zinc/71/12/43/1074711243.db2.gz YCVILIPLLIRWNS-UHFFFAOYSA-N 1 1 414.457 0.696 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000534833037 1074710630 /nfs/dbraw/zinc/71/06/30/1074710630.db2.gz YSQBWISZLBZMBC-CYBMUJFWSA-N 1 1 402.455 0.073 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)C1 ZINC000534833038 1074710741 /nfs/dbraw/zinc/71/07/41/1074710741.db2.gz YSQBWISZLBZMBC-ZDUSSCGKSA-N 1 1 402.455 0.073 20 0 HCADMO C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534833102 1074711261 /nfs/dbraw/zinc/71/12/61/1074711261.db2.gz CLRSRHBFNIQHNU-UHFFFAOYSA-N 1 1 409.450 0.586 20 0 HCADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000534833175 1074711296 /nfs/dbraw/zinc/71/12/96/1074711296.db2.gz HMZFCXKMTDTDMO-UHFFFAOYSA-N 1 1 414.384 0.874 20 0 HCADMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534833664 1074710576 /nfs/dbraw/zinc/71/05/76/1074710576.db2.gz HNRKGNAGUIHGKY-JSFDKUKPSA-N 1 1 417.510 0.844 20 0 HCADMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534833665 1074710783 /nfs/dbraw/zinc/71/07/83/1074710783.db2.gz HNRKGNAGUIHGKY-PGBBXINNSA-N 1 1 417.510 0.844 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534834458 1074712297 /nfs/dbraw/zinc/71/22/97/1074712297.db2.gz VQAFOJIMFQMZMK-HNNXBMFYSA-N 1 1 408.462 0.889 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000534834461 1074712160 /nfs/dbraw/zinc/71/21/60/1074712160.db2.gz VQAFOJIMFQMZMK-OAHLLOKOSA-N 1 1 408.462 0.889 20 0 HCADMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534834741 1074712254 /nfs/dbraw/zinc/71/22/54/1074712254.db2.gz ZHCNOPFUFHCNSK-UHFFFAOYSA-N 1 1 424.505 0.838 20 0 HCADMO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000534835078 1074713553 /nfs/dbraw/zinc/71/35/53/1074713553.db2.gz HQLDDCLTSIQEER-UHFFFAOYSA-N 1 1 415.494 0.846 20 0 HCADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000534835282 1074713219 /nfs/dbraw/zinc/71/32/19/1074713219.db2.gz PCTUJGQOCVHFIF-UHFFFAOYSA-N 1 1 414.384 0.874 20 0 HCADMO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1)[C@H]1CCSC1 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Cn1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2nc1C1CC1 ZINC000534856282 1074720990 /nfs/dbraw/zinc/72/09/90/1074720990.db2.gz GRUBCXMVNNLUAZ-KRWDZBQOSA-N 1 1 412.494 0.845 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2nc1C1CC1 ZINC000534856284 1074720722 /nfs/dbraw/zinc/72/07/22/1074720722.db2.gz GRUBCXMVNNLUAZ-QGZVFWFLSA-N 1 1 412.494 0.845 20 0 HCADMO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000534856956 1074725933 /nfs/dbraw/zinc/72/59/33/1074725933.db2.gz YVELVUASXMKWRZ-GDBMZVCRSA-N 1 1 410.540 0.911 20 0 HCADMO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000534856957 1074725793 /nfs/dbraw/zinc/72/57/93/1074725793.db2.gz YVELVUASXMKWRZ-GOEBONIOSA-N 1 1 410.540 0.911 20 0 HCADMO CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000534856958 1074725861 /nfs/dbraw/zinc/72/58/61/1074725861.db2.gz YVELVUASXMKWRZ-HOCLYGCPSA-N 1 1 410.540 0.911 20 0 HCADMO CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000534856959 1074725730 /nfs/dbraw/zinc/72/57/30/1074725730.db2.gz YVELVUASXMKWRZ-ZBFHGGJFSA-N 1 1 410.540 0.911 20 0 HCADMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857063 1074726233 /nfs/dbraw/zinc/72/62/33/1074726233.db2.gz FAUHHADKTZRTRO-PMACEKPBSA-N 1 1 420.473 0.957 20 0 HCADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857064 1074726282 /nfs/dbraw/zinc/72/62/82/1074726282.db2.gz FAUHHADKTZRTRO-UXHICEINSA-N 1 1 420.473 0.957 20 0 HCADMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857065 1074726421 /nfs/dbraw/zinc/72/64/21/1074726421.db2.gz FAUHHADKTZRTRO-VQTJNVASSA-N 1 1 420.473 0.957 20 0 HCADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000534857066 1074726329 /nfs/dbraw/zinc/72/63/29/1074726329.db2.gz FAUHHADKTZRTRO-WOJBJXKFSA-N 1 1 420.473 0.957 20 0 HCADMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857674 1074725817 /nfs/dbraw/zinc/72/58/17/1074725817.db2.gz XFARKHOFOUIGKQ-MSOLQXFVSA-N 1 1 408.458 0.871 20 0 HCADMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857675 1074725899 /nfs/dbraw/zinc/72/58/99/1074725899.db2.gz XFARKHOFOUIGKQ-QZTJIDSGSA-N 1 1 408.458 0.871 20 0 HCADMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857676 1074725836 /nfs/dbraw/zinc/72/58/36/1074725836.db2.gz XFARKHOFOUIGKQ-ROUUACIJSA-N 1 1 408.458 0.871 20 0 HCADMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000534857677 1074725748 /nfs/dbraw/zinc/72/57/48/1074725748.db2.gz XFARKHOFOUIGKQ-ZWKOTPCHSA-N 1 1 408.458 0.871 20 0 HCADMO O=C(C[N@H+]1CC[C@H](N2CCCC2=O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000534859573 1074726316 /nfs/dbraw/zinc/72/63/16/1074726316.db2.gz IWZBXNSXOORXRS-FQEVSTJZSA-N 1 1 412.534 0.962 20 0 HCADMO O=C(C[N@@H+]1CC[C@H](N2CCCC2=O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000534859573 1074726307 /nfs/dbraw/zinc/72/63/07/1074726307.db2.gz IWZBXNSXOORXRS-FQEVSTJZSA-N 1 1 412.534 0.962 20 0 HCADMO O=C(C[N@H+]1CC[C@@H](N2CCCC2=O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000534859575 1074726726 /nfs/dbraw/zinc/72/67/26/1074726726.db2.gz IWZBXNSXOORXRS-HXUWFJFHSA-N 1 1 412.534 0.962 20 0 HCADMO O=C(C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000534859575 1074726719 /nfs/dbraw/zinc/72/67/19/1074726719.db2.gz IWZBXNSXOORXRS-HXUWFJFHSA-N 1 1 412.534 0.962 20 0 HCADMO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000534862986 1074727666 /nfs/dbraw/zinc/72/76/66/1074727666.db2.gz XHFGSSAKFZAOEG-UHFFFAOYSA-N 1 1 417.535 0.964 20 0 HCADMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@@H]1O ZINC000534863430 1074727077 /nfs/dbraw/zinc/72/70/77/1074727077.db2.gz FWKYMHKLAGKXMV-HKUYNNGSSA-N 1 1 409.552 0.839 20 0 HCADMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@H]1O ZINC000534863431 1074727308 /nfs/dbraw/zinc/72/73/08/1074727308.db2.gz FWKYMHKLAGKXMV-IEBWSBKVSA-N 1 1 409.552 0.839 20 0 HCADMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@@H]1O ZINC000534863432 1074727373 /nfs/dbraw/zinc/72/73/73/1074727373.db2.gz FWKYMHKLAGKXMV-MJGOQNOKSA-N 1 1 409.552 0.839 20 0 HCADMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C[C@H]1O ZINC000534863433 1074727154 /nfs/dbraw/zinc/72/71/54/1074727154.db2.gz FWKYMHKLAGKXMV-PKOBYXMFSA-N 1 1 409.552 0.839 20 0 HCADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2C[C@H](O)[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000534863497 1074727257 /nfs/dbraw/zinc/72/72/57/1074727257.db2.gz LDVVQTXHKQJOQR-KBPBESRZSA-N 1 1 411.503 0.013 20 0 HCADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c(=O)[nH]c1=O ZINC000534863497 1074727248 /nfs/dbraw/zinc/72/72/48/1074727248.db2.gz LDVVQTXHKQJOQR-KBPBESRZSA-N 1 1 411.503 0.013 20 0 HCADMO 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CCCCS(=O)(=O)NCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000534864231 1074727910 /nfs/dbraw/zinc/72/79/10/1074727910.db2.gz YTBVFBJOHAGKQD-UHFFFAOYSA-N 1 1 410.540 0.661 20 0 HCADMO CC1(C)NC(=O)N(CCCC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865014 1074723106 /nfs/dbraw/zinc/72/31/06/1074723106.db2.gz BACNWYCNNDLQGJ-DLBZAZTESA-N 1 1 402.495 0.849 20 0 HCADMO CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865015 1074722954 /nfs/dbraw/zinc/72/29/54/1074722954.db2.gz BACNWYCNNDLQGJ-IAGOWNOFSA-N 1 1 402.495 0.849 20 0 HCADMO CC1(C)NC(=O)N(CCCC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865016 1074723087 /nfs/dbraw/zinc/72/30/87/1074723087.db2.gz BACNWYCNNDLQGJ-IRXDYDNUSA-N 1 1 402.495 0.849 20 0 HCADMO CC1(C)NC(=O)N(CCCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865017 1074723181 /nfs/dbraw/zinc/72/31/81/1074723181.db2.gz BACNWYCNNDLQGJ-SJORKVTESA-N 1 1 402.495 0.849 20 0 HCADMO CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865788 1074728394 /nfs/dbraw/zinc/72/83/94/1074728394.db2.gz XWCOUUSTVOZNFQ-DLBZAZTESA-N 1 1 402.495 0.849 20 0 HCADMO CCC1(CC)NC(=O)N(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865792 1074728300 /nfs/dbraw/zinc/72/83/00/1074728300.db2.gz XWCOUUSTVOZNFQ-IRXDYDNUSA-N 1 1 402.495 0.849 20 0 HCADMO CCC1(CC)NC(=O)N(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1=O ZINC000534865794 1074728085 /nfs/dbraw/zinc/72/80/85/1074728085.db2.gz XWCOUUSTVOZNFQ-SJORKVTESA-N 1 1 402.495 0.849 20 0 HCADMO COCCO[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000534865821 1074728505 /nfs/dbraw/zinc/72/85/05/1074728505.db2.gz ZDRBXSULVXHICP-FQEVSTJZSA-N 1 1 419.522 0.903 20 0 HCADMO COCCO[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000534865821 1074728491 /nfs/dbraw/zinc/72/84/91/1074728491.db2.gz ZDRBXSULVXHICP-FQEVSTJZSA-N 1 1 419.522 0.903 20 0 HCADMO COCCO[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000534865824 1074728186 /nfs/dbraw/zinc/72/81/86/1074728186.db2.gz ZDRBXSULVXHICP-HXUWFJFHSA-N 1 1 419.522 0.903 20 0 HCADMO COCCO[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000534865824 1074728178 /nfs/dbraw/zinc/72/81/78/1074728178.db2.gz ZDRBXSULVXHICP-HXUWFJFHSA-N 1 1 419.522 0.903 20 0 HCADMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534866290 1074723157 /nfs/dbraw/zinc/72/31/57/1074723157.db2.gz QYNVWMWIQLQHDM-DLBZAZTESA-N 1 1 408.458 0.854 20 0 HCADMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534866291 1074722898 /nfs/dbraw/zinc/72/28/98/1074722898.db2.gz QYNVWMWIQLQHDM-IAGOWNOFSA-N 1 1 408.458 0.854 20 0 HCADMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000534866292 1074722991 /nfs/dbraw/zinc/72/29/91/1074722991.db2.gz QYNVWMWIQLQHDM-IRXDYDNUSA-N 1 1 408.458 0.854 20 0 HCADMO 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ZINC000534870602 1074723999 /nfs/dbraw/zinc/72/39/99/1074723999.db2.gz UIQCTBFDOOPDHB-MRXNPFEDSA-N 1 1 405.474 0.784 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC(CS(N)(=O)=O)CC3)CC2)c1 ZINC000534875830 1074724560 /nfs/dbraw/zinc/72/45/60/1074724560.db2.gz CVKDIXPWRQHNKL-UHFFFAOYSA-N 1 1 408.568 0.640 20 0 HCADMO NS(=O)(=O)C1CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000534876031 1074725298 /nfs/dbraw/zinc/72/52/98/1074725298.db2.gz MJIASAAOAMBWQJ-UHFFFAOYSA-N 1 1 400.932 0.742 20 0 HCADMO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876267 1074725394 /nfs/dbraw/zinc/72/53/94/1074725394.db2.gz SIGOXPCGJSCVJA-AWEZNQCLSA-N 1 1 411.524 0.506 20 0 HCADMO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000534876268 1074725437 /nfs/dbraw/zinc/72/54/37/1074725437.db2.gz SIGOXPCGJSCVJA-CQSZACIVSA-N 1 1 411.524 0.506 20 0 HCADMO COc1ccc(CN2CCN(C(=O)C[NH+]3CCC(S(N)(=O)=O)CC3)CC2)cc1 ZINC000534876546 1074724833 /nfs/dbraw/zinc/72/48/33/1074724833.db2.gz 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NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000534891149 1074728109 /nfs/dbraw/zinc/72/81/09/1074728109.db2.gz DELLSXXMZAJYNR-RDJZCZTQSA-N 1 1 405.474 0.960 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000534891150 1074728064 /nfs/dbraw/zinc/72/80/64/1074728064.db2.gz DELLSXXMZAJYNR-WBVHZDCISA-N 1 1 405.474 0.960 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cccc(C(N)=O)n3)CC2)CC1 ZINC000534896663 1074729161 /nfs/dbraw/zinc/72/91/61/1074729161.db2.gz LTGCPJOYNDBSAG-UHFFFAOYSA-N 1 1 402.499 0.979 20 0 HCADMO Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)nn1C(F)F ZINC000534903776 1074733031 /nfs/dbraw/zinc/73/30/31/1074733031.db2.gz BYTZJRJMAQIXLI-UHFFFAOYSA-N 1 1 412.485 0.897 20 0 HCADMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000534904543 1074733553 /nfs/dbraw/zinc/73/35/53/1074733553.db2.gz ANIWCTNYVZLIBM-GDBMZVCRSA-N 1 1 411.524 0.819 20 0 HCADMO 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C[C@]1(CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)NC(=O)NC1=O ZINC000534916350 1074731133 /nfs/dbraw/zinc/73/11/33/1074731133.db2.gz CFPGMFQKGLAJCH-XGHQBKJUSA-N 1 1 402.495 0.754 20 0 HCADMO CN1CC(=O)N(CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917301 1074731549 /nfs/dbraw/zinc/73/15/49/1074731549.db2.gz KQJCJVVXIYLWTD-MSOLQXFVSA-N 1 1 402.495 0.660 20 0 HCADMO CN1CC(=O)N(CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1=O ZINC000534917302 1074731472 /nfs/dbraw/zinc/73/14/72/1074731472.db2.gz KQJCJVVXIYLWTD-QZTJIDSGSA-N 1 1 402.495 0.660 20 0 HCADMO CN1CC(=O)N(CCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917303 1074731693 /nfs/dbraw/zinc/73/16/93/1074731693.db2.gz KQJCJVVXIYLWTD-ROUUACIJSA-N 1 1 402.495 0.660 20 0 HCADMO CN1CC(=O)N(CCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1=O ZINC000534917304 1074731664 /nfs/dbraw/zinc/73/16/64/1074731664.db2.gz KQJCJVVXIYLWTD-ZWKOTPCHSA-N 1 1 402.495 0.660 20 0 HCADMO 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Cc1nnc(CN(C)CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918185 1074731746 /nfs/dbraw/zinc/73/17/46/1074731746.db2.gz XXPXSPCCSXDRTE-OALUTQOASA-N 1 1 400.527 0.555 20 0 HCADMO Cc1nnc(CN(C)CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000534918186 1074731714 /nfs/dbraw/zinc/73/17/14/1074731714.db2.gz XXPXSPCCSXDRTE-RBUKOAKNSA-N 1 1 400.527 0.555 20 0 HCADMO Cc1nnc(CN(C)CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000534918187 1074731447 /nfs/dbraw/zinc/73/14/47/1074731447.db2.gz XXPXSPCCSXDRTE-RTBURBONSA-N 1 1 400.527 0.555 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919391 1074735198 /nfs/dbraw/zinc/73/51/98/1074735198.db2.gz YDNCOPDLYNLMSC-HOJAQTOUSA-N 1 1 413.522 0.902 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919392 1074735352 /nfs/dbraw/zinc/73/53/52/1074735352.db2.gz YDNCOPDLYNLMSC-MISYRCLQSA-N 1 1 413.522 0.902 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)n1cccn1 ZINC000534919393 1074735559 /nfs/dbraw/zinc/73/55/59/1074735559.db2.gz YDNCOPDLYNLMSC-RLLQIKCJSA-N 1 1 413.522 0.902 20 0 HCADMO C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)n1cccn1 ZINC000534919394 1074735520 /nfs/dbraw/zinc/73/55/20/1074735520.db2.gz YDNCOPDLYNLMSC-YZGWKJHDSA-N 1 1 413.522 0.902 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)co1 ZINC000534920365 1074735317 /nfs/dbraw/zinc/73/53/17/1074735317.db2.gz VGYKTUMQGXUOES-DOTOQJQBSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)co1 ZINC000534920365 1074735305 /nfs/dbraw/zinc/73/53/05/1074735305.db2.gz VGYKTUMQGXUOES-DOTOQJQBSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)co1 ZINC000534920366 1074735235 /nfs/dbraw/zinc/73/52/35/1074735235.db2.gz VGYKTUMQGXUOES-NVXWUHKLSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)co1 ZINC000534920366 1074735226 /nfs/dbraw/zinc/73/52/26/1074735226.db2.gz VGYKTUMQGXUOES-NVXWUHKLSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)co1 ZINC000534920367 1074735489 /nfs/dbraw/zinc/73/54/89/1074735489.db2.gz VGYKTUMQGXUOES-RDJZCZTQSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)co1 ZINC000534920367 1074735484 /nfs/dbraw/zinc/73/54/84/1074735484.db2.gz VGYKTUMQGXUOES-RDJZCZTQSA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)co1 ZINC000534920368 1074735417 /nfs/dbraw/zinc/73/54/17/1074735417.db2.gz VGYKTUMQGXUOES-WBVHZDCISA-N 1 1 407.492 0.801 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)co1 ZINC000534920368 1074735411 /nfs/dbraw/zinc/73/54/11/1074735411.db2.gz VGYKTUMQGXUOES-WBVHZDCISA-N 1 1 407.492 0.801 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534920518 1074735534 /nfs/dbraw/zinc/73/55/34/1074735534.db2.gz NBBHLQZOFOWPEB-AZUAARDMSA-N 1 1 417.531 0.876 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000534920519 1074735439 /nfs/dbraw/zinc/73/54/39/1074735439.db2.gz NBBHLQZOFOWPEB-ICSRJNTNSA-N 1 1 417.531 0.876 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534920520 1074735505 /nfs/dbraw/zinc/73/55/05/1074735505.db2.gz NBBHLQZOFOWPEB-QUCCMNQESA-N 1 1 417.531 0.876 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000534920521 1074735392 /nfs/dbraw/zinc/73/53/92/1074735392.db2.gz NBBHLQZOFOWPEB-UYAOXDASSA-N 1 1 417.531 0.876 20 0 HCADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921444 1074735707 /nfs/dbraw/zinc/73/57/07/1074735707.db2.gz BPWJNASYILYRIC-APWZRJJASA-N 1 1 408.458 0.829 20 0 HCADMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921445 1074735828 /nfs/dbraw/zinc/73/58/28/1074735828.db2.gz BPWJNASYILYRIC-LPHOPBHVSA-N 1 1 408.458 0.829 20 0 HCADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921446 1074735887 /nfs/dbraw/zinc/73/58/87/1074735887.db2.gz BPWJNASYILYRIC-QFBILLFUSA-N 1 1 408.458 0.829 20 0 HCADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534921448 1074735786 /nfs/dbraw/zinc/73/57/86/1074735786.db2.gz BPWJNASYILYRIC-VQIMIIECSA-N 1 1 408.458 0.829 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000534921909 1074736123 /nfs/dbraw/zinc/73/61/23/1074736123.db2.gz HPOYGESNIPAZKJ-DOTOQJQBSA-N 1 1 423.560 0.937 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000534921911 1074736236 /nfs/dbraw/zinc/73/62/36/1074736236.db2.gz HPOYGESNIPAZKJ-NVXWUHKLSA-N 1 1 423.560 0.937 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1 ZINC000534921913 1074736062 /nfs/dbraw/zinc/73/60/62/1074736062.db2.gz HPOYGESNIPAZKJ-RDJZCZTQSA-N 1 1 423.560 0.937 20 0 HCADMO NS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1 ZINC000534921914 1074736098 /nfs/dbraw/zinc/73/60/98/1074736098.db2.gz HPOYGESNIPAZKJ-WBVHZDCISA-N 1 1 423.560 0.937 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)C1 ZINC000534923984 1074736162 /nfs/dbraw/zinc/73/61/62/1074736162.db2.gz DFCNIAPQEXCJFH-LLVKDONJSA-N 1 1 401.389 0.743 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)C1 ZINC000534923985 1074736225 /nfs/dbraw/zinc/73/62/25/1074736225.db2.gz DFCNIAPQEXCJFH-NSHDSACASA-N 1 1 401.389 0.743 20 0 HCADMO CC(C)Cn1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(C(F)F)n1 ZINC000534925057 1074736497 /nfs/dbraw/zinc/73/64/97/1074736497.db2.gz KQFFPFSOPDQYMB-CYBMUJFWSA-N 1 1 414.457 0.871 20 0 HCADMO CC(C)Cn1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C(F)F)n1 ZINC000534925061 1074736566 /nfs/dbraw/zinc/73/65/66/1074736566.db2.gz KQFFPFSOPDQYMB-ZDUSSCGKSA-N 1 1 414.457 0.871 20 0 HCADMO Cn1nc2c(c1NC(=O)C(=O)NCC1(N3CCCCC3)CC[NH+](C)CC1)CCC2 ZINC000534925271 1074736521 /nfs/dbraw/zinc/73/65/21/1074736521.db2.gz CQDRNJYEZFXWOH-UHFFFAOYSA-N 1 1 402.543 0.914 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)n(-c2ccccc2)n1 ZINC000534926057 1074736915 /nfs/dbraw/zinc/73/69/15/1074736915.db2.gz CFOMBIWOCLZXRO-UHFFFAOYSA-N 1 1 412.494 0.788 20 0 HCADMO Cc1ccccc1-n1nccc1NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000534929105 1074736898 /nfs/dbraw/zinc/73/68/98/1074736898.db2.gz AEWVAQLULDAGCN-UHFFFAOYSA-N 1 1 412.494 0.742 20 0 HCADMO Cc1ccc(Br)c(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000534937076 1074734565 /nfs/dbraw/zinc/73/45/65/1074734565.db2.gz CRZCXYZLLQQEOE-UHFFFAOYSA-N 1 1 411.300 0.976 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)n(-c2ccccc2C)n1 ZINC000534937515 1074734608 /nfs/dbraw/zinc/73/46/08/1074734608.db2.gz OXWTUMZBLFIBJG-UHFFFAOYSA-N 1 1 412.494 0.708 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000534940428 1074738271 /nfs/dbraw/zinc/73/82/71/1074738271.db2.gz DBUHUDRIEPKSQG-HNNXBMFYSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000534940428 1074738264 /nfs/dbraw/zinc/73/82/64/1074738264.db2.gz DBUHUDRIEPKSQG-HNNXBMFYSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000534940429 1074738415 /nfs/dbraw/zinc/73/84/15/1074738415.db2.gz DBUHUDRIEPKSQG-OAHLLOKOSA-N 1 1 411.572 0.619 20 0 HCADMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000534940429 1074738411 /nfs/dbraw/zinc/73/84/11/1074738411.db2.gz DBUHUDRIEPKSQG-OAHLLOKOSA-N 1 1 411.572 0.619 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(c2ncccc2F)CC1 ZINC000534951490 1074739311 /nfs/dbraw/zinc/73/93/11/1074739311.db2.gz PLJDJXQOKVYBLG-SFHVURJKSA-N 1 1 419.501 0.583 20 0 HCADMO Cn1c2[nH]c(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2c(=O)n(C)c1=O ZINC000534952018 1074739260 /nfs/dbraw/zinc/73/92/60/1074739260.db2.gz RVORMYJANLXDTB-UHFFFAOYSA-N 1 1 400.458 0.807 20 0 HCADMO CS[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@H]1[NH+](C)C ZINC000534952036 1074739802 /nfs/dbraw/zinc/73/98/02/1074739802.db2.gz SOZAGFSMTGYHFF-BRWVUGGUSA-N 1 1 403.614 0.922 20 0 HCADMO CS[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C[C@H]1[NH+](C)C ZINC000534952037 1074739775 /nfs/dbraw/zinc/73/97/75/1074739775.db2.gz SOZAGFSMTGYHFF-GVDBMIGSSA-N 1 1 403.614 0.922 20 0 HCADMO CS[C@@H]1CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1[NH+](C)C ZINC000534952038 1074739793 /nfs/dbraw/zinc/73/97/93/1074739793.db2.gz SOZAGFSMTGYHFF-IXDOHACOSA-N 1 1 403.614 0.922 20 0 HCADMO CS[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C[C@@H]1[NH+](C)C ZINC000534952039 1074739694 /nfs/dbraw/zinc/73/96/94/1074739694.db2.gz SOZAGFSMTGYHFF-YESZJQIVSA-N 1 1 403.614 0.922 20 0 HCADMO CN(CCCN1CC[NH+](C)CC1)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000534954120 1074740426 /nfs/dbraw/zinc/74/04/26/1074740426.db2.gz DAPDNURXLJPCBI-IBGZPJMESA-N 1 1 414.616 0.514 20 0 HCADMO CN(CCCN1CC[NH+](C)CC1)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000534954121 1074740512 /nfs/dbraw/zinc/74/05/12/1074740512.db2.gz DAPDNURXLJPCBI-LJQANCHMSA-N 1 1 414.616 0.514 20 0 HCADMO CC(C)Cn1c(N)c(C(=O)CN(C)CCN(C)C2CC[NH+](C)CC2)c(=O)[nH]c1=O ZINC000534954864 1074740022 /nfs/dbraw/zinc/74/00/22/1074740022.db2.gz SMIPJGPOVSPQNK-UHFFFAOYSA-N 1 1 408.547 0.328 20 0 HCADMO CC(C)Cn1c(N)c(C(=O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(=O)[nH]c1=O ZINC000534954864 1074740014 /nfs/dbraw/zinc/74/00/14/1074740014.db2.gz SMIPJGPOVSPQNK-UHFFFAOYSA-N 1 1 408.547 0.328 20 0 HCADMO NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000534957711 1074737614 /nfs/dbraw/zinc/73/76/14/1074737614.db2.gz ODFDTNPTTXTJJY-DLBZAZTESA-N 1 1 402.499 0.336 20 0 HCADMO NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000534957712 1074737875 /nfs/dbraw/zinc/73/78/75/1074737875.db2.gz ODFDTNPTTXTJJY-IAGOWNOFSA-N 1 1 402.499 0.336 20 0 HCADMO NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000534957713 1074738026 /nfs/dbraw/zinc/73/80/26/1074738026.db2.gz ODFDTNPTTXTJJY-IRXDYDNUSA-N 1 1 402.499 0.336 20 0 HCADMO NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000534957914 1074740633 /nfs/dbraw/zinc/74/06/33/1074740633.db2.gz ODFDTNPTTXTJJY-SJORKVTESA-N 1 1 402.499 0.336 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000534957942 1074737830 /nfs/dbraw/zinc/73/78/30/1074737830.db2.gz PQCLMPUVGBBNPW-KRWDZBQOSA-N 1 1 402.499 0.668 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000534957943 1074737949 /nfs/dbraw/zinc/73/79/49/1074737949.db2.gz PQCLMPUVGBBNPW-QGZVFWFLSA-N 1 1 402.499 0.668 20 0 HCADMO COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC[C@H](NC(N)=O)C3)CC2)cc1OC ZINC000534966926 1074740830 /nfs/dbraw/zinc/74/08/30/1074740830.db2.gz OUVPBMDJDLXLSW-KRWDZBQOSA-N 1 1 419.526 0.399 20 0 HCADMO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC[C@H](NC(N)=O)C3)CC2)cc1OC ZINC000534966926 1074740822 /nfs/dbraw/zinc/74/08/22/1074740822.db2.gz OUVPBMDJDLXLSW-KRWDZBQOSA-N 1 1 419.526 0.399 20 0 HCADMO COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC[C@@H](NC(N)=O)C3)CC2)cc1OC ZINC000534966927 1074740958 /nfs/dbraw/zinc/74/09/58/1074740958.db2.gz OUVPBMDJDLXLSW-QGZVFWFLSA-N 1 1 419.526 0.399 20 0 HCADMO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC[C@@H](NC(N)=O)C3)CC2)cc1OC ZINC000534966927 1074740949 /nfs/dbraw/zinc/74/09/49/1074740949.db2.gz OUVPBMDJDLXLSW-QGZVFWFLSA-N 1 1 419.526 0.399 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000534983877 1074744882 /nfs/dbraw/zinc/74/48/82/1074744882.db2.gz IIILEDADBDCDAW-CVEARBPZSA-N 1 1 420.476 0.795 20 0 HCADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000534983878 1074744801 /nfs/dbraw/zinc/74/48/01/1074744801.db2.gz IIILEDADBDCDAW-HOTGVXAUSA-N 1 1 420.476 0.795 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000534983879 1074745011 /nfs/dbraw/zinc/74/50/11/1074745011.db2.gz IIILEDADBDCDAW-HZPDHXFCSA-N 1 1 420.476 0.795 20 0 HCADMO C[C@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000534983880 1074744918 /nfs/dbraw/zinc/74/49/18/1074744918.db2.gz IIILEDADBDCDAW-JKSUJKDBSA-N 1 1 420.476 0.795 20 0 HCADMO CC[C@@H](C)n1ncc(NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1C1CC1 ZINC000534990046 1074745723 /nfs/dbraw/zinc/74/57/23/1074745723.db2.gz SHEDXGJOCHHANX-CYBMUJFWSA-N 1 1 404.515 0.997 20 0 HCADMO CC[C@H](C)n1ncc(NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1C1CC1 ZINC000534990047 1074745636 /nfs/dbraw/zinc/74/56/36/1074745636.db2.gz SHEDXGJOCHHANX-ZDUSSCGKSA-N 1 1 404.515 0.997 20 0 HCADMO NC(=O)N[C@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000534991821 1074745757 /nfs/dbraw/zinc/74/57/57/1074745757.db2.gz ZIGMLXSYZLKPDS-KRWDZBQOSA-N 1 1 418.498 0.300 20 0 HCADMO NC(=O)N[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000534991822 1074745695 /nfs/dbraw/zinc/74/56/95/1074745695.db2.gz ZIGMLXSYZLKPDS-QGZVFWFLSA-N 1 1 418.498 0.300 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000534992444 1074746057 /nfs/dbraw/zinc/74/60/57/1074746057.db2.gz UMLAJSDFGMQIKS-UHFFFAOYSA-N 1 1 405.524 0.972 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc(C3CC3)nc21 ZINC000534993945 1074746074 /nfs/dbraw/zinc/74/60/74/1074746074.db2.gz JXTDGHCQGNSJTG-AWEZNQCLSA-N 1 1 415.494 0.878 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc(C3CC3)nc21 ZINC000534993946 1074746113 /nfs/dbraw/zinc/74/61/13/1074746113.db2.gz JXTDGHCQGNSJTG-CQSZACIVSA-N 1 1 415.494 0.878 20 0 HCADMO C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008769 1074746334 /nfs/dbraw/zinc/74/63/34/1074746334.db2.gz JDQBFRJTHJUGDS-KBXCAEBGSA-N 1 1 408.462 0.848 20 0 HCADMO C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008769 1074746329 /nfs/dbraw/zinc/74/63/29/1074746329.db2.gz JDQBFRJTHJUGDS-KBXCAEBGSA-N 1 1 408.462 0.848 20 0 HCADMO C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008770 1074746362 /nfs/dbraw/zinc/74/63/62/1074746362.db2.gz JDQBFRJTHJUGDS-KDOFPFPSSA-N 1 1 408.462 0.848 20 0 HCADMO C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008770 1074746354 /nfs/dbraw/zinc/74/63/54/1074746354.db2.gz JDQBFRJTHJUGDS-KDOFPFPSSA-N 1 1 408.462 0.848 20 0 HCADMO C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008771 1074746476 /nfs/dbraw/zinc/74/64/76/1074746476.db2.gz JDQBFRJTHJUGDS-KSSFIOAISA-N 1 1 408.462 0.848 20 0 HCADMO C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008771 1074746470 /nfs/dbraw/zinc/74/64/70/1074746470.db2.gz JDQBFRJTHJUGDS-KSSFIOAISA-N 1 1 408.462 0.848 20 0 HCADMO C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535008772 1074746776 /nfs/dbraw/zinc/74/67/76/1074746776.db2.gz JDQBFRJTHJUGDS-RDTXWAMCSA-N 1 1 408.462 0.848 20 0 HCADMO C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535008772 1074746767 /nfs/dbraw/zinc/74/67/67/1074746767.db2.gz JDQBFRJTHJUGDS-RDTXWAMCSA-N 1 1 408.462 0.848 20 0 HCADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000535013991 1074746661 /nfs/dbraw/zinc/74/66/61/1074746661.db2.gz IYNJXLHCRKAIAK-CXAGYDPISA-N 1 1 406.458 0.836 20 0 HCADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000535013992 1074746743 /nfs/dbraw/zinc/74/67/43/1074746743.db2.gz IYNJXLHCRKAIAK-DYVFJYSZSA-N 1 1 406.458 0.836 20 0 HCADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000535013993 1074746897 /nfs/dbraw/zinc/74/68/97/1074746897.db2.gz IYNJXLHCRKAIAK-GUYCJALGSA-N 1 1 406.458 0.836 20 0 HCADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000535013994 1074746874 /nfs/dbraw/zinc/74/68/74/1074746874.db2.gz IYNJXLHCRKAIAK-SUMWQHHRSA-N 1 1 406.458 0.836 20 0 HCADMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000535024143 1074748699 /nfs/dbraw/zinc/74/86/99/1074748699.db2.gz CIUJGXGTXFYMBN-BRWVUGGUSA-N 1 1 410.540 0.404 20 0 HCADMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000535024144 1074748638 /nfs/dbraw/zinc/74/86/38/1074748638.db2.gz CIUJGXGTXFYMBN-IKGGRYGDSA-N 1 1 410.540 0.404 20 0 HCADMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000535024145 1074748821 /nfs/dbraw/zinc/74/88/21/1074748821.db2.gz CIUJGXGTXFYMBN-IXDOHACOSA-N 1 1 410.540 0.404 20 0 HCADMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000535024146 1074749148 /nfs/dbraw/zinc/74/91/48/1074749148.db2.gz CIUJGXGTXFYMBN-ZACQAIPSSA-N 1 1 410.540 0.404 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000535026270 1074749159 /nfs/dbraw/zinc/74/91/59/1074749159.db2.gz HRSOZIPLQRBUKJ-HNNXBMFYSA-N 1 1 403.508 0.670 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000535026272 1074749004 /nfs/dbraw/zinc/74/90/04/1074749004.db2.gz HRSOZIPLQRBUKJ-OAHLLOKOSA-N 1 1 403.508 0.670 20 0 HCADMO CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)CC[N@H+]1CCOC ZINC000535040292 1074748308 /nfs/dbraw/zinc/74/83/08/1074748308.db2.gz OSXUXXBSFNGYPI-DLBZAZTESA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)CC[N@@H+]1CCOC ZINC000535040292 1074748298 /nfs/dbraw/zinc/74/82/98/1074748298.db2.gz OSXUXXBSFNGYPI-DLBZAZTESA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)CC[N@H+]1CCOC ZINC000535040296 1074748356 /nfs/dbraw/zinc/74/83/56/1074748356.db2.gz OSXUXXBSFNGYPI-IAGOWNOFSA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)CC[N@@H+]1CCOC ZINC000535040296 1074748345 /nfs/dbraw/zinc/74/83/45/1074748345.db2.gz OSXUXXBSFNGYPI-IAGOWNOFSA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)CC[N@H+]1CCOC ZINC000535040297 1074748476 /nfs/dbraw/zinc/74/84/76/1074748476.db2.gz OSXUXXBSFNGYPI-IRXDYDNUSA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)CC[N@@H+]1CCOC ZINC000535040297 1074748472 /nfs/dbraw/zinc/74/84/72/1074748472.db2.gz OSXUXXBSFNGYPI-IRXDYDNUSA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)CC[N@H+]1CCOC ZINC000535040298 1074748280 /nfs/dbraw/zinc/74/82/80/1074748280.db2.gz OSXUXXBSFNGYPI-SJORKVTESA-N 1 1 405.561 0.939 20 0 HCADMO CCC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)CC[N@@H+]1CCOC ZINC000535040298 1074748269 /nfs/dbraw/zinc/74/82/69/1074748269.db2.gz OSXUXXBSFNGYPI-SJORKVTESA-N 1 1 405.561 0.939 20 0 HCADMO CO[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000535047140 1074750018 /nfs/dbraw/zinc/75/00/18/1074750018.db2.gz XFUFRSNLNSYWJT-GOSISDBHSA-N 1 1 402.495 0.579 20 0 HCADMO CO[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000535047142 1074750098 /nfs/dbraw/zinc/75/00/98/1074750098.db2.gz XFUFRSNLNSYWJT-SFHVURJKSA-N 1 1 402.495 0.579 20 0 HCADMO CO[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC000535047698 1074749796 /nfs/dbraw/zinc/74/97/96/1074749796.db2.gz XLRCLRNBMALGMH-GOSISDBHSA-N 1 1 423.535 0.833 20 0 HCADMO CO[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC000535047699 1074749719 /nfs/dbraw/zinc/74/97/19/1074749719.db2.gz XLRCLRNBMALGMH-SFHVURJKSA-N 1 1 423.535 0.833 20 0 HCADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC000535049316 1074750333 /nfs/dbraw/zinc/75/03/33/1074750333.db2.gz HSYBYICIECFGLU-UHFFFAOYSA-N 1 1 400.545 0.883 20 0 HCADMO COCCNc1nc(NC2C[C@H](C)O[C@@H](C)C2)[nH+]c(NC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000535051315 1074750381 /nfs/dbraw/zinc/75/03/81/1074750381.db2.gz ACCPGSNATDZCHZ-AJNGGQMLSA-N 1 1 408.547 0.931 20 0 HCADMO COCCNc1nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH+]c(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000535051320 1074750409 /nfs/dbraw/zinc/75/04/09/1074750409.db2.gz ACCPGSNATDZCHZ-ZKOZSGJDSA-N 1 1 408.547 0.931 20 0 HCADMO COc1ccnc2c(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cccc12 ZINC000535059544 1074751085 /nfs/dbraw/zinc/75/10/85/1074751085.db2.gz JQSKEGXQENVWQM-AWEZNQCLSA-N 1 1 413.478 0.886 20 0 HCADMO COc1ccnc2c(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cccc12 ZINC000535059565 1074751062 /nfs/dbraw/zinc/75/10/62/1074751062.db2.gz JQSKEGXQENVWQM-CQSZACIVSA-N 1 1 413.478 0.886 20 0 HCADMO COc1ccnc2c(NC(=O)C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)cccc12 ZINC000535063240 1074749765 /nfs/dbraw/zinc/74/97/65/1074749765.db2.gz JYTJDNCUZFLUHG-UHFFFAOYSA-N 1 1 413.478 0.804 20 0 HCADMO C[NH+]1CCN([C@@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c2cccs2)CC1 ZINC000535079384 1074752305 /nfs/dbraw/zinc/75/23/05/1074752305.db2.gz MGXUQDGUWZFLJN-CABCVRRESA-N 1 1 416.569 0.149 20 0 HCADMO C[NH+]1CCN([C@@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)c2cccs2)CC1 ZINC000535079385 1074752172 /nfs/dbraw/zinc/75/21/72/1074752172.db2.gz MGXUQDGUWZFLJN-GJZGRUSLSA-N 1 1 416.569 0.149 20 0 HCADMO C[NH+]1CCN([C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)c2cccs2)CC1 ZINC000535079386 1074752124 /nfs/dbraw/zinc/75/21/24/1074752124.db2.gz MGXUQDGUWZFLJN-HUUCEWRRSA-N 1 1 416.569 0.149 20 0 HCADMO C[NH+]1CCN([C@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)c2cccs2)CC1 ZINC000535079387 1074752229 /nfs/dbraw/zinc/75/22/29/1074752229.db2.gz MGXUQDGUWZFLJN-LSDHHAIUSA-N 1 1 416.569 0.149 20 0 HCADMO C[C@](O)(CNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)C[NH+]1CCOCC1 ZINC000535081170 1074751099 /nfs/dbraw/zinc/75/10/99/1074751099.db2.gz OPBLECALHICWOS-IBGZPJMESA-N 1 1 404.492 0.948 20 0 HCADMO C[C@@](O)(CNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1)C[NH+]1CCOCC1 ZINC000535081181 1074751007 /nfs/dbraw/zinc/75/10/07/1074751007.db2.gz OPBLECALHICWOS-LJQANCHMSA-N 1 1 404.492 0.948 20 0 HCADMO COC(=O)c1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc(C(=O)OC)c1 ZINC000535086543 1074751114 /nfs/dbraw/zinc/75/11/14/1074751114.db2.gz AXGHIQYQPCTTQG-AWEZNQCLSA-N 1 1 405.451 0.999 20 0 HCADMO COC(=O)c1cc(NC(=O)C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)cc(C(=O)OC)c1 ZINC000535086565 1074751435 /nfs/dbraw/zinc/75/14/35/1074751435.db2.gz AXGHIQYQPCTTQG-CQSZACIVSA-N 1 1 405.451 0.999 20 0 HCADMO CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000535087875 1074751395 /nfs/dbraw/zinc/75/13/95/1074751395.db2.gz JEWSPPNLUKNRQT-AEFFLSMTSA-N 1 1 402.495 0.632 20 0 HCADMO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000535087876 1074751288 /nfs/dbraw/zinc/75/12/88/1074751288.db2.gz JEWSPPNLUKNRQT-FUHWJXTLSA-N 1 1 402.495 0.632 20 0 HCADMO CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000535087877 1074751471 /nfs/dbraw/zinc/75/14/71/1074751471.db2.gz JEWSPPNLUKNRQT-SJLPKXTDSA-N 1 1 402.495 0.632 20 0 HCADMO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000535088075 1074751792 /nfs/dbraw/zinc/75/17/92/1074751792.db2.gz JEWSPPNLUKNRQT-WMZOPIPTSA-N 1 1 402.495 0.632 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@H](C)S(C)(=O)=O)CC2)CC1 ZINC000535091320 1074753725 /nfs/dbraw/zinc/75/37/25/1074753725.db2.gz YMUJRUGDGJGLSR-HNNXBMFYSA-N 1 1 402.561 0.395 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)CC2)CC1 ZINC000535091321 1074753795 /nfs/dbraw/zinc/75/37/95/1074753795.db2.gz YMUJRUGDGJGLSR-OAHLLOKOSA-N 1 1 402.561 0.395 20 0 HCADMO CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000535092596 1074754173 /nfs/dbraw/zinc/75/41/73/1074754173.db2.gz MXTOAFZRUPWFRL-UHFFFAOYSA-N 1 1 424.505 0.790 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000535092866 1074753751 /nfs/dbraw/zinc/75/37/51/1074753751.db2.gz YROLPEQAHUTJML-FQEVSTJZSA-N 1 1 402.539 0.492 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000535092867 1074753867 /nfs/dbraw/zinc/75/38/67/1074753867.db2.gz YROLPEQAHUTJML-HXUWFJFHSA-N 1 1 402.539 0.492 20 0 HCADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535109025 1074752617 /nfs/dbraw/zinc/75/26/17/1074752617.db2.gz CKQFDFITJFIWCQ-IBGZPJMESA-N 1 1 423.583 0.657 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535109073 1074752590 /nfs/dbraw/zinc/75/25/90/1074752590.db2.gz CKQFDFITJFIWCQ-LJQANCHMSA-N 1 1 423.583 0.657 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000535110917 1074757239 /nfs/dbraw/zinc/75/72/39/1074757239.db2.gz KPUNTZGXLUSIFN-UHFFFAOYSA-N 1 1 412.556 0.990 20 0 HCADMO CCc1noc(C)c1NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535116619 1074755365 /nfs/dbraw/zinc/75/53/65/1074755365.db2.gz NSGJSQJIWMSPQH-UHFFFAOYSA-N 1 1 405.499 0.887 20 0 HCADMO C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@H]1O ZINC000535117587 1074755421 /nfs/dbraw/zinc/75/54/21/1074755421.db2.gz VARLXCJLCLKURI-HLIPFELVSA-N 1 1 417.506 0.590 20 0 HCADMO C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@H]1O ZINC000535117595 1074755593 /nfs/dbraw/zinc/75/55/93/1074755593.db2.gz VARLXCJLCLKURI-QKLQHJQFSA-N 1 1 417.506 0.590 20 0 HCADMO C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H]1CCC[C@@H]1O ZINC000535117598 1074755566 /nfs/dbraw/zinc/75/55/66/1074755566.db2.gz VARLXCJLCLKURI-UWVAXJGDSA-N 1 1 417.506 0.590 20 0 HCADMO C[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535117601 1074755508 /nfs/dbraw/zinc/75/55/08/1074755508.db2.gz VARLXCJLCLKURI-ZWOKBUDYSA-N 1 1 417.506 0.590 20 0 HCADMO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000535118558 1074755798 /nfs/dbraw/zinc/75/57/98/1074755798.db2.gz YRFKKXCCWUKDBG-UHFFFAOYSA-N 1 1 401.471 0.602 20 0 HCADMO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C2=O ZINC000535120125 1074756386 /nfs/dbraw/zinc/75/63/86/1074756386.db2.gz GPUDCWJZYQCYRQ-UHFFFAOYSA-N 1 1 407.515 0.110 20 0 HCADMO COc1cc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc(NC(C)=O)c1OC ZINC000535120496 1074756348 /nfs/dbraw/zinc/75/63/48/1074756348.db2.gz HABMWVWDTMVOBO-UHFFFAOYSA-N 1 1 406.483 0.898 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000535121675 1074756403 /nfs/dbraw/zinc/75/64/03/1074756403.db2.gz PDRDTHGQVRCBLE-HNNXBMFYSA-N 1 1 408.449 0.940 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000535121690 1074756283 /nfs/dbraw/zinc/75/62/83/1074756283.db2.gz PDRDTHGQVRCBLE-OAHLLOKOSA-N 1 1 408.449 0.940 20 0 HCADMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)ccc2N1S(C)(=O)=O ZINC000535121691 1074756423 /nfs/dbraw/zinc/75/64/23/1074756423.db2.gz PEBOVGUSFCTZAF-HNNXBMFYSA-N 1 1 422.551 0.633 20 0 HCADMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)ccc2N1S(C)(=O)=O ZINC000535121699 1074756257 /nfs/dbraw/zinc/75/62/57/1074756257.db2.gz PEBOVGUSFCTZAF-OAHLLOKOSA-N 1 1 422.551 0.633 20 0 HCADMO COc1cc(OC)cc(C(=O)NCC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000535122585 1074756777 /nfs/dbraw/zinc/75/67/77/1074756777.db2.gz XIZACPKCSZCGQC-UHFFFAOYSA-N 1 1 406.483 0.056 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@@]2(O)CCOC2)c1 ZINC000535122732 1074756229 /nfs/dbraw/zinc/75/62/29/1074756229.db2.gz XCXLHQORSGHGIC-FQEVSTJZSA-N 1 1 406.483 0.298 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@]2(O)CCOC2)c1 ZINC000535122734 1074756814 /nfs/dbraw/zinc/75/68/14/1074756814.db2.gz XCXLHQORSGHGIC-HXUWFJFHSA-N 1 1 406.483 0.298 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535124305 1074756637 /nfs/dbraw/zinc/75/66/37/1074756637.db2.gz AMKATUFEGYCQEY-AWEZNQCLSA-N 1 1 400.501 0.202 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000535124309 1074756730 /nfs/dbraw/zinc/75/67/30/1074756730.db2.gz AMKATUFEGYCQEY-CQSZACIVSA-N 1 1 400.501 0.202 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)co1 ZINC000535126663 1074756564 /nfs/dbraw/zinc/75/65/64/1074756564.db2.gz ZEPJCQPEKZRRGK-UHFFFAOYSA-N 1 1 420.491 0.757 20 0 HCADMO C[NH+]1CCC([C@@H]2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133581 1074757656 /nfs/dbraw/zinc/75/76/56/1074757656.db2.gz JXSKXSYTCOWQQH-CRAIPNDOSA-N 1 1 420.535 0.630 20 0 HCADMO C[NH+]1CCC([C@H]2CCN([C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133589 1074757563 /nfs/dbraw/zinc/75/75/63/1074757563.db2.gz JXSKXSYTCOWQQH-MAUKXSAKSA-N 1 1 420.535 0.630 20 0 HCADMO C[NH+]1CCC([C@@H]2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535133593 1074757601 /nfs/dbraw/zinc/75/76/01/1074757601.db2.gz JXSKXSYTCOWQQH-QAPCUYQASA-N 1 1 420.535 0.630 20 0 HCADMO C[NH+]1CCC([C@H]2CCN([C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3=O)C2)CC1 ZINC000535134051 1074757680 /nfs/dbraw/zinc/75/76/80/1074757680.db2.gz JXSKXSYTCOWQQH-YJBOKZPZSA-N 1 1 420.535 0.630 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)co1 ZINC000535155798 1074762503 /nfs/dbraw/zinc/76/25/03/1074762503.db2.gz HBLNDXYPUDMHBG-UHFFFAOYSA-N 1 1 420.491 0.757 20 0 HCADMO CN(C(=O)CCC(=O)NC1CCCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000535156144 1074759943 /nfs/dbraw/zinc/75/99/43/1074759943.db2.gz MTXQWTJOFBATIB-UHFFFAOYSA-N 1 1 421.586 0.522 20 0 HCADMO CN(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000535161268 1074760823 /nfs/dbraw/zinc/76/08/23/1074760823.db2.gz ILURZETUWLNHCN-UHFFFAOYSA-N 1 1 421.523 0.867 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)co1 ZINC000535162001 1074760369 /nfs/dbraw/zinc/76/03/69/1074760369.db2.gz MBAZPPKWQFQLJZ-AWEZNQCLSA-N 1 1 412.537 0.968 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)co1 ZINC000535162002 1074760410 /nfs/dbraw/zinc/76/04/10/1074760410.db2.gz MBAZPPKWQFQLJZ-CQSZACIVSA-N 1 1 412.537 0.968 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n(Cc2ccccc2)n1 ZINC000535165516 1074761126 /nfs/dbraw/zinc/76/11/26/1074761126.db2.gz FQGDZIZBMHRSLH-NRFANRHFSA-N 1 1 415.494 0.378 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n(Cc2ccccc2)n1 ZINC000535165534 1074761187 /nfs/dbraw/zinc/76/11/87/1074761187.db2.gz FQGDZIZBMHRSLH-OAQYLSRUSA-N 1 1 415.494 0.378 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n(Cc2ccccc2)n1 ZINC000535167913 1074761474 /nfs/dbraw/zinc/76/14/74/1074761474.db2.gz QKHUBFWXLKASHF-KRWDZBQOSA-N 1 1 412.494 0.634 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)n(Cc2ccccc2)n1 ZINC000535167922 1074761533 /nfs/dbraw/zinc/76/15/33/1074761533.db2.gz QKHUBFWXLKASHF-QGZVFWFLSA-N 1 1 412.494 0.634 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2)C1 ZINC000535169306 1074762070 /nfs/dbraw/zinc/76/20/70/1074762070.db2.gz YBMYHJLIYPDNPW-KRWDZBQOSA-N 1 1 412.494 0.574 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2)C1 ZINC000535169309 1074762268 /nfs/dbraw/zinc/76/22/68/1074762268.db2.gz YBMYHJLIYPDNPW-QGZVFWFLSA-N 1 1 412.494 0.574 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)c2)CC1 ZINC000535173539 1074763573 /nfs/dbraw/zinc/76/35/73/1074763573.db2.gz MOMICVPVWFIRPQ-HOTGVXAUSA-N 1 1 422.551 0.704 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)c2)CC1 ZINC000535173564 1074763419 /nfs/dbraw/zinc/76/34/19/1074763419.db2.gz MOMICVPVWFIRPQ-HZPDHXFCSA-N 1 1 422.551 0.704 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000535173570 1074763991 /nfs/dbraw/zinc/76/39/91/1074763991.db2.gz MOMICVPVWFIRPQ-IYBDPMFKSA-N 1 1 422.551 0.704 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000535173570 1074763985 /nfs/dbraw/zinc/76/39/85/1074763985.db2.gz MOMICVPVWFIRPQ-IYBDPMFKSA-N 1 1 422.551 0.704 20 0 HCADMO COCC(=O)N1CCC(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000535178092 1074764268 /nfs/dbraw/zinc/76/42/68/1074764268.db2.gz GPGMOJVNHBBEHH-DFNIBXOVSA-N 1 1 407.559 0.576 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCC3CCS(=O)(=O)CC3)cc2)CC1 ZINC000535181492 1074762967 /nfs/dbraw/zinc/76/29/67/1074762967.db2.gz LGZDGUAWCHCMIG-UHFFFAOYSA-N 1 1 422.551 0.698 20 0 HCADMO Cc1cccc(Cn2nccc2NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000535183772 1074763184 /nfs/dbraw/zinc/76/31/84/1074763184.db2.gz ZGRIWGCWHUCWCS-UHFFFAOYSA-N 1 1 412.494 0.459 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535183911 1074763232 /nfs/dbraw/zinc/76/32/32/1074763232.db2.gz ALACMMMFGSGXOC-SJPCQFCGSA-N 1 1 401.577 0.268 20 0 HCADMO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535186504 1074763329 /nfs/dbraw/zinc/76/33/29/1074763329.db2.gz KYXDXNMWWSTYNK-JWTNVVGKSA-N 1 1 415.604 0.610 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2Cc2cccc(C)c2)CC1 ZINC000535225732 1074768144 /nfs/dbraw/zinc/76/81/44/1074768144.db2.gz NXVFUAYZUYCMGW-UHFFFAOYSA-N 1 1 412.494 0.505 20 0 HCADMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000535227401 1074768626 /nfs/dbraw/zinc/76/86/26/1074768626.db2.gz XCMFWLMXYZZSAY-UHFFFAOYSA-N 1 1 402.474 0.763 20 0 HCADMO COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535228733 1074766332 /nfs/dbraw/zinc/76/63/32/1074766332.db2.gz CIWLJZVQXYUEHI-XYPWUTKMSA-N 1 1 422.551 0.726 20 0 HCADMO CNS(=O)(=O)c1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000535231893 1074766895 /nfs/dbraw/zinc/76/68/95/1074766895.db2.gz WBZBFKPVMQERQS-JWTNVVGKSA-N 1 1 406.552 0.978 20 0 HCADMO CCc1[nH+]ccn1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000535235301 1074769059 /nfs/dbraw/zinc/76/90/59/1074769059.db2.gz ZDLQHKYXEKYBHV-UHFFFAOYSA-N 1 1 422.507 0.996 20 0 HCADMO CCn1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1=O ZINC000535238344 1074770032 /nfs/dbraw/zinc/77/00/32/1074770032.db2.gz LPZGARAWKPPIMD-JWTNVVGKSA-N 1 1 401.511 0.576 20 0 HCADMO CN(C)c1ncc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000535239255 1074770416 /nfs/dbraw/zinc/77/04/16/1074770416.db2.gz PGPATGSHEGMVRB-SJPCQFCGSA-N 1 1 401.515 0.251 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)n(C)c1 ZINC000535240456 1074770514 /nfs/dbraw/zinc/77/05/14/1074770514.db2.gz VUBFEEQRPCYJTF-SJPCQFCGSA-N 1 1 401.511 0.402 20 0 HCADMO Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535240774 1074770477 /nfs/dbraw/zinc/77/04/77/1074770477.db2.gz YLAAPVITJCFILW-JWTNVVGKSA-N 1 1 413.522 0.802 20 0 HCADMO COc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2C)ccc1S(=O)(=O)N(C)C ZINC000535250917 1074772143 /nfs/dbraw/zinc/77/21/43/1074772143.db2.gz GMLKZBQAAWPVEU-UHFFFAOYSA-N 1 1 423.495 0.595 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)CN1CC[NH+](C)CC1 ZINC000535252173 1074772221 /nfs/dbraw/zinc/77/22/21/1074772221.db2.gz NBHWJRFQXYEOEC-BRWVUGGUSA-N 1 1 407.559 0.733 20 0 HCADMO C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)CN1CC[NH+](C)CC1 ZINC000535252178 1074772368 /nfs/dbraw/zinc/77/23/68/1074772368.db2.gz NBHWJRFQXYEOEC-DLRJPAPCSA-N 1 1 407.559 0.733 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O)CN1CC[NH+](C)CC1 ZINC000535252179 1074772253 /nfs/dbraw/zinc/77/22/53/1074772253.db2.gz NBHWJRFQXYEOEC-KYFSNAEOSA-N 1 1 407.559 0.733 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O)CN1CC[NH+](C)CC1 ZINC000535252181 1074772324 /nfs/dbraw/zinc/77/23/24/1074772324.db2.gz NBHWJRFQXYEOEC-YESZJQIVSA-N 1 1 407.559 0.733 20 0 HCADMO C[NH+]1CCN([C@H](C(=O)NCCN2CCN(c3ncccn3)CC2)c2ccccc2)CC1 ZINC000535260906 1074773931 /nfs/dbraw/zinc/77/39/31/1074773931.db2.gz KZVIUWFNPDBSGA-NRFANRHFSA-N 1 1 423.565 0.704 20 0 HCADMO C[NH+]1CCN([C@@H](C(=O)NCCN2CCN(c3ncccn3)CC2)c2ccccc2)CC1 ZINC000535260916 1074773830 /nfs/dbraw/zinc/77/38/30/1074773830.db2.gz KZVIUWFNPDBSGA-OAQYLSRUSA-N 1 1 423.565 0.704 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000535261999 1074773767 /nfs/dbraw/zinc/77/37/67/1074773767.db2.gz SJUQWLSYTLVNME-UHFFFAOYSA-N 1 1 418.590 0.266 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000535261999 1074773758 /nfs/dbraw/zinc/77/37/58/1074773758.db2.gz SJUQWLSYTLVNME-UHFFFAOYSA-N 1 1 418.590 0.266 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000535262023 1074773963 /nfs/dbraw/zinc/77/39/63/1074773963.db2.gz QFNCZEBJJNFVGH-UHFFFAOYSA-N 1 1 405.547 0.087 20 0 HCADMO O=C(NCCN1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000535262806 1074774344 /nfs/dbraw/zinc/77/43/44/1074774344.db2.gz WWRQTJGWWYBRFE-FQEVSTJZSA-N 1 1 410.522 0.616 20 0 HCADMO O=C(NCCN1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000535262806 1074774336 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C[C@H](c1ccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc1)[NH+]1CCOCC1 ZINC000535315385 1074787295 /nfs/dbraw/zinc/78/72/95/1074787295.db2.gz SXJYGBKWLULSMB-RDTXWAMCSA-N 1 1 401.467 0.602 20 0 HCADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1CCSC1 ZINC000535317109 1074787069 /nfs/dbraw/zinc/78/70/69/1074787069.db2.gz CEBPFLOLACHSPB-AWEZNQCLSA-N 1 1 423.564 0.833 20 0 HCADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCSC1 ZINC000535317138 1074787144 /nfs/dbraw/zinc/78/71/44/1074787144.db2.gz CEBPFLOLACHSPB-CQSZACIVSA-N 1 1 423.564 0.833 20 0 HCADMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000535317350 1074787634 /nfs/dbraw/zinc/78/76/34/1074787634.db2.gz DARPOEPKIROMQE-AWEZNQCLSA-N 1 1 401.485 0.807 20 0 HCADMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1coc(S(N)(=O)=O)c1 ZINC000535317358 1074787642 /nfs/dbraw/zinc/78/76/42/1074787642.db2.gz DARPOEPKIROMQE-CQSZACIVSA-N 1 1 401.485 0.807 20 0 HCADMO NC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000535317569 1074787621 /nfs/dbraw/zinc/78/76/21/1074787621.db2.gz GQFGANPPCQPOST-AWEZNQCLSA-N 1 1 421.461 0.778 20 0 HCADMO NC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000535317581 1074787658 /nfs/dbraw/zinc/78/76/58/1074787658.db2.gz GQFGANPPCQPOST-CQSZACIVSA-N 1 1 421.461 0.778 20 0 HCADMO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000535319359 1074784174 /nfs/dbraw/zinc/78/41/74/1074784174.db2.gz DKEYUTNXNSMAGU-HNNXBMFYSA-N 1 1 402.499 0.909 20 0 HCADMO CCOC(=O)c1cnn2c1nccc2C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000535319360 1074784358 /nfs/dbraw/zinc/78/43/58/1074784358.db2.gz DKEYUTNXNSMAGU-OAHLLOKOSA-N 1 1 402.499 0.909 20 0 HCADMO O=C(CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1)Nc1nnc(-c2ccco2)o1 ZINC000535319471 1074784424 /nfs/dbraw/zinc/78/44/24/1074784424.db2.gz MKSFTHOSZAKUNG-UHFFFAOYSA-N 1 1 402.455 0.898 20 0 HCADMO O=C(CN1CCC[N@H+](CC(=O)N2CCCC2)CC1)Nc1nnc(-c2ccco2)o1 ZINC000535319471 1074784422 /nfs/dbraw/zinc/78/44/22/1074784422.db2.gz MKSFTHOSZAKUNG-UHFFFAOYSA-N 1 1 402.455 0.898 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)c3ccnc4c(C(N)=O)cnn43)cc2)CC1 ZINC000535319596 1074784322 /nfs/dbraw/zinc/78/43/22/1074784322.db2.gz VWYUBUNDHGPAQE-UHFFFAOYSA-N 1 1 423.477 0.707 20 0 HCADMO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000535321091 1074784276 /nfs/dbraw/zinc/78/42/76/1074784276.db2.gz IOEPRLLZVYEARE-INIZCTEOSA-N 1 1 417.535 0.978 20 0 HCADMO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000535321096 1074784227 /nfs/dbraw/zinc/78/42/27/1074784227.db2.gz IOEPRLLZVYEARE-MRXNPFEDSA-N 1 1 417.535 0.978 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000535322387 1074784689 /nfs/dbraw/zinc/78/46/89/1074784689.db2.gz RZKFPCBFMMHXHR-HNNXBMFYSA-N 1 1 407.478 0.769 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000535322390 1074784598 /nfs/dbraw/zinc/78/45/98/1074784598.db2.gz RZKFPCBFMMHXHR-OAHLLOKOSA-N 1 1 407.478 0.769 20 0 HCADMO COCC[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 ZINC000535327290 1074785181 /nfs/dbraw/zinc/78/51/81/1074785181.db2.gz NPMZYEODVSNGND-UHFFFAOYSA-N 1 1 400.501 0.741 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000535329793 1074785941 /nfs/dbraw/zinc/78/59/41/1074785941.db2.gz MAPRCLLCTFWBPG-INIZCTEOSA-N 1 1 403.593 0.373 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000535329799 1074785915 /nfs/dbraw/zinc/78/59/15/1074785915.db2.gz MAPRCLLCTFWBPG-MRXNPFEDSA-N 1 1 403.593 0.373 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000535330323 1074786421 /nfs/dbraw/zinc/78/64/21/1074786421.db2.gz PUNIRYYMGWCCER-UHFFFAOYSA-N 1 1 403.593 0.468 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000535330323 1074786414 /nfs/dbraw/zinc/78/64/14/1074786414.db2.gz PUNIRYYMGWCCER-UHFFFAOYSA-N 1 1 403.593 0.468 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000535330775 1074786252 /nfs/dbraw/zinc/78/62/52/1074786252.db2.gz UUEPESBZEAPAEH-UHFFFAOYSA-N 1 1 410.540 0.551 20 0 HCADMO OCCCN1CCN(c2nc3ccccc3c(N3CC[NH+](CCCO)CC3)n2)CC1 ZINC000535331048 1074786292 /nfs/dbraw/zinc/78/62/92/1074786292.db2.gz BCXVVRHSQATQFY-UHFFFAOYSA-N 1 1 414.554 0.639 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000535332344 1074786775 /nfs/dbraw/zinc/78/67/75/1074786775.db2.gz OILQFIYVQUIJID-HNNXBMFYSA-N 1 1 413.471 0.539 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000535332361 1074786706 /nfs/dbraw/zinc/78/67/06/1074786706.db2.gz OILQFIYVQUIJID-OAHLLOKOSA-N 1 1 413.471 0.539 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[C@H](C)CO ZINC000535342030 1074789249 /nfs/dbraw/zinc/78/92/49/1074789249.db2.gz WVPKWCKPASYHNN-HNNXBMFYSA-N 1 1 420.510 0.546 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC[C@@H](C)CO ZINC000535342033 1074789345 /nfs/dbraw/zinc/78/93/45/1074789345.db2.gz WVPKWCKPASYHNN-OAHLLOKOSA-N 1 1 420.510 0.546 20 0 HCADMO C[C@H](CO)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000535342079 1074789173 /nfs/dbraw/zinc/78/91/73/1074789173.db2.gz VRPOEXUDPJGSLP-INIZCTEOSA-N 1 1 404.511 0.466 20 0 HCADMO C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000535342083 1074789138 /nfs/dbraw/zinc/78/91/38/1074789138.db2.gz VRPOEXUDPJGSLP-MRXNPFEDSA-N 1 1 404.511 0.466 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1 ZINC000535343318 1074789586 /nfs/dbraw/zinc/78/95/86/1074789586.db2.gz CQTLZSOSXXTSGF-AWEZNQCLSA-N 1 1 409.450 0.591 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1 ZINC000535343348 1074789699 /nfs/dbraw/zinc/78/96/99/1074789699.db2.gz CQTLZSOSXXTSGF-CQSZACIVSA-N 1 1 409.450 0.591 20 0 HCADMO C[C@H](CO)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000535345447 1074790275 /nfs/dbraw/zinc/79/02/75/1074790275.db2.gz ORZKOAXGMLVOPG-INIZCTEOSA-N 1 1 404.511 0.928 20 0 HCADMO C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000535345453 1074790336 /nfs/dbraw/zinc/79/03/36/1074790336.db2.gz ORZKOAXGMLVOPG-MRXNPFEDSA-N 1 1 404.511 0.928 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345761 1074790465 /nfs/dbraw/zinc/79/04/65/1074790465.db2.gz PFTNUGAKPFMXDA-MSOLQXFVSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345765 1074790303 /nfs/dbraw/zinc/79/03/03/1074790303.db2.gz PFTNUGAKPFMXDA-QZTJIDSGSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345766 1074790427 /nfs/dbraw/zinc/79/04/27/1074790427.db2.gz PFTNUGAKPFMXDA-ROUUACIJSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000535345767 1074790559 /nfs/dbraw/zinc/79/05/59/1074790559.db2.gz PFTNUGAKPFMXDA-ZWKOTPCHSA-N 1 1 401.511 0.674 20 0 HCADMO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)cc1S(C)(=O)=O ZINC000535350375 1074791149 /nfs/dbraw/zinc/79/11/49/1074791149.db2.gz LWONOTYHTSZSQR-UHFFFAOYSA-N 1 1 410.540 0.479 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C[NH+]1CCOCC1 ZINC000535351850 1074791811 /nfs/dbraw/zinc/79/18/11/1074791811.db2.gz SYEPEWAMIJFMDD-HNNXBMFYSA-N 1 1 423.477 0.839 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C[NH+]1CCOCC1 ZINC000535351860 1074791649 /nfs/dbraw/zinc/79/16/49/1074791649.db2.gz SYEPEWAMIJFMDD-OAHLLOKOSA-N 1 1 423.477 0.839 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356447 1074792494 /nfs/dbraw/zinc/79/24/94/1074792494.db2.gz SZFAURMXIKDLOF-HNNXBMFYSA-N 1 1 404.467 0.455 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000535356454 1074792473 /nfs/dbraw/zinc/79/24/73/1074792473.db2.gz SZFAURMXIKDLOF-OAHLLOKOSA-N 1 1 404.467 0.455 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000535360320 1074792744 /nfs/dbraw/zinc/79/27/44/1074792744.db2.gz DSEGAHRVKFXBNF-UHFFFAOYSA-N 1 1 421.299 0.970 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000535360487 1074793589 /nfs/dbraw/zinc/79/35/89/1074793589.db2.gz QTZHWDSHINAACI-HNNXBMFYSA-N 1 1 415.487 0.833 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000535360487 1074793582 /nfs/dbraw/zinc/79/35/82/1074793582.db2.gz QTZHWDSHINAACI-HNNXBMFYSA-N 1 1 415.487 0.833 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000535360488 1074793422 /nfs/dbraw/zinc/79/34/22/1074793422.db2.gz QTZHWDSHINAACI-OAHLLOKOSA-N 1 1 415.487 0.833 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000535360488 1074793416 /nfs/dbraw/zinc/79/34/16/1074793416.db2.gz QTZHWDSHINAACI-OAHLLOKOSA-N 1 1 415.487 0.833 20 0 HCADMO COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000535361027 1074793029 /nfs/dbraw/zinc/79/30/29/1074793029.db2.gz AQNOFEZOLRCVLI-UHFFFAOYSA-N 1 1 423.470 0.979 20 0 HCADMO COCC(=O)N(C)CC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000535365767 1074794316 /nfs/dbraw/zinc/79/43/16/1074794316.db2.gz LYMHLNGZITVESU-UHFFFAOYSA-N 1 1 410.446 0.530 20 0 HCADMO COCC(=O)N(C)CC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000535373869 1074795168 /nfs/dbraw/zinc/79/51/68/1074795168.db2.gz CCTAGVIBLZBGLM-UHFFFAOYSA-N 1 1 421.523 0.980 20 0 HCADMO COCC1(O)CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000535375670 1074796277 /nfs/dbraw/zinc/79/62/77/1074796277.db2.gz UHTPGJNODKMWQV-UHFFFAOYSA-N 1 1 404.511 0.757 20 0 HCADMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cn1 ZINC000535375994 1074796225 /nfs/dbraw/zinc/79/62/25/1074796225.db2.gz LFHOTPXENJNCSO-UHFFFAOYSA-N 1 1 407.496 0.755 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000535378212 1074796151 /nfs/dbraw/zinc/79/61/51/1074796151.db2.gz XYSXKFZYBYUQCA-UHFFFAOYSA-N 1 1 420.554 0.309 20 0 HCADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000535378212 1074796144 /nfs/dbraw/zinc/79/61/44/1074796144.db2.gz XYSXKFZYBYUQCA-UHFFFAOYSA-N 1 1 420.554 0.309 20 0 HCADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535378880 1074796356 /nfs/dbraw/zinc/79/63/56/1074796356.db2.gz FTSZEVCJSNBYDQ-UHFFFAOYSA-N 1 1 418.542 0.340 20 0 HCADMO CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535379128 1074796324 /nfs/dbraw/zinc/79/63/24/1074796324.db2.gz QYBIYFBZWIDJNJ-UHFFFAOYSA-N 1 1 411.568 0.772 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535379475 1074796683 /nfs/dbraw/zinc/79/66/83/1074796683.db2.gz LEJQOVRGWSYXJD-GOSISDBHSA-N 1 1 418.604 0.087 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535379476 1074796602 /nfs/dbraw/zinc/79/66/02/1074796602.db2.gz LEJQOVRGWSYXJD-SFHVURJKSA-N 1 1 418.604 0.087 20 0 HCADMO CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC(O)(COC)CC2)c(=O)[nH]c1=O ZINC000535379934 1074796732 /nfs/dbraw/zinc/79/67/32/1074796732.db2.gz MRHMSYFDTWZKMX-UHFFFAOYSA-N 1 1 411.503 0.157 20 0 HCADMO Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000535380394 1074797166 /nfs/dbraw/zinc/79/71/66/1074797166.db2.gz LQIVJFSBJGIGGV-UHFFFAOYSA-N 1 1 402.495 0.097 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000535380789 1074797013 /nfs/dbraw/zinc/79/70/13/1074797013.db2.gz GESQFLBRWRIJJJ-NRFANRHFSA-N 1 1 422.545 0.705 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000535380790 1074797038 /nfs/dbraw/zinc/79/70/38/1074797038.db2.gz GESQFLBRWRIJJJ-OAQYLSRUSA-N 1 1 422.545 0.705 20 0 HCADMO NC(=O)c1cn(CC(=O)NCCCCN2CC[NH+](CCO)CC2)c2ccccc12 ZINC000535380848 1074797144 /nfs/dbraw/zinc/79/71/44/1074797144.db2.gz IULRPLQTJJAANV-UHFFFAOYSA-N 1 1 401.511 0.247 20 0 HCADMO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535380891 1074797085 /nfs/dbraw/zinc/79/70/85/1074797085.db2.gz KSVKOBKATWUEGL-INIZCTEOSA-N 1 1 410.946 0.965 20 0 HCADMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535380892 1074796970 /nfs/dbraw/zinc/79/69/70/1074796970.db2.gz KSVKOBKATWUEGL-MRXNPFEDSA-N 1 1 410.946 0.965 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381069 1074797286 /nfs/dbraw/zinc/79/72/86/1074797286.db2.gz SWRVFSDSVUEQOO-KRWDZBQOSA-N 1 1 424.492 0.824 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000535381070 1074797260 /nfs/dbraw/zinc/79/72/60/1074797260.db2.gz SWRVFSDSVUEQOO-QGZVFWFLSA-N 1 1 424.492 0.824 20 0 HCADMO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535381234 1074796990 /nfs/dbraw/zinc/79/69/90/1074796990.db2.gz AVKPGZUYYGMSPR-IBGZPJMESA-N 1 1 422.595 0.788 20 0 HCADMO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000535381235 1074797122 /nfs/dbraw/zinc/79/71/22/1074797122.db2.gz AVKPGZUYYGMSPR-LJQANCHMSA-N 1 1 422.595 0.788 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000535381459 1074797310 /nfs/dbraw/zinc/79/73/10/1074797310.db2.gz KVQPDWZRAVSWQX-UHFFFAOYSA-N 1 1 412.556 0.057 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000535381915 1074797497 /nfs/dbraw/zinc/79/74/97/1074797497.db2.gz GFWUZABPHOBEGE-UHFFFAOYSA-N 1 1 407.906 0.436 20 0 HCADMO Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCCN2CC[NH+](CCO)CC2)[nH]n1 ZINC000535382100 1074797720 /nfs/dbraw/zinc/79/77/20/1074797720.db2.gz OXCUZBHORRXTQE-UHFFFAOYSA-N 1 1 403.531 0.547 20 0 HCADMO O=C(COc1ccc2c(c1)CCC(=O)N2)NCCCCN1CC[NH+](CCO)CC1 ZINC000535382325 1074797692 /nfs/dbraw/zinc/79/76/92/1074797692.db2.gz YUTGRLUNPXFEPM-UHFFFAOYSA-N 1 1 404.511 0.456 20 0 HCADMO COCC(=O)N(C)CC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000535382639 1074797743 /nfs/dbraw/zinc/79/77/43/1074797743.db2.gz NWJCZHHONHUQRP-UHFFFAOYSA-N 1 1 418.538 0.578 20 0 HCADMO COCC1(O)CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000535382987 1074797657 /nfs/dbraw/zinc/79/76/57/1074797657.db2.gz GTFYDWURWJWARB-UHFFFAOYSA-N 1 1 422.501 0.382 20 0 HCADMO C[N@@H+](CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)CC(C)(CO)CO ZINC000535383886 1074797529 /nfs/dbraw/zinc/79/75/29/1074797529.db2.gz UDNAYDQHUXRLSQ-UHFFFAOYSA-N 1 1 405.539 0.649 20 0 HCADMO C[N@H+](CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)CC(C)(CO)CO ZINC000535383886 1074797523 /nfs/dbraw/zinc/79/75/23/1074797523.db2.gz UDNAYDQHUXRLSQ-UHFFFAOYSA-N 1 1 405.539 0.649 20 0 HCADMO C[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(C)(CO)CO ZINC000535385224 1074797983 /nfs/dbraw/zinc/79/79/83/1074797983.db2.gz WZQUDYQRTWUIEE-UHFFFAOYSA-N 1 1 413.540 0.722 20 0 HCADMO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)CC(C)(CO)CO ZINC000535386295 1074798139 /nfs/dbraw/zinc/79/81/39/1074798139.db2.gz JLJWMRVOXFHJOF-GFCCVEGCSA-N 1 1 421.947 0.840 20 0 HCADMO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC(C)(CO)CO ZINC000535386295 1074798135 /nfs/dbraw/zinc/79/81/35/1074798135.db2.gz JLJWMRVOXFHJOF-GFCCVEGCSA-N 1 1 421.947 0.840 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)CC(C)(CO)CO ZINC000535386296 1074798079 /nfs/dbraw/zinc/79/80/79/1074798079.db2.gz JLJWMRVOXFHJOF-LBPRGKRZSA-N 1 1 421.947 0.840 20 0 HCADMO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CC(C)(CO)CO ZINC000535386296 1074798071 /nfs/dbraw/zinc/79/80/71/1074798071.db2.gz JLJWMRVOXFHJOF-LBPRGKRZSA-N 1 1 421.947 0.840 20 0 HCADMO C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(C)(CO)CO ZINC000535387081 1074798049 /nfs/dbraw/zinc/79/80/49/1074798049.db2.gz YTKQJACIWGFBBX-UHFFFAOYSA-N 1 1 402.513 0.009 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H]1c1ccccc1 ZINC000535389596 1074798914 /nfs/dbraw/zinc/79/89/14/1074798914.db2.gz JBUCHICQBDYTJS-DOTOQJQBSA-N 1 1 402.476 0.985 20 0 HCADMO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H]1c1ccccc1 ZINC000535389597 1074798783 /nfs/dbraw/zinc/79/87/83/1074798783.db2.gz JBUCHICQBDYTJS-NVXWUHKLSA-N 1 1 402.476 0.985 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H]1c1ccccc1 ZINC000535389598 1074798981 /nfs/dbraw/zinc/79/89/81/1074798981.db2.gz JBUCHICQBDYTJS-RDJZCZTQSA-N 1 1 402.476 0.985 20 0 HCADMO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H]1c1ccccc1 ZINC000535389599 1074798861 /nfs/dbraw/zinc/79/88/61/1074798861.db2.gz JBUCHICQBDYTJS-WBVHZDCISA-N 1 1 402.476 0.985 20 0 HCADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cnn1CCO[C@H]1CCCCO1 ZINC000535389825 1074798429 /nfs/dbraw/zinc/79/84/29/1074798429.db2.gz WBUUDDXLKCJKRL-MSOLQXFVSA-N 1 1 407.515 0.804 20 0 HCADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cnn1CCO[C@@H]1CCCCO1 ZINC000535389826 1074798339 /nfs/dbraw/zinc/79/83/39/1074798339.db2.gz WBUUDDXLKCJKRL-QZTJIDSGSA-N 1 1 407.515 0.804 20 0 HCADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cnn1CCO[C@H]1CCCCO1 ZINC000535389827 1074798571 /nfs/dbraw/zinc/79/85/71/1074798571.db2.gz WBUUDDXLKCJKRL-ROUUACIJSA-N 1 1 407.515 0.804 20 0 HCADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cnn1CCO[C@@H]1CCCCO1 ZINC000535389828 1074798519 /nfs/dbraw/zinc/79/85/19/1074798519.db2.gz WBUUDDXLKCJKRL-ZWKOTPCHSA-N 1 1 407.515 0.804 20 0 HCADMO CNC(=O)c1cccc(OCC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000535389865 1074798537 /nfs/dbraw/zinc/79/85/37/1074798537.db2.gz ZKEJKOPRWFTPDH-UHFFFAOYSA-N 1 1 416.522 0.828 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000535390177 1074798598 /nfs/dbraw/zinc/79/85/98/1074798598.db2.gz QNVBVBVKYQNAAC-UHFFFAOYSA-N 1 1 421.299 0.924 20 0 HCADMO COCc1nc(C)c(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)s1 ZINC000535390738 1074795450 /nfs/dbraw/zinc/79/54/50/1074795450.db2.gz XVEORVBCSNIPIT-UHFFFAOYSA-N 1 1 423.583 0.908 20 0 HCADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535390892 1074795437 /nfs/dbraw/zinc/79/54/37/1074795437.db2.gz FQXITGBMYDKQBW-UHFFFAOYSA-N 1 1 423.477 0.669 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535392314 1074795904 /nfs/dbraw/zinc/79/59/04/1074795904.db2.gz AKPAPNDQQOCYRW-INIZCTEOSA-N 1 1 423.477 0.669 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535392315 1074795844 /nfs/dbraw/zinc/79/58/44/1074795844.db2.gz AKPAPNDQQOCYRW-MRXNPFEDSA-N 1 1 423.477 0.669 20 0 HCADMO C[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394855 1074801215 /nfs/dbraw/zinc/80/12/15/1074801215.db2.gz SLNUKPMYSLHMLV-MOPGFXCFSA-N 1 1 413.522 0.908 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000535394856 1074801108 /nfs/dbraw/zinc/80/11/08/1074801108.db2.gz SLNUKPMYSLHMLV-OALUTQOASA-N 1 1 413.522 0.908 20 0 HCADMO C[N@H+]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394857 1074801285 /nfs/dbraw/zinc/80/12/85/1074801285.db2.gz SLNUKPMYSLHMLV-RBUKOAKNSA-N 1 1 413.522 0.908 20 0 HCADMO C[N@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000535394858 1074801246 /nfs/dbraw/zinc/80/12/46/1074801246.db2.gz SLNUKPMYSLHMLV-RTBURBONSA-N 1 1 413.522 0.908 20 0 HCADMO CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000535401405 1074799801 /nfs/dbraw/zinc/79/98/01/1074799801.db2.gz DEEYRLCVWJVASE-GOSISDBHSA-N 1 1 400.479 0.901 20 0 HCADMO CC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000535401406 1074799741 /nfs/dbraw/zinc/79/97/41/1074799741.db2.gz DEEYRLCVWJVASE-SFHVURJKSA-N 1 1 400.479 0.901 20 0 HCADMO COCC1(O)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000535403068 1074799981 /nfs/dbraw/zinc/79/99/81/1074799981.db2.gz OPOAXHNLXFUTJL-UHFFFAOYSA-N 1 1 405.495 0.500 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000535410161 1074800800 /nfs/dbraw/zinc/80/08/00/1074800800.db2.gz KHYDEUJIRUGMLR-UHFFFAOYSA-N 1 1 404.467 0.503 20 0 HCADMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 ZINC000535410385 1074802721 /nfs/dbraw/zinc/80/27/21/1074802721.db2.gz WMVUDLZMCOANDU-UHFFFAOYSA-N 1 1 422.493 0.508 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535413044 1074803075 /nfs/dbraw/zinc/80/30/75/1074803075.db2.gz PCBFHAWCAUMVPM-MSOLQXFVSA-N 1 1 401.511 0.810 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535413045 1074803179 /nfs/dbraw/zinc/80/31/79/1074803179.db2.gz PCBFHAWCAUMVPM-QZTJIDSGSA-N 1 1 401.511 0.810 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000535413046 1074803553 /nfs/dbraw/zinc/80/35/53/1074803553.db2.gz PCBFHAWCAUMVPM-ROUUACIJSA-N 1 1 401.511 0.810 20 0 HCADMO CC(C)NC(=O)C(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000535413047 1074803452 /nfs/dbraw/zinc/80/34/52/1074803452.db2.gz PCBFHAWCAUMVPM-ZWKOTPCHSA-N 1 1 401.511 0.810 20 0 HCADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000535413754 1074803546 /nfs/dbraw/zinc/80/35/46/1074803546.db2.gz QJNRRJHYLGRXQB-AWEZNQCLSA-N 1 1 415.560 0.009 20 0 HCADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000535413755 1074803471 /nfs/dbraw/zinc/80/34/71/1074803471.db2.gz QJNRRJHYLGRXQB-CQSZACIVSA-N 1 1 415.560 0.009 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000535415230 1074803848 /nfs/dbraw/zinc/80/38/48/1074803848.db2.gz UHBXVJZEBUNXDB-IBGZPJMESA-N 1 1 415.538 0.841 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000535415231 1074803905 /nfs/dbraw/zinc/80/39/05/1074803905.db2.gz UHBXVJZEBUNXDB-LJQANCHMSA-N 1 1 415.538 0.841 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000535422021 1074801541 /nfs/dbraw/zinc/80/15/41/1074801541.db2.gz DVGFNFODEOMKEI-AWEZNQCLSA-N 1 1 415.494 0.923 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000535422022 1074801497 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CC[C@H](NC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C(=O)N1CCOCC1 ZINC000535520478 1074814236 /nfs/dbraw/zinc/81/42/36/1074814236.db2.gz OZQDJZUNYCUJKR-QYZOEREBSA-N 1 1 404.511 0.558 20 0 HCADMO CCCCS(=O)(=O)NCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000535520935 1074814268 /nfs/dbraw/zinc/81/42/68/1074814268.db2.gz TUDKLCHKDOHDNL-GOSISDBHSA-N 1 1 424.567 0.720 20 0 HCADMO CCCCS(=O)(=O)NCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000535520936 1074814223 /nfs/dbraw/zinc/81/42/23/1074814223.db2.gz TUDKLCHKDOHDNL-SFHVURJKSA-N 1 1 424.567 0.720 20 0 HCADMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000535521547 1074814212 /nfs/dbraw/zinc/81/42/12/1074814212.db2.gz ZMHKZLWFNVYUOP-FGTMMUONSA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535521557 1074814587 /nfs/dbraw/zinc/81/45/87/1074814587.db2.gz ZMHKZLWFNVYUOP-KURKYZTESA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000535521558 1074814770 /nfs/dbraw/zinc/81/47/70/1074814770.db2.gz ZMHKZLWFNVYUOP-KZNAEPCWSA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000535521559 1074814680 /nfs/dbraw/zinc/81/46/80/1074814680.db2.gz ZMHKZLWFNVYUOP-SQNIBIBYSA-N 1 1 410.540 0.345 20 0 HCADMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535521752 1074814730 /nfs/dbraw/zinc/81/47/30/1074814730.db2.gz YSRDSRLBERXXRT-FGTMMUONSA-N 1 1 410.540 0.203 20 0 HCADMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535521753 1074814603 /nfs/dbraw/zinc/81/46/03/1074814603.db2.gz YSRDSRLBERXXRT-KURKYZTESA-N 1 1 410.540 0.203 20 0 HCADMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535521754 1074814616 /nfs/dbraw/zinc/81/46/16/1074814616.db2.gz YSRDSRLBERXXRT-KZNAEPCWSA-N 1 1 410.540 0.203 20 0 HCADMO CS(=O)(=O)N1CC[C@H](CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000535521755 1074814720 /nfs/dbraw/zinc/81/47/20/1074814720.db2.gz YSRDSRLBERXXRT-SQNIBIBYSA-N 1 1 410.540 0.203 20 0 HCADMO NS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000535525453 1074814641 /nfs/dbraw/zinc/81/46/41/1074814641.db2.gz TWYUCDFJTNPWJA-MSOLQXFVSA-N 1 1 418.519 0.769 20 0 HCADMO NS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000535525486 1074814701 /nfs/dbraw/zinc/81/47/01/1074814701.db2.gz TWYUCDFJTNPWJA-QZTJIDSGSA-N 1 1 418.519 0.769 20 0 HCADMO NS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000535525489 1074815072 /nfs/dbraw/zinc/81/50/72/1074815072.db2.gz TWYUCDFJTNPWJA-ROUUACIJSA-N 1 1 418.519 0.769 20 0 HCADMO NS(=O)(=O)c1ccc(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000535525495 1074815121 /nfs/dbraw/zinc/81/51/21/1074815121.db2.gz TWYUCDFJTNPWJA-ZWKOTPCHSA-N 1 1 418.519 0.769 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000535532557 1074816203 /nfs/dbraw/zinc/81/62/03/1074816203.db2.gz ISPUHEFLUCSBEQ-MSOLQXFVSA-N 1 1 411.524 0.341 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000535532562 1074816169 /nfs/dbraw/zinc/81/61/69/1074816169.db2.gz ISPUHEFLUCSBEQ-QZTJIDSGSA-N 1 1 411.524 0.341 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000535532563 1074816070 /nfs/dbraw/zinc/81/60/70/1074816070.db2.gz ISPUHEFLUCSBEQ-ROUUACIJSA-N 1 1 411.524 0.341 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000535532566 1074816233 /nfs/dbraw/zinc/81/62/33/1074816233.db2.gz ISPUHEFLUCSBEQ-ZWKOTPCHSA-N 1 1 411.524 0.341 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533898 1074816039 /nfs/dbraw/zinc/81/60/39/1074816039.db2.gz PETJREGHJDASLD-MSOLQXFVSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533898 1074816033 /nfs/dbraw/zinc/81/60/33/1074816033.db2.gz PETJREGHJDASLD-MSOLQXFVSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533921 1074816149 /nfs/dbraw/zinc/81/61/49/1074816149.db2.gz PETJREGHJDASLD-QZTJIDSGSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533921 1074816147 /nfs/dbraw/zinc/81/61/47/1074816147.db2.gz PETJREGHJDASLD-QZTJIDSGSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533923 1074816117 /nfs/dbraw/zinc/81/61/17/1074816117.db2.gz PETJREGHJDASLD-ROUUACIJSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533923 1074816113 /nfs/dbraw/zinc/81/61/13/1074816113.db2.gz PETJREGHJDASLD-ROUUACIJSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533927 1074816052 /nfs/dbraw/zinc/81/60/52/1074816052.db2.gz PETJREGHJDASLD-ZWKOTPCHSA-N 1 1 414.491 0.576 20 0 HCADMO O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000535533927 1074816047 /nfs/dbraw/zinc/81/60/47/1074816047.db2.gz PETJREGHJDASLD-ZWKOTPCHSA-N 1 1 414.491 0.576 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)cc21 ZINC000535544791 1074818051 /nfs/dbraw/zinc/81/80/51/1074818051.db2.gz XECNYAJZFTVTRX-UHFFFAOYSA-N 1 1 406.446 0.775 20 0 HCADMO NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc21 ZINC000535544791 1074818046 /nfs/dbraw/zinc/81/80/46/1074818046.db2.gz XECNYAJZFTVTRX-UHFFFAOYSA-N 1 1 406.446 0.775 20 0 HCADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000535545611 1074818456 /nfs/dbraw/zinc/81/84/56/1074818456.db2.gz NCBLIAZOCFKYDB-UHFFFAOYSA-N 1 1 403.483 0.455 20 0 HCADMO 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CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000535548131 1074819163 /nfs/dbraw/zinc/81/91/63/1074819163.db2.gz LMYSPIVEMBEDGM-UHFFFAOYSA-N 1 1 407.858 0.411 20 0 HCADMO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000535548430 1074819095 /nfs/dbraw/zinc/81/90/95/1074819095.db2.gz LFNBJZYDKBKRFD-UHFFFAOYSA-N 1 1 424.461 0.857 20 0 HCADMO COCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000535548602 1074819845 /nfs/dbraw/zinc/81/98/45/1074819845.db2.gz NUFBJOYFKWNAMA-CYBMUJFWSA-N 1 1 417.915 0.903 20 0 HCADMO COCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000535548602 1074819838 /nfs/dbraw/zinc/81/98/38/1074819838.db2.gz NUFBJOYFKWNAMA-CYBMUJFWSA-N 1 1 417.915 0.903 20 0 HCADMO COCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000535548607 1074819923 /nfs/dbraw/zinc/81/99/23/1074819923.db2.gz NUFBJOYFKWNAMA-ZDUSSCGKSA-N 1 1 417.915 0.903 20 0 HCADMO COCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 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ZINC000539515274 1075356373 /nfs/dbraw/zinc/35/63/73/1075356373.db2.gz OKDQEAKKLMDVKP-UHFFFAOYSA-N 1 1 420.329 0.891 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)nc1 ZINC000539517214 1075358161 /nfs/dbraw/zinc/35/81/61/1075358161.db2.gz PNRSRIKFSYFVIR-UHFFFAOYSA-N 1 1 410.418 0.456 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000539517988 1075358924 /nfs/dbraw/zinc/35/89/24/1075358924.db2.gz UXDDLSUEPABIHV-UHFFFAOYSA-N 1 1 403.508 0.671 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000539518280 1075358515 /nfs/dbraw/zinc/35/85/15/1075358515.db2.gz FPEMWBUJJAWCNV-UHFFFAOYSA-N 1 1 416.503 0.408 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000539521431 1075361314 /nfs/dbraw/zinc/36/13/14/1075361314.db2.gz LPHLTLVPSFJJDU-DLBZAZTESA-N 1 1 404.492 0.342 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000539521436 1075361346 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/nfs/dbraw/zinc/36/46/98/1075364698.db2.gz YWWLSHJCGSRMEF-WBVHZDCISA-N 1 1 404.492 0.342 20 0 HCADMO Cc1sc2ncc(C(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)c(=O)n2c1C ZINC000539525304 1075364609 /nfs/dbraw/zinc/36/46/09/1075364609.db2.gz GQXPKAXAHKOFDQ-UHFFFAOYSA-N 1 1 417.535 0.999 20 0 HCADMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(S(N)(=O)=O)cn2)c2cccs2)CC1 ZINC000539525747 1075365860 /nfs/dbraw/zinc/36/58/60/1075365860.db2.gz JVXBDLPXTGGYMR-HNNXBMFYSA-N 1 1 409.537 0.509 20 0 HCADMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(S(N)(=O)=O)cn2)c2cccs2)CC1 ZINC000539525755 1075365944 /nfs/dbraw/zinc/36/59/44/1075365944.db2.gz JVXBDLPXTGGYMR-OAHLLOKOSA-N 1 1 409.537 0.509 20 0 HCADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)C[C@H](C)O1 ZINC000539527807 1075367785 /nfs/dbraw/zinc/36/77/85/1075367785.db2.gz VNKLYIRDPUOQHM-KBPBESRZSA-N 1 1 407.496 0.778 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)C[C@H](C)O1 ZINC000539527808 1075367279 /nfs/dbraw/zinc/36/72/79/1075367279.db2.gz VNKLYIRDPUOQHM-OKILXGFUSA-N 1 1 407.496 0.778 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)C[C@H](C)O1 ZINC000539527808 1075367276 /nfs/dbraw/zinc/36/72/76/1075367276.db2.gz VNKLYIRDPUOQHM-OKILXGFUSA-N 1 1 407.496 0.778 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)c2)C[C@@H](C)O1 ZINC000539527809 1075367407 /nfs/dbraw/zinc/36/74/07/1075367407.db2.gz VNKLYIRDPUOQHM-ZIAGYGMSSA-N 1 1 407.496 0.778 20 0 HCADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000539527877 1075367337 /nfs/dbraw/zinc/36/73/37/1075367337.db2.gz ZWNFBWKXJQKXAY-KRWDZBQOSA-N 1 1 405.524 0.901 20 0 HCADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000539527878 1075367288 /nfs/dbraw/zinc/36/72/88/1075367288.db2.gz ZWNFBWKXJQKXAY-QGZVFWFLSA-N 1 1 405.524 0.901 20 0 HCADMO CC1(C)C[N@H+](C2(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)CCCCC2)CCO1 ZINC000539529309 1075368306 /nfs/dbraw/zinc/36/83/06/1075368306.db2.gz LURIBHOUMZMQCD-UHFFFAOYSA-N 1 1 413.544 0.460 20 0 HCADMO CC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000539530011 1075371625 /nfs/dbraw/zinc/37/16/25/1075371625.db2.gz KLBWVJYOYFFBEG-MSOLQXFVSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000539530011 1075371620 /nfs/dbraw/zinc/37/16/20/1075371620.db2.gz KLBWVJYOYFFBEG-MSOLQXFVSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000539530012 1075371565 /nfs/dbraw/zinc/37/15/65/1075371565.db2.gz KLBWVJYOYFFBEG-QZTJIDSGSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000539530012 1075371558 /nfs/dbraw/zinc/37/15/58/1075371558.db2.gz KLBWVJYOYFFBEG-QZTJIDSGSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000539530013 1075371451 /nfs/dbraw/zinc/37/14/51/1075371451.db2.gz KLBWVJYOYFFBEG-ROUUACIJSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000539530013 1075371445 /nfs/dbraw/zinc/37/14/45/1075371445.db2.gz KLBWVJYOYFFBEG-ROUUACIJSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000539530014 1075371423 /nfs/dbraw/zinc/37/14/23/1075371423.db2.gz KLBWVJYOYFFBEG-ZWKOTPCHSA-N 1 1 421.523 0.326 20 0 HCADMO CC[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000539530014 1075371420 /nfs/dbraw/zinc/37/14/20/1075371420.db2.gz KLBWVJYOYFFBEG-ZWKOTPCHSA-N 1 1 421.523 0.326 20 0 HCADMO Cc1oc(S(N)(=O)=O)cc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000539530015 1075371578 /nfs/dbraw/zinc/37/15/78/1075371578.db2.gz KNXBHBPQIMNNNC-UHFFFAOYSA-N 1 1 420.491 0.804 20 0 HCADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000539531224 1075372042 /nfs/dbraw/zinc/37/20/42/1075372042.db2.gz QRZGQVIWHBWBRH-INIZCTEOSA-N 1 1 406.512 0.439 20 0 HCADMO 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CC[N@@H+](CCNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C1CC1 ZINC000540204478 1075581407 /nfs/dbraw/zinc/58/14/07/1075581407.db2.gz GUCSRRYMMKLLHZ-UHFFFAOYSA-N 1 1 409.599 0.993 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000540205361 1075581840 /nfs/dbraw/zinc/58/18/40/1075581840.db2.gz HFQNZSAMYOHJAH-CYBMUJFWSA-N 1 1 421.610 0.993 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000540205363 1075581782 /nfs/dbraw/zinc/58/17/82/1075581782.db2.gz HFQNZSAMYOHJAH-ZDUSSCGKSA-N 1 1 421.610 0.993 20 0 HCADMO C[C@H]1C[NH+](CCOC2CCN(c3ccc(C(=O)NCCO)nn3)CC2)C[C@H](C)O1 ZINC000540207420 1075584900 /nfs/dbraw/zinc/58/49/00/1075584900.db2.gz VLKBAXLLSBJYNZ-HOTGVXAUSA-N 1 1 407.515 0.293 20 0 HCADMO C[C@@H]1C[NH+](CCOC2CCN(c3ccc(C(=O)NCCO)nn3)CC2)C[C@@H](C)O1 ZINC000540207421 1075584856 /nfs/dbraw/zinc/58/48/56/1075584856.db2.gz VLKBAXLLSBJYNZ-HZPDHXFCSA-N 1 1 407.515 0.293 20 0 HCADMO C[C@@H]1C[N@H+](CCOC2CCN(c3ccc(C(=O)NCCO)nn3)CC2)C[C@H](C)O1 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/nfs/dbraw/zinc/58/29/59/1075582959.db2.gz SDWBAAUMSZEHLZ-IUODEOHRSA-N 1 1 421.610 0.991 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000540214041 1075583109 /nfs/dbraw/zinc/58/31/09/1075583109.db2.gz SDWBAAUMSZEHLZ-SWLSCSKDSA-N 1 1 421.610 0.991 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000540214041 1075583105 /nfs/dbraw/zinc/58/31/05/1075583105.db2.gz SDWBAAUMSZEHLZ-SWLSCSKDSA-N 1 1 421.610 0.991 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1 ZINC000540214042 1075583065 /nfs/dbraw/zinc/58/30/65/1075583065.db2.gz SDWBAAUMSZEHLZ-WFASDCNBSA-N 1 1 421.610 0.991 20 0 HCADMO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1 ZINC000540214042 1075583058 /nfs/dbraw/zinc/58/30/58/1075583058.db2.gz SDWBAAUMSZEHLZ-WFASDCNBSA-N 1 1 421.610 0.991 20 0 HCADMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)CCCN3C(=O)CN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540228685 1075586113 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O=C(NCCc1nnc[nH]1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000540310028 1075624388 /nfs/dbraw/zinc/62/43/88/1075624388.db2.gz MHPGBQZZWZJBEN-UHFFFAOYSA-N 1 1 411.466 0.389 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C(=O)N2CC[C@H](O)C2)ccc1F ZINC000540311661 1075626017 /nfs/dbraw/zinc/62/60/17/1075626017.db2.gz ZWOCJKSBVNWXBN-AWEZNQCLSA-N 1 1 408.430 0.018 20 0 HCADMO Cc1nc(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000540312433 1075626848 /nfs/dbraw/zinc/62/68/48/1075626848.db2.gz FDMXPDBFONPGDI-UHFFFAOYSA-N 1 1 413.478 0.976 20 0 HCADMO O=C(CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)NC1CC1 ZINC000540313207 1075626380 /nfs/dbraw/zinc/62/63/80/1075626380.db2.gz MFMTWAWTPUTFRN-UHFFFAOYSA-N 1 1 402.495 0.675 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000540313560 1075627261 /nfs/dbraw/zinc/62/72/61/1075627261.db2.gz ISNJNFQPFKSSOG-WKILWMFISA-N 1 1 418.494 0.441 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCCC(=O)NC3CC3)cc2)CC1 ZINC000540314499 1075618222 /nfs/dbraw/zinc/61/82/22/1075618222.db2.gz XRMIALIPWPCYBV-UHFFFAOYSA-N 1 1 415.494 0.188 20 0 HCADMO C[N@@H+](CCCn1ccnc1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000540319597 1075619813 /nfs/dbraw/zinc/61/98/13/1075619813.db2.gz UJJUUXYXTJJFCT-UHFFFAOYSA-N 1 1 423.514 0.877 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000540320168 1075619399 /nfs/dbraw/zinc/61/93/99/1075619399.db2.gz ZKYRJHATPOYCHJ-IBGZPJMESA-N 1 1 415.538 0.172 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000540320169 1075619828 /nfs/dbraw/zinc/61/98/28/1075619828.db2.gz ZKYRJHATPOYCHJ-LJQANCHMSA-N 1 1 415.538 0.172 20 0 HCADMO Cc1ccc(NC(=O)CN(C)CCN(C)C2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000540324512 1075630589 /nfs/dbraw/zinc/63/05/89/1075630589.db2.gz SEXAYPBYWSMGIK-UHFFFAOYSA-N 1 1 411.572 0.539 20 0 HCADMO Cc1ccc(NC(=O)CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1S(N)(=O)=O ZINC000540324512 1075630581 /nfs/dbraw/zinc/63/05/81/1075630581.db2.gz SEXAYPBYWSMGIK-UHFFFAOYSA-N 1 1 411.572 0.539 20 0 HCADMO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000540325648 1075631012 /nfs/dbraw/zinc/63/10/12/1075631012.db2.gz VZFWOCMDQBZVFT-GHMZBOCLSA-N 1 1 420.466 0.614 20 0 HCADMO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000540325650 1075631062 /nfs/dbraw/zinc/63/10/62/1075631062.db2.gz VZFWOCMDQBZVFT-MNOVXSKESA-N 1 1 420.466 0.614 20 0 HCADMO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000540325653 1075631024 /nfs/dbraw/zinc/63/10/24/1075631024.db2.gz VZFWOCMDQBZVFT-QWRGUYRKSA-N 1 1 420.466 0.614 20 0 HCADMO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000540325658 1075630974 /nfs/dbraw/zinc/63/09/74/1075630974.db2.gz VZFWOCMDQBZVFT-WDEREUQCSA-N 1 1 420.466 0.614 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000540333994 1075628342 /nfs/dbraw/zinc/62/83/42/1075628342.db2.gz UYXIELWYCZGXHP-UHFFFAOYSA-N 1 1 401.511 0.809 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000540333994 1075628336 /nfs/dbraw/zinc/62/83/36/1075628336.db2.gz UYXIELWYCZGXHP-UHFFFAOYSA-N 1 1 401.511 0.809 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000540335027 1075628848 /nfs/dbraw/zinc/62/88/48/1075628848.db2.gz JLDWIBQMGGJVGR-UHFFFAOYSA-N 1 1 406.527 0.868 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000540335027 1075628846 /nfs/dbraw/zinc/62/88/46/1075628846.db2.gz JLDWIBQMGGJVGR-UHFFFAOYSA-N 1 1 406.527 0.868 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000540341257 1075634554 /nfs/dbraw/zinc/63/45/54/1075634554.db2.gz JXBTYSBJXRPWEW-DLBZAZTESA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540341257 1075634548 /nfs/dbraw/zinc/63/45/48/1075634548.db2.gz JXBTYSBJXRPWEW-DLBZAZTESA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000540341261 1075634502 /nfs/dbraw/zinc/63/45/02/1075634502.db2.gz JXBTYSBJXRPWEW-IAGOWNOFSA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540341261 1075634495 /nfs/dbraw/zinc/63/44/95/1075634495.db2.gz JXBTYSBJXRPWEW-IAGOWNOFSA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000540341263 1075634618 /nfs/dbraw/zinc/63/46/18/1075634618.db2.gz JXBTYSBJXRPWEW-IRXDYDNUSA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540341263 1075634613 /nfs/dbraw/zinc/63/46/13/1075634613.db2.gz JXBTYSBJXRPWEW-IRXDYDNUSA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000540341264 1075634608 /nfs/dbraw/zinc/63/46/08/1075634608.db2.gz JXBTYSBJXRPWEW-SJORKVTESA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cn1C ZINC000540341264 1075634605 /nfs/dbraw/zinc/63/46/05/1075634605.db2.gz JXBTYSBJXRPWEW-SJORKVTESA-N 1 1 420.535 0.641 20 0 HCADMO CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1C ZINC000540343394 1075635227 /nfs/dbraw/zinc/63/52/27/1075635227.db2.gz SXBJGNQPUABIRK-SJPCQFCGSA-N 1 1 423.583 0.658 20 0 HCADMO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)O1 ZINC000540347445 1075636479 /nfs/dbraw/zinc/63/64/79/1075636479.db2.gz ZZCJEYKKKYXKOT-PMACEKPBSA-N 1 1 417.554 0.869 20 0 HCADMO CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)O1 ZINC000540347452 1075636457 /nfs/dbraw/zinc/63/64/57/1075636457.db2.gz ZZCJEYKKKYXKOT-UXHICEINSA-N 1 1 417.554 0.869 20 0 HCADMO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)O1 ZINC000540347453 1075636524 /nfs/dbraw/zinc/63/65/24/1075636524.db2.gz ZZCJEYKKKYXKOT-VQTJNVASSA-N 1 1 417.554 0.869 20 0 HCADMO CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)O1 ZINC000540347454 1075636561 /nfs/dbraw/zinc/63/65/61/1075636561.db2.gz ZZCJEYKKKYXKOT-WOJBJXKFSA-N 1 1 417.554 0.869 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000540349848 1075632496 /nfs/dbraw/zinc/63/24/96/1075632496.db2.gz FITQYCBYTFUVDK-INIZCTEOSA-N 1 1 403.531 0.025 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)CC1 ZINC000540349848 1075632492 /nfs/dbraw/zinc/63/24/92/1075632492.db2.gz FITQYCBYTFUVDK-INIZCTEOSA-N 1 1 403.531 0.025 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000540349849 1075632612 /nfs/dbraw/zinc/63/26/12/1075632612.db2.gz FITQYCBYTFUVDK-MRXNPFEDSA-N 1 1 403.531 0.025 20 0 HCADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CC1 ZINC000540349849 1075632609 /nfs/dbraw/zinc/63/26/09/1075632609.db2.gz FITQYCBYTFUVDK-MRXNPFEDSA-N 1 1 403.531 0.025 20 0 HCADMO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000540357970 1075633770 /nfs/dbraw/zinc/63/37/70/1075633770.db2.gz UMDZCGMYRCUYBO-CHWSQXEVSA-N 1 1 400.501 0.986 20 0 HCADMO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000540357971 1075633637 /nfs/dbraw/zinc/63/36/37/1075633637.db2.gz UMDZCGMYRCUYBO-OLZOCXBDSA-N 1 1 400.501 0.986 20 0 HCADMO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000540357972 1075633731 /nfs/dbraw/zinc/63/37/31/1075633731.db2.gz UMDZCGMYRCUYBO-QWHCGFSZSA-N 1 1 400.501 0.986 20 0 HCADMO COc1cc(NS(C)(=O)=O)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000540357973 1075633815 /nfs/dbraw/zinc/63/38/15/1075633815.db2.gz UMDZCGMYRCUYBO-STQMWFEESA-N 1 1 400.501 0.986 20 0 HCADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000540359081 1075642111 /nfs/dbraw/zinc/64/21/11/1075642111.db2.gz FSQAEJGTKIJBKQ-DOTOQJQBSA-N 1 1 404.554 0.745 20 0 HCADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000540359083 1075642092 /nfs/dbraw/zinc/64/20/92/1075642092.db2.gz FSQAEJGTKIJBKQ-NVXWUHKLSA-N 1 1 404.554 0.745 20 0 HCADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000540359085 1075642132 /nfs/dbraw/zinc/64/21/32/1075642132.db2.gz FSQAEJGTKIJBKQ-RDJZCZTQSA-N 1 1 404.554 0.745 20 0 HCADMO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000540359086 1075642100 /nfs/dbraw/zinc/64/21/00/1075642100.db2.gz FSQAEJGTKIJBKQ-WBVHZDCISA-N 1 1 404.554 0.745 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000540360926 1075642886 /nfs/dbraw/zinc/64/28/86/1075642886.db2.gz HXPDWUDPQJMTHJ-GUTXKFCHSA-N 1 1 417.553 0.279 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000540360927 1075642816 /nfs/dbraw/zinc/64/28/16/1075642816.db2.gz HXPDWUDPQJMTHJ-GZBFAFLISA-N 1 1 417.553 0.279 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000540360928 1075642839 /nfs/dbraw/zinc/64/28/39/1075642839.db2.gz HXPDWUDPQJMTHJ-KCQAQPDRSA-N 1 1 417.553 0.279 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000540360929 1075642792 /nfs/dbraw/zinc/64/27/92/1075642792.db2.gz HXPDWUDPQJMTHJ-YDHLFZDLSA-N 1 1 417.553 0.279 20 0 HCADMO CCCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)c(=O)[nH]c1=O ZINC000540362467 1075643238 /nfs/dbraw/zinc/64/32/38/1075643238.db2.gz CNSUSYJHQWOBPL-LLVKDONJSA-N 1 1 423.495 0.383 20 0 HCADMO CCCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c(=O)[nH]c1=O ZINC000540362468 1075643784 /nfs/dbraw/zinc/64/37/84/1075643784.db2.gz CNSUSYJHQWOBPL-NSHDSACASA-N 1 1 423.495 0.383 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)s1 ZINC000540363556 1075643645 /nfs/dbraw/zinc/64/36/45/1075643645.db2.gz ZZLFWJCTOFNEPW-GFCCVEGCSA-N 1 1 418.541 0.435 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)s1 ZINC000540363556 1075643639 /nfs/dbraw/zinc/64/36/39/1075643639.db2.gz ZZLFWJCTOFNEPW-GFCCVEGCSA-N 1 1 418.541 0.435 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)s1 ZINC000540363559 1075643825 /nfs/dbraw/zinc/64/38/25/1075643825.db2.gz ZZLFWJCTOFNEPW-LBPRGKRZSA-N 1 1 418.541 0.435 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)s1 ZINC000540363559 1075643822 /nfs/dbraw/zinc/64/38/22/1075643822.db2.gz ZZLFWJCTOFNEPW-LBPRGKRZSA-N 1 1 418.541 0.435 20 0 HCADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000540372081 1075638698 /nfs/dbraw/zinc/63/86/98/1075638698.db2.gz FYWUHNGKFCNDIK-NRFANRHFSA-N 1 1 421.494 0.780 20 0 HCADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000540372082 1075638608 /nfs/dbraw/zinc/63/86/08/1075638608.db2.gz FYWUHNGKFCNDIK-OAQYLSRUSA-N 1 1 421.494 0.780 20 0 HCADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1cc(-n2cnnn2)ccc1F 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CNC(=O)[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCO1 ZINC000541061098 1075836729 /nfs/dbraw/zinc/83/67/29/1075836729.db2.gz BSWNFQVETYCJKC-FQEVSTJZSA-N 1 1 402.539 0.901 20 0 HCADMO CNC(=O)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCO1 ZINC000541061099 1075836912 /nfs/dbraw/zinc/83/69/12/1075836912.db2.gz BSWNFQVETYCJKC-HXUWFJFHSA-N 1 1 402.539 0.901 20 0 HCADMO CNC(=O)[C@@H]1CN(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061261 1075836958 /nfs/dbraw/zinc/83/69/58/1075836958.db2.gz ZZJCTXRPUGXWRQ-IBGZPJMESA-N 1 1 404.511 0.176 20 0 HCADMO CNC(=O)[C@H]1CN(CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC000541061262 1075836938 /nfs/dbraw/zinc/83/69/38/1075836938.db2.gz ZZJCTXRPUGXWRQ-LJQANCHMSA-N 1 1 404.511 0.176 20 0 HCADMO COc1ccccc1[C@@](N)(C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(F)(F)F ZINC000541082343 1075840480 /nfs/dbraw/zinc/84/04/80/1075840480.db2.gz VZWSEMKFCKIIRI-DLBZAZTESA-N 1 1 405.417 0.611 20 0 HCADMO COc1ccccc1[C@@](N)(C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(F)(F)F ZINC000541082344 1075840503 /nfs/dbraw/zinc/84/05/03/1075840503.db2.gz VZWSEMKFCKIIRI-IAGOWNOFSA-N 1 1 405.417 0.611 20 0 HCADMO COc1ccccc1[C@](N)(C(=O)NC[C@](C)(O)C[NH+]1CCOCC1)C(F)(F)F ZINC000541082345 1075840407 /nfs/dbraw/zinc/84/04/07/1075840407.db2.gz VZWSEMKFCKIIRI-IRXDYDNUSA-N 1 1 405.417 0.611 20 0 HCADMO COc1ccccc1[C@](N)(C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)C(F)(F)F ZINC000541082346 1075840396 /nfs/dbraw/zinc/84/03/96/1075840396.db2.gz VZWSEMKFCKIIRI-SJORKVTESA-N 1 1 405.417 0.611 20 0 HCADMO COc1c(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cccc1C(N)=O ZINC000541105468 1075842474 /nfs/dbraw/zinc/84/24/74/1075842474.db2.gz ZXXSDGQSQXMVGV-UHFFFAOYSA-N 1 1 413.482 0.918 20 0 HCADMO Cc1cc(C2CC[NH+](CC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)CC2)n[nH]1 ZINC000541107297 1075842425 /nfs/dbraw/zinc/84/24/25/1075842425.db2.gz PUUGWLNMUCQRFK-UHFFFAOYSA-N 1 1 423.525 0.923 20 0 HCADMO COC(=O)c1cc(F)cc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000541120542 1075843899 /nfs/dbraw/zinc/84/38/99/1075843899.db2.gz PUDAJCLKPGLHIP-UHFFFAOYSA-N 1 1 417.503 0.281 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139113 1075846426 /nfs/dbraw/zinc/84/64/26/1075846426.db2.gz PQQSVCKWFREFMQ-GOSISDBHSA-N 1 1 401.511 0.958 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000541139115 1075846385 /nfs/dbraw/zinc/84/63/85/1075846385.db2.gz PQQSVCKWFREFMQ-SFHVURJKSA-N 1 1 401.511 0.958 20 0 HCADMO COc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cccc1C(N)=O ZINC000541143566 1075847900 /nfs/dbraw/zinc/84/79/00/1075847900.db2.gz LHJMQWKLEREJFV-INIZCTEOSA-N 1 1 404.467 0.446 20 0 HCADMO COc1c(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cccc1C(N)=O ZINC000541143567 1075847965 /nfs/dbraw/zinc/84/79/65/1075847965.db2.gz LHJMQWKLEREJFV-MRXNPFEDSA-N 1 1 404.467 0.446 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000541144848 1075848119 /nfs/dbraw/zinc/84/81/19/1075848119.db2.gz SCKLPZIMJAKFHK-UHFFFAOYSA-N 1 1 414.510 0.522 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C1CCCC1 ZINC000541146750 1075851536 /nfs/dbraw/zinc/85/15/36/1075851536.db2.gz YBEDDVRJIRIIIU-UHFFFAOYSA-N 1 1 419.530 0.610 20 0 HCADMO COc1cccc(C(=O)NCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000541151439 1075849315 /nfs/dbraw/zinc/84/93/15/1075849315.db2.gz WSHDXLWSTSBOCG-UHFFFAOYSA-N 1 1 402.495 0.438 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)Nc3cncnc3OC)cc2)CC1 ZINC000541151511 1075849280 /nfs/dbraw/zinc/84/92/80/1075849280.db2.gz YMKMJKWLZVJYOZ-UHFFFAOYSA-N 1 1 412.494 0.878 20 0 HCADMO COc1ccc(C(=O)NCC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000541154007 1075849467 /nfs/dbraw/zinc/84/94/67/1075849467.db2.gz SAEFTUGOQLEZDS-UHFFFAOYSA-N 1 1 406.527 0.918 20 0 HCADMO COc1ccc(C(=O)NCC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1OC ZINC000541154007 1075849464 /nfs/dbraw/zinc/84/94/64/1075849464.db2.gz SAEFTUGOQLEZDS-UHFFFAOYSA-N 1 1 406.527 0.918 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 ZINC000541154058 1075849488 /nfs/dbraw/zinc/84/94/88/1075849488.db2.gz SSBNSYAWHPXTAT-UHFFFAOYSA-N 1 1 404.511 0.828 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 ZINC000541154058 1075849481 /nfs/dbraw/zinc/84/94/81/1075849481.db2.gz SSBNSYAWHPXTAT-UHFFFAOYSA-N 1 1 404.511 0.828 20 0 HCADMO CCC(CO)(CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000541180169 1075856220 /nfs/dbraw/zinc/85/62/20/1075856220.db2.gz FXXUSLIDSWDTAS-UHFFFAOYSA-N 1 1 414.528 0.268 20 0 HCADMO CCC(CO)(CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000541180169 1075856218 /nfs/dbraw/zinc/85/62/18/1075856218.db2.gz FXXUSLIDSWDTAS-UHFFFAOYSA-N 1 1 414.528 0.268 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)C[C@H](C)O1 ZINC000541181028 1075856199 /nfs/dbraw/zinc/85/61/99/1075856199.db2.gz XDBJNAZXWKMQBU-BBWFWOEESA-N 1 1 406.531 0.710 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187316 1075857127 /nfs/dbraw/zinc/85/71/27/1075857127.db2.gz MQPIFABOMWHEHO-KRWDZBQOSA-N 1 1 405.547 0.190 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541187317 1075857174 /nfs/dbraw/zinc/85/71/74/1075857174.db2.gz MQPIFABOMWHEHO-QGZVFWFLSA-N 1 1 405.547 0.190 20 0 HCADMO Cc1cc(C)nc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000541187415 1075857191 /nfs/dbraw/zinc/85/71/91/1075857191.db2.gz RBSWFLZLFMXBJL-KRWDZBQOSA-N 1 1 403.531 0.512 20 0 HCADMO Cc1cc(C)nc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000541187416 1075857169 /nfs/dbraw/zinc/85/71/69/1075857169.db2.gz RBSWFLZLFMXBJL-QGZVFWFLSA-N 1 1 403.531 0.512 20 0 HCADMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c(C)c1F ZINC000541190178 1075854936 /nfs/dbraw/zinc/85/49/36/1075854936.db2.gz IYARLYYKOJVEJE-UHFFFAOYSA-N 1 1 403.520 0.811 20 0 HCADMO Cc1cc(C)nc(N2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)n1 ZINC000541192739 1075855548 /nfs/dbraw/zinc/85/55/48/1075855548.db2.gz BASIYSICTLCULL-UHFFFAOYSA-N 1 1 412.498 0.053 20 0 HCADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000541195803 1075859974 /nfs/dbraw/zinc/85/99/74/1075859974.db2.gz PTHBXKPAKKVQBA-AWEZNQCLSA-N 1 1 402.451 0.522 20 0 HCADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000541195815 1075859999 /nfs/dbraw/zinc/85/99/99/1075859999.db2.gz PTHBXKPAKKVQBA-CQSZACIVSA-N 1 1 402.451 0.522 20 0 HCADMO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1=O ZINC000541197442 1075860475 /nfs/dbraw/zinc/86/04/75/1075860475.db2.gz VXKGNLGMCCDNNY-KRWDZBQOSA-N 1 1 410.478 0.611 20 0 HCADMO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1=O ZINC000541197442 1075860472 /nfs/dbraw/zinc/86/04/72/1075860472.db2.gz VXKGNLGMCCDNNY-KRWDZBQOSA-N 1 1 410.478 0.611 20 0 HCADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1=O ZINC000541197443 1075860412 /nfs/dbraw/zinc/86/04/12/1075860412.db2.gz VXKGNLGMCCDNNY-QGZVFWFLSA-N 1 1 410.478 0.611 20 0 HCADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1=O ZINC000541197443 1075860411 /nfs/dbraw/zinc/86/04/11/1075860411.db2.gz VXKGNLGMCCDNNY-QGZVFWFLSA-N 1 1 410.478 0.611 20 0 HCADMO C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000541200151 1075858128 /nfs/dbraw/zinc/85/81/28/1075858128.db2.gz ZVTYSCUHVOKCMV-KBPBESRZSA-N 1 1 424.473 0.701 20 0 HCADMO C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000541200152 1075858116 /nfs/dbraw/zinc/85/81/16/1075858116.db2.gz ZVTYSCUHVOKCMV-KGLIPLIRSA-N 1 1 424.473 0.701 20 0 HCADMO C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000541200153 1075858080 /nfs/dbraw/zinc/85/80/80/1075858080.db2.gz ZVTYSCUHVOKCMV-UONOGXRCSA-N 1 1 424.473 0.701 20 0 HCADMO C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000541200154 1075858058 /nfs/dbraw/zinc/85/80/58/1075858058.db2.gz ZVTYSCUHVOKCMV-ZIAGYGMSSA-N 1 1 424.473 0.701 20 0 HCADMO C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000541202841 1075858611 /nfs/dbraw/zinc/85/86/11/1075858611.db2.gz NRORIVKZEBTQPZ-DZGCQCFKSA-N 1 1 405.476 0.941 20 0 HCADMO C[C@@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000541202842 1075858633 /nfs/dbraw/zinc/85/86/33/1075858633.db2.gz NRORIVKZEBTQPZ-HIFRSBDPSA-N 1 1 405.476 0.941 20 0 HCADMO C[C@@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000541202843 1075858592 /nfs/dbraw/zinc/85/85/92/1075858592.db2.gz NRORIVKZEBTQPZ-UKRRQHHQSA-N 1 1 405.476 0.941 20 0 HCADMO C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(S(N)(=O)=O)c1 ZINC000541202844 1075858583 /nfs/dbraw/zinc/85/85/83/1075858583.db2.gz NRORIVKZEBTQPZ-ZFWWWQNUSA-N 1 1 405.476 0.941 20 0 HCADMO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F ZINC000541203485 1075858833 /nfs/dbraw/zinc/85/88/33/1075858833.db2.gz SCGJHNIACLMWLN-AWEZNQCLSA-N 1 1 418.477 0.361 20 0 HCADMO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1F ZINC000541203486 1075858813 /nfs/dbraw/zinc/85/88/13/1075858813.db2.gz SCGJHNIACLMWLN-CQSZACIVSA-N 1 1 418.477 0.361 20 0 HCADMO Cc1ccc(C[N@H+](CCO)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000541203954 1075858559 /nfs/dbraw/zinc/85/85/59/1075858559.db2.gz MUZSSQSLUNBILE-UHFFFAOYSA-N 1 1 423.521 0.815 20 0 HCADMO Cc1ccc(C[N@@H+](CCO)CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 ZINC000541203954 1075858558 /nfs/dbraw/zinc/85/85/58/1075858558.db2.gz MUZSSQSLUNBILE-UHFFFAOYSA-N 1 1 423.521 0.815 20 0 HCADMO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000541203969 1075858642 /nfs/dbraw/zinc/85/86/42/1075858642.db2.gz NOKYGYGEXCJYAH-IPYPFGDCSA-N 1 1 417.553 0.409 20 0 HCADMO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000541203970 1075858652 /nfs/dbraw/zinc/85/86/52/1075858652.db2.gz NOKYGYGEXCJYAH-KCQAQPDRSA-N 1 1 417.553 0.409 20 0 HCADMO CCN(C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000541203971 1075858567 /nfs/dbraw/zinc/85/85/67/1075858567.db2.gz NOKYGYGEXCJYAH-VNHYZAJKSA-N 1 1 417.553 0.409 20 0 HCADMO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000541203972 1075858549 /nfs/dbraw/zinc/85/85/49/1075858549.db2.gz NOKYGYGEXCJYAH-YDHLFZDLSA-N 1 1 417.553 0.409 20 0 HCADMO CC[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000541204092 1075858603 /nfs/dbraw/zinc/85/86/03/1075858603.db2.gz FEVLJWWFVAQBFE-PBHICJAKSA-N 1 1 410.540 0.892 20 0 HCADMO CC[C@@H]([NH2+]CC(=O)N[C@H](C)C(=O)N1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000541204093 1075858620 /nfs/dbraw/zinc/85/86/20/1075858620.db2.gz FEVLJWWFVAQBFE-RHSMWYFYSA-N 1 1 410.540 0.892 20 0 HCADMO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000541204184 1075859047 /nfs/dbraw/zinc/85/90/47/1075859047.db2.gz FEVLJWWFVAQBFE-WMLDXEAASA-N 1 1 410.540 0.892 20 0 HCADMO 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1080227348 /nfs/dbraw/zinc/22/73/48/1080227348.db2.gz YLUJHPXTKQUKKE-SFHVURJKSA-N 1 1 418.542 0.828 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000542688428 1080227307 /nfs/dbraw/zinc/22/73/07/1080227307.db2.gz GYRRVFPWHHAJIS-KRWDZBQOSA-N 1 1 404.515 0.390 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000542688429 1080227500 /nfs/dbraw/zinc/22/75/00/1080227500.db2.gz GYRRVFPWHHAJIS-QGZVFWFLSA-N 1 1 404.515 0.390 20 0 HCADMO COc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000542690570 1080229621 /nfs/dbraw/zinc/22/96/21/1080229621.db2.gz FRXYGRGGQYEGHX-GOSISDBHSA-N 1 1 405.495 0.449 20 0 HCADMO COc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000542690570 1080229609 /nfs/dbraw/zinc/22/96/09/1080229609.db2.gz FRXYGRGGQYEGHX-GOSISDBHSA-N 1 1 405.495 0.449 20 0 HCADMO COc1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)ccc1OCC(=O)N1CCOCC1 ZINC000542690571 1080229771 /nfs/dbraw/zinc/22/97/71/1080229771.db2.gz 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ZINC000543043540 1080853264 /nfs/dbraw/zinc/85/32/64/1080853264.db2.gz ARELACDHCSPNHI-DLBZAZTESA-N 1 1 405.547 0.094 20 0 HCADMO C[C@H](CNC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)CN1CC[NH+](C)CC1 ZINC000543043541 1080853404 /nfs/dbraw/zinc/85/34/04/1080853404.db2.gz ARELACDHCSPNHI-IAGOWNOFSA-N 1 1 405.547 0.094 20 0 HCADMO C[C@@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)CN1CC[NH+](C)CC1 ZINC000543043542 1080853433 /nfs/dbraw/zinc/85/34/33/1080853433.db2.gz ARELACDHCSPNHI-IRXDYDNUSA-N 1 1 405.547 0.094 20 0 HCADMO C[C@H](CNC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)CN1CC[NH+](C)CC1 ZINC000543043543 1080853308 /nfs/dbraw/zinc/85/33/08/1080853308.db2.gz ARELACDHCSPNHI-SJORKVTESA-N 1 1 405.547 0.094 20 0 HCADMO Cc1cc(C)nc(N2CCN(C(=O)NCCCCN3CC[NH+](CCO)CC3)CC2)n1 ZINC000543045210 1080857303 /nfs/dbraw/zinc/85/73/03/1080857303.db2.gz JPGZIRKMKJUERW-UHFFFAOYSA-N 1 1 419.574 0.315 20 0 HCADMO COc1cc2[nH+]c(N[C@@H]3CCCN(Cc4nccn4C)C3=O)nc(N)c2cc1OC ZINC000543049402 1080858749 /nfs/dbraw/zinc/85/87/49/1080858749.db2.gz IRBSORKCSHNNGR-CYBMUJFWSA-N 1 1 411.466 0.988 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050730 1080859419 /nfs/dbraw/zinc/85/94/19/1080859419.db2.gz VOEOIYOJLJASDM-GOSISDBHSA-N 1 1 419.574 0.579 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050730 1080859413 /nfs/dbraw/zinc/85/94/13/1080859413.db2.gz VOEOIYOJLJASDM-GOSISDBHSA-N 1 1 419.574 0.579 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050738 1080861181 /nfs/dbraw/zinc/86/11/81/1080861181.db2.gz VOEOIYOJLJASDM-SFHVURJKSA-N 1 1 419.574 0.579 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543050738 1080861177 /nfs/dbraw/zinc/86/11/77/1080861177.db2.gz VOEOIYOJLJASDM-SFHVURJKSA-N 1 1 419.574 0.579 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)O)cc2)CC1 ZINC000543054526 1080863321 /nfs/dbraw/zinc/86/33/21/1080863321.db2.gz HGLIRJBTOGNOQF-CVEARBPZSA-N 1 1 404.511 0.607 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)O)cc2)CC1 ZINC000543054527 1080863296 /nfs/dbraw/zinc/86/32/96/1080863296.db2.gz HGLIRJBTOGNOQF-HOTGVXAUSA-N 1 1 404.511 0.607 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)O)cc2)CC1 ZINC000543054528 1080863315 /nfs/dbraw/zinc/86/33/15/1080863315.db2.gz HGLIRJBTOGNOQF-HZPDHXFCSA-N 1 1 404.511 0.607 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)cc2)CC1 ZINC000543054529 1080863266 /nfs/dbraw/zinc/86/32/66/1080863266.db2.gz HGLIRJBTOGNOQF-JKSUJKDBSA-N 1 1 404.511 0.607 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)O ZINC000543056283 1080869728 /nfs/dbraw/zinc/86/97/28/1080869728.db2.gz MQSIDFQYMMVZMJ-KBPBESRZSA-N 1 1 406.483 0.297 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)O ZINC000543056284 1080869721 /nfs/dbraw/zinc/86/97/21/1080869721.db2.gz MQSIDFQYMMVZMJ-KGLIPLIRSA-N 1 1 406.483 0.297 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000543056285 1080869679 /nfs/dbraw/zinc/86/96/79/1080869679.db2.gz MQSIDFQYMMVZMJ-UONOGXRCSA-N 1 1 406.483 0.297 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)O ZINC000543056286 1080869660 /nfs/dbraw/zinc/86/96/60/1080869660.db2.gz MQSIDFQYMMVZMJ-ZIAGYGMSSA-N 1 1 406.483 0.297 20 0 HCADMO CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000543056606 1080869236 /nfs/dbraw/zinc/86/92/36/1080869236.db2.gz HIOZDPOXXLQVTB-UHFFFAOYSA-N 1 1 419.461 0.837 20 0 HCADMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000543061528 1080871188 /nfs/dbraw/zinc/87/11/88/1080871188.db2.gz ZDQSQBWMMJGGAA-HNNXBMFYSA-N 1 1 416.478 0.830 20 0 HCADMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000543061529 1080871144 /nfs/dbraw/zinc/87/11/44/1080871144.db2.gz ZDQSQBWMMJGGAA-OAHLLOKOSA-N 1 1 416.478 0.830 20 0 HCADMO C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000543064804 1080872412 /nfs/dbraw/zinc/87/24/12/1080872412.db2.gz ZFTQENMVPMBLRL-LLVKDONJSA-N 1 1 419.442 0.738 20 0 HCADMO C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F)c1cccc(S(N)(=O)=O)c1 ZINC000543064806 1080872383 /nfs/dbraw/zinc/87/23/83/1080872383.db2.gz ZFTQENMVPMBLRL-NSHDSACASA-N 1 1 419.442 0.738 20 0 HCADMO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000543071058 1080873550 /nfs/dbraw/zinc/87/35/50/1080873550.db2.gz RVULUMQCXMHJOV-CYBMUJFWSA-N 1 1 402.542 0.720 20 0 HCADMO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000543071059 1080873507 /nfs/dbraw/zinc/87/35/07/1080873507.db2.gz RVULUMQCXMHJOV-ZDUSSCGKSA-N 1 1 402.542 0.720 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000543090583 1080894368 /nfs/dbraw/zinc/89/43/68/1080894368.db2.gz WQWSJXJRXZSLAJ-AWEZNQCLSA-N 1 1 406.508 0.969 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2nccc3c2cccc3S(N)(=O)=O)C1 ZINC000543090584 1080894355 /nfs/dbraw/zinc/89/43/55/1080894355.db2.gz WQWSJXJRXZSLAJ-CQSZACIVSA-N 1 1 406.508 0.969 20 0 HCADMO CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000543091397 1080894984 /nfs/dbraw/zinc/89/49/84/1080894984.db2.gz LCQHCAMJGBBXIJ-IBGZPJMESA-N 1 1 409.575 0.234 20 0 HCADMO COC(=O)CC[N@H+]1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@H](C)C1 ZINC000543100929 1080910231 /nfs/dbraw/zinc/91/02/31/1080910231.db2.gz VXKAHUAOKNHPAK-CYBMUJFWSA-N 1 1 420.491 0.592 20 0 HCADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@H](C)C1 ZINC000543100929 1080910216 /nfs/dbraw/zinc/91/02/16/1080910216.db2.gz VXKAHUAOKNHPAK-CYBMUJFWSA-N 1 1 420.491 0.592 20 0 HCADMO COC(=O)CC[N@H+]1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@@H](C)C1 ZINC000543100930 1080910298 /nfs/dbraw/zinc/91/02/98/1080910298.db2.gz VXKAHUAOKNHPAK-ZDUSSCGKSA-N 1 1 420.491 0.592 20 0 HCADMO COC(=O)CC[N@@H+]1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)[C@@H](C)C1 ZINC000543100930 1080910293 /nfs/dbraw/zinc/91/02/93/1080910293.db2.gz VXKAHUAOKNHPAK-ZDUSSCGKSA-N 1 1 420.491 0.592 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000543103802 1080915033 /nfs/dbraw/zinc/91/50/33/1080915033.db2.gz UDXTVAWBCAPNIH-UHFFFAOYSA-N 1 1 406.508 0.801 20 0 HCADMO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000543107835 1080919802 /nfs/dbraw/zinc/91/98/02/1080919802.db2.gz CXVLPVVFKNRUQI-AVRDEDQJSA-N 1 1 411.506 0.664 20 0 HCADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000543107838 1080919933 /nfs/dbraw/zinc/91/99/33/1080919933.db2.gz CXVLPVVFKNRUQI-GCJKJVERSA-N 1 1 411.506 0.664 20 0 HCADMO Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000543107841 1080919589 /nfs/dbraw/zinc/91/95/89/1080919589.db2.gz CXVLPVVFKNRUQI-PGRDOPGGSA-N 1 1 411.506 0.664 20 0 HCADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000543107844 1080919340 /nfs/dbraw/zinc/91/93/40/1080919340.db2.gz CXVLPVVFKNRUQI-XMSQKQJNSA-N 1 1 411.506 0.664 20 0 HCADMO CC(C)[N@H+]1CCc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C1 ZINC000543130132 1080962369 /nfs/dbraw/zinc/96/23/69/1080962369.db2.gz LBRNSQZYZCSMMK-UHFFFAOYSA-N 1 1 417.495 0.295 20 0 HCADMO CC(C)[N@@H+]1CCc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2C1 ZINC000543130132 1080962354 /nfs/dbraw/zinc/96/23/54/1080962354.db2.gz LBRNSQZYZCSMMK-UHFFFAOYSA-N 1 1 417.495 0.295 20 0 HCADMO CN1CCN(S(=O)(=O)N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000543138434 1080977894 /nfs/dbraw/zinc/97/78/94/1080977894.db2.gz AQIGIXRNJZQTPM-UHFFFAOYSA-N 1 1 404.577 0.608 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@H]3CCCCS3(=O)=O)cc2)CC1 ZINC000543140837 1080980839 /nfs/dbraw/zinc/98/08/39/1080980839.db2.gz VSTQCYFMWLOJAJ-GOSISDBHSA-N 1 1 422.551 0.841 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC[C@@H]3CCCCS3(=O)=O)cc2)CC1 ZINC000543140838 1080980561 /nfs/dbraw/zinc/98/05/61/1080980561.db2.gz VSTQCYFMWLOJAJ-SFHVURJKSA-N 1 1 422.551 0.841 20 0 HCADMO 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CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(=O)[nH]c1=O ZINC000543171841 1081017166 /nfs/dbraw/zinc/01/71/66/1081017166.db2.gz ITIJGJRKYSJPGN-RRFJBIMHSA-N 1 1 423.514 0.013 20 0 HCADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(=O)[nH]c1=O ZINC000543171844 1081017328 /nfs/dbraw/zinc/01/73/28/1081017328.db2.gz ITIJGJRKYSJPGN-SOUVJXGZSA-N 1 1 423.514 0.013 20 0 HCADMO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(=O)[nH]c1=O ZINC000543171848 1081017104 /nfs/dbraw/zinc/01/71/04/1081017104.db2.gz ITIJGJRKYSJPGN-ZNMIVQPWSA-N 1 1 423.514 0.013 20 0 HCADMO CC(=O)NC1CCC([N@H+](C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000543174183 1081019685 /nfs/dbraw/zinc/01/96/85/1081019685.db2.gz SUSRFDHUZKVEEW-UHFFFAOYSA-N 1 1 407.515 0.347 20 0 HCADMO O=C(CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1)Nc1ccc(F)cc1 ZINC000543177230 1081020684 /nfs/dbraw/zinc/02/06/84/1081020684.db2.gz SJRSCMRNOHDKPP-IPELMVKDSA-N 1 1 404.486 0.611 20 0 HCADMO 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1 416.522 0.604 20 0 HCADMO CCOCc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000556054528 1078396881 /nfs/dbraw/zinc/39/68/81/1078396881.db2.gz INSYCOKZTHZHOJ-LJQANCHMSA-N 1 1 416.522 0.604 20 0 HCADMO CCOCc1ccccc1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000556054812 1078396920 /nfs/dbraw/zinc/39/69/20/1078396920.db2.gz IECKCFPIBUSPPO-UHFFFAOYSA-N 1 1 404.511 0.508 20 0 HCADMO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000556055116 1078397489 /nfs/dbraw/zinc/39/74/89/1078397489.db2.gz LMYDNOKLNIWZIH-UHFFFAOYSA-N 1 1 404.559 0.640 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)cc2)CC1 ZINC000556055411 1078397596 /nfs/dbraw/zinc/39/75/96/1078397596.db2.gz VXTFFNXEZFMSKI-GDLZYMKVSA-N 1 1 420.579 0.468 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)cc2)CC1 ZINC000556055413 1078397496 /nfs/dbraw/zinc/39/74/96/1078397496.db2.gz VXTFFNXEZFMSKI-LJAQVGFWSA-N 1 1 420.579 0.468 20 0 HCADMO COCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000556055557 1078397202 /nfs/dbraw/zinc/39/72/02/1078397202.db2.gz ZARGJBAAWRIEOM-GOSISDBHSA-N 1 1 402.495 0.214 20 0 HCADMO COCc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000556055558 1078397536 /nfs/dbraw/zinc/39/75/36/1078397536.db2.gz ZARGJBAAWRIEOM-SFHVURJKSA-N 1 1 402.495 0.214 20 0 HCADMO CCOCc1ccc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000556056537 1078398082 /nfs/dbraw/zinc/39/80/82/1078398082.db2.gz SFUUSIMTUZQQNL-UHFFFAOYSA-N 1 1 404.511 0.462 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000556060552 1078403041 /nfs/dbraw/zinc/40/30/41/1078403041.db2.gz IFWDPBZWUJXCBN-GOSISDBHSA-N 1 1 402.495 0.262 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000556060553 1078402984 /nfs/dbraw/zinc/40/29/84/1078402984.db2.gz IFWDPBZWUJXCBN-SFHVURJKSA-N 1 1 402.495 0.262 20 0 HCADMO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556061886 1078403344 /nfs/dbraw/zinc/40/33/44/1078403344.db2.gz DAAQPDJWYYQEBK-PBHICJAKSA-N 1 1 421.567 0.278 20 0 HCADMO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556061887 1078403434 /nfs/dbraw/zinc/40/34/34/1078403434.db2.gz DAAQPDJWYYQEBK-RHSMWYFYSA-N 1 1 421.567 0.278 20 0 HCADMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556061888 1078403400 /nfs/dbraw/zinc/40/34/00/1078403400.db2.gz DAAQPDJWYYQEBK-WMLDXEAASA-N 1 1 421.567 0.278 20 0 HCADMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000556061889 1078403469 /nfs/dbraw/zinc/40/34/69/1078403469.db2.gz DAAQPDJWYYQEBK-YOEHRIQHSA-N 1 1 421.567 0.278 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000556062081 1078404217 /nfs/dbraw/zinc/40/42/17/1078404217.db2.gz LLALLQAKVYLVRM-INIZCTEOSA-N 1 1 418.542 0.289 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000556062082 1078404637 /nfs/dbraw/zinc/40/46/37/1078404637.db2.gz LLALLQAKVYLVRM-MRXNPFEDSA-N 1 1 418.542 0.289 20 0 HCADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2=O)cn1 ZINC000556062187 1078404363 /nfs/dbraw/zinc/40/43/63/1078404363.db2.gz PAYJTAQAGVAPLS-HNNXBMFYSA-N 1 1 404.496 0.076 20 0 HCADMO Cn1cc(N2CCN(C(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2=O)cn1 ZINC000556062188 1078404172 /nfs/dbraw/zinc/40/41/72/1078404172.db2.gz PAYJTAQAGVAPLS-OAHLLOKOSA-N 1 1 404.496 0.076 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000556062520 1078404294 /nfs/dbraw/zinc/40/42/94/1078404294.db2.gz BKRJDBNFYNXCJS-INIZCTEOSA-N 1 1 424.548 0.692 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000556062522 1078404234 /nfs/dbraw/zinc/40/42/34/1078404234.db2.gz BKRJDBNFYNXCJS-MRXNPFEDSA-N 1 1 424.548 0.692 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000556062663 1078404207 /nfs/dbraw/zinc/40/42/07/1078404207.db2.gz XBQORAQZRONWEH-UHFFFAOYSA-N 1 1 411.506 0.920 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000556064508 1078405029 /nfs/dbraw/zinc/40/50/29/1078405029.db2.gz DSOUDQBGSCJUHE-KRWDZBQOSA-N 1 1 418.513 0.887 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1 ZINC000556064509 1078405095 /nfs/dbraw/zinc/40/50/95/1078405095.db2.gz DSOUDQBGSCJUHE-QGZVFWFLSA-N 1 1 418.513 0.887 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C2=O)n1 ZINC000556064575 1078405039 /nfs/dbraw/zinc/40/50/39/1078405039.db2.gz HMIQSRWLBUGERB-CABCVRRESA-N 1 1 418.523 0.512 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C2=O)n1 ZINC000556064576 1078405066 /nfs/dbraw/zinc/40/50/66/1078405066.db2.gz HMIQSRWLBUGERB-GJZGRUSLSA-N 1 1 418.523 0.512 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C2=O)n1 ZINC000556064577 1078405168 /nfs/dbraw/zinc/40/51/68/1078405168.db2.gz HMIQSRWLBUGERB-HUUCEWRRSA-N 1 1 418.523 0.512 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C2=O)n1 ZINC000556064578 1078405021 /nfs/dbraw/zinc/40/50/21/1078405021.db2.gz HMIQSRWLBUGERB-LSDHHAIUSA-N 1 1 418.523 0.512 20 0 HCADMO COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cc(C)c4[nH+]ccn4c3)C2)nn1 ZINC000556065449 1078399715 /nfs/dbraw/zinc/39/97/15/1078399715.db2.gz FPLCAESKKUDHSZ-AWEZNQCLSA-N 1 1 411.422 0.823 20 0 HCADMO COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cc(C)c4[nH+]ccn4c3)C2)nn1 ZINC000556065450 1078399870 /nfs/dbraw/zinc/39/98/70/1078399870.db2.gz FPLCAESKKUDHSZ-CQSZACIVSA-N 1 1 411.422 0.823 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCO[C@@H](C)C3)CC2)cc1 ZINC000556065622 1078405863 /nfs/dbraw/zinc/40/58/63/1078405863.db2.gz TWIZOCAVMCGNMZ-INIZCTEOSA-N 1 1 411.524 0.639 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCO[C@H](C)C3)CC2)cc1 ZINC000556065623 1078405842 /nfs/dbraw/zinc/40/58/42/1078405842.db2.gz TWIZOCAVMCGNMZ-MRXNPFEDSA-N 1 1 411.524 0.639 20 0 HCADMO CCc1nsc(N2CCCN(C(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000556066114 1078400770 /nfs/dbraw/zinc/40/07/70/1078400770.db2.gz WHTOVSVTLLTXBF-HNNXBMFYSA-N 1 1 408.572 0.987 20 0 HCADMO CCc1nsc(N2CCCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000556066115 1078400695 /nfs/dbraw/zinc/40/06/95/1078400695.db2.gz WHTOVSVTLLTXBF-OAHLLOKOSA-N 1 1 408.572 0.987 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000556066387 1078400759 /nfs/dbraw/zinc/40/07/59/1078400759.db2.gz IAZIMOSXWCJRIG-CYBMUJFWSA-N 1 1 407.496 0.565 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000556066389 1078400788 /nfs/dbraw/zinc/40/07/88/1078400788.db2.gz IAZIMOSXWCJRIG-ZDUSSCGKSA-N 1 1 407.496 0.565 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000556066980 1078400469 /nfs/dbraw/zinc/40/04/69/1078400469.db2.gz VCZAMZSTVCSOHV-DLBZAZTESA-N 1 1 423.583 0.526 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000556066981 1078400349 /nfs/dbraw/zinc/40/03/49/1078400349.db2.gz VCZAMZSTVCSOHV-IAGOWNOFSA-N 1 1 423.583 0.526 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000556066982 1078400420 /nfs/dbraw/zinc/40/04/20/1078400420.db2.gz VCZAMZSTVCSOHV-IRXDYDNUSA-N 1 1 423.583 0.526 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000556066983 1078400512 /nfs/dbraw/zinc/40/05/12/1078400512.db2.gz VCZAMZSTVCSOHV-SJORKVTESA-N 1 1 423.583 0.526 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000556067869 1078401155 /nfs/dbraw/zinc/40/11/55/1078401155.db2.gz KGZLPGGQJXXTAA-FQEVSTJZSA-N 1 1 423.517 0.881 20 0 HCADMO CC[C@H](CNC(=O)C(=O)NCCNC(=O)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000556067870 1078401162 /nfs/dbraw/zinc/40/11/62/1078401162.db2.gz KGZLPGGQJXXTAA-HXUWFJFHSA-N 1 1 423.517 0.881 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N(C)c1ccccc1 ZINC000556068338 1078402215 /nfs/dbraw/zinc/40/22/15/1078402215.db2.gz BOYFBRIRZIMGCF-HKUYNNGSSA-N 1 1 415.538 0.393 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N(C)c1ccccc1 ZINC000556068339 1078402053 /nfs/dbraw/zinc/40/20/53/1078402053.db2.gz BOYFBRIRZIMGCF-IEBWSBKVSA-N 1 1 415.538 0.393 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)N(C)c1ccccc1 ZINC000556068340 1078402125 /nfs/dbraw/zinc/40/21/25/1078402125.db2.gz BOYFBRIRZIMGCF-MJGOQNOKSA-N 1 1 415.538 0.393 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)N(C)c1ccccc1 ZINC000556068341 1078402240 /nfs/dbraw/zinc/40/22/40/1078402240.db2.gz BOYFBRIRZIMGCF-PKOBYXMFSA-N 1 1 415.538 0.393 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000556068501 1078402157 /nfs/dbraw/zinc/40/21/57/1078402157.db2.gz DFKAJROYXMXJFJ-GOSISDBHSA-N 1 1 421.586 0.428 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC000556068502 1078402254 /nfs/dbraw/zinc/40/22/54/1078402254.db2.gz DFKAJROYXMXJFJ-SFHVURJKSA-N 1 1 421.586 0.428 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556068821 1078401832 /nfs/dbraw/zinc/40/18/32/1078401832.db2.gz ZFBLGXOMKFEVIZ-FXAWDEMLSA-N 1 1 402.539 0.776 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556068823 1078401635 /nfs/dbraw/zinc/40/16/35/1078401635.db2.gz ZFBLGXOMKFEVIZ-PXNSSMCTSA-N 1 1 402.539 0.776 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556068825 1078401809 /nfs/dbraw/zinc/40/18/09/1078401809.db2.gz ZFBLGXOMKFEVIZ-XLIONFOSSA-N 1 1 402.539 0.776 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000556068827 1078401687 /nfs/dbraw/zinc/40/16/87/1078401687.db2.gz ZFBLGXOMKFEVIZ-YLJYHZDGSA-N 1 1 402.539 0.776 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000556068830 1078401612 /nfs/dbraw/zinc/40/16/12/1078401612.db2.gz ZKHZZBYWNDFWDJ-UHFFFAOYSA-N 1 1 404.446 0.385 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000556068941 1078401756 /nfs/dbraw/zinc/40/17/56/1078401756.db2.gz KFCXOYZQCLFIFN-APWZRJJASA-N 1 1 415.538 0.846 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000556068942 1078401872 /nfs/dbraw/zinc/40/18/72/1078401872.db2.gz KFCXOYZQCLFIFN-LPHOPBHVSA-N 1 1 415.538 0.846 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000556068943 1078401734 /nfs/dbraw/zinc/40/17/34/1078401734.db2.gz KFCXOYZQCLFIFN-QFBILLFUSA-N 1 1 415.538 0.846 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CCC[C@H](CNC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000556068944 1078401713 /nfs/dbraw/zinc/40/17/13/1078401713.db2.gz KFCXOYZQCLFIFN-VQIMIIECSA-N 1 1 415.538 0.846 20 0 HCADMO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn1 ZINC000556069510 1078402657 /nfs/dbraw/zinc/40/26/57/1078402657.db2.gz BKDTWYXMVOYCGA-INMHGKMJSA-N 1 1 418.523 0.337 20 0 HCADMO Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn1 ZINC000556069511 1078402712 /nfs/dbraw/zinc/40/27/12/1078402712.db2.gz BKDTWYXMVOYCGA-VYDXJSESSA-N 1 1 418.523 0.337 20 0 HCADMO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069719 1078402666 /nfs/dbraw/zinc/40/26/66/1078402666.db2.gz FAMUQQTYVVMGHH-PMACEKPBSA-N 1 1 419.545 0.783 20 0 HCADMO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069724 1078402698 /nfs/dbraw/zinc/40/26/98/1078402698.db2.gz FAMUQQTYVVMGHH-UXHICEINSA-N 1 1 419.545 0.783 20 0 HCADMO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069726 1078402637 /nfs/dbraw/zinc/40/26/37/1078402637.db2.gz FAMUQQTYVVMGHH-VQTJNVASSA-N 1 1 419.545 0.783 20 0 HCADMO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](c3ccc(F)cc3)N(C)C)C2)CC1 ZINC000556069728 1078402614 /nfs/dbraw/zinc/40/26/14/1078402614.db2.gz FAMUQQTYVVMGHH-WOJBJXKFSA-N 1 1 419.545 0.783 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000556070098 1078406387 /nfs/dbraw/zinc/40/63/87/1078406387.db2.gz HOQIDYFHXDYZQI-KRWDZBQOSA-N 1 1 418.542 0.243 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000556070099 1078406231 /nfs/dbraw/zinc/40/62/31/1078406231.db2.gz HOQIDYFHXDYZQI-QGZVFWFLSA-N 1 1 418.542 0.243 20 0 HCADMO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC000556070204 1078406216 /nfs/dbraw/zinc/40/62/16/1078406216.db2.gz ZAKDVLMOVFMXQQ-INIZCTEOSA-N 1 1 402.524 0.914 20 0 HCADMO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC000556070209 1078406260 /nfs/dbraw/zinc/40/62/60/1078406260.db2.gz ZAKDVLMOVFMXQQ-MRXNPFEDSA-N 1 1 402.524 0.914 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000556070620 1078405836 /nfs/dbraw/zinc/40/58/36/1078405836.db2.gz 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COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000556071709 1078406547 /nfs/dbraw/zinc/40/65/47/1078406547.db2.gz UWYPFXJKNXIXPL-OIISXLGYSA-N 1 1 413.540 0.339 20 0 HCADMO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000556071710 1078406574 /nfs/dbraw/zinc/40/65/74/1078406574.db2.gz UWYPFXJKNXIXPL-UAGQMJEPSA-N 1 1 413.540 0.339 20 0 HCADMO COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000556071711 1078407014 /nfs/dbraw/zinc/40/70/14/1078407014.db2.gz UWYPFXJKNXIXPL-USXIJHARSA-N 1 1 413.540 0.339 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556071851 1078406649 /nfs/dbraw/zinc/40/66/49/1078406649.db2.gz DWELSBGEJIWSAF-GOSISDBHSA-N 1 1 422.551 0.043 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556071852 1078406608 /nfs/dbraw/zinc/40/66/08/1078406608.db2.gz DWELSBGEJIWSAF-SFHVURJKSA-N 1 1 422.551 0.043 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[N@H+]1CCc2ccccc2C1 ZINC000556073651 1078408790 /nfs/dbraw/zinc/40/87/90/1078408790.db2.gz XPEDPFOZMAAOSW-AVRDEDQJSA-N 1 1 400.523 0.924 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1)[N@H+]1CCc2ccccc2C1 ZINC000556073652 1078408858 /nfs/dbraw/zinc/40/88/58/1078408858.db2.gz XPEDPFOZMAAOSW-GCJKJVERSA-N 1 1 400.523 0.924 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1)[N@H+]1CCc2ccccc2C1 ZINC000556073654 1078408946 /nfs/dbraw/zinc/40/89/46/1078408946.db2.gz XPEDPFOZMAAOSW-PGRDOPGGSA-N 1 1 400.523 0.924 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1)[N@H+]1CCc2ccccc2C1 ZINC000556073655 1078408811 /nfs/dbraw/zinc/40/88/11/1078408811.db2.gz XPEDPFOZMAAOSW-XMSQKQJNSA-N 1 1 400.523 0.924 20 0 HCADMO CC(C)(O)CCNC(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000556074341 1078410257 /nfs/dbraw/zinc/41/02/57/1078410257.db2.gz DJNDALIZTPVWBC-UHFFFAOYSA-N 1 1 420.510 0.241 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)CC1 ZINC000556074364 1078410614 /nfs/dbraw/zinc/41/06/14/1078410614.db2.gz FDUGTITUKWIBTL-IBGZPJMESA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000556074365 1078410536 /nfs/dbraw/zinc/41/05/36/1078410536.db2.gz FDUGTITUKWIBTL-LJQANCHMSA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000556074841 1078409996 /nfs/dbraw/zinc/40/99/96/1078409996.db2.gz LXTASHXRYKSYFI-JOCHJYFZSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000556074842 1078410028 /nfs/dbraw/zinc/41/00/28/1078410028.db2.gz LXTASHXRYKSYFI-QFIPXVFZSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CC2(CO)CC2)CC1 ZINC000556074850 1078410205 /nfs/dbraw/zinc/41/02/05/1078410205.db2.gz MDGCXQGMUGAHKL-UHFFFAOYSA-N 1 1 402.539 0.671 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N(CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000556075656 1078411291 /nfs/dbraw/zinc/41/12/91/1078411291.db2.gz DJRJNTOTCGYRNG-IBGZPJMESA-N 1 1 416.522 0.165 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N(CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000556075657 1078411359 /nfs/dbraw/zinc/41/13/59/1078411359.db2.gz DJRJNTOTCGYRNG-LJQANCHMSA-N 1 1 416.522 0.165 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)NCCC3CC[NH+](C)CC3)cn2)CC1 ZINC000556075814 1078410995 /nfs/dbraw/zinc/41/09/95/1078410995.db2.gz KNYQSVZIJKRLPH-UHFFFAOYSA-N 1 1 416.570 0.688 20 0 HCADMO CCCC(=O)Nc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000556075920 1078410947 /nfs/dbraw/zinc/41/09/47/1078410947.db2.gz HTYZVPMQCOGSOJ-UHFFFAOYSA-N 1 1 417.510 0.322 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000556076300 1078411967 /nfs/dbraw/zinc/41/19/67/1078411967.db2.gz KAJYNWSWPKPFOE-IBGZPJMESA-N 1 1 420.579 0.708 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000556076301 1078411930 /nfs/dbraw/zinc/41/19/30/1078411930.db2.gz KAJYNWSWPKPFOE-LJQANCHMSA-N 1 1 420.579 0.708 20 0 HCADMO CSCc1cc(F)ccc1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556076438 1078411927 /nfs/dbraw/zinc/41/19/27/1078411927.db2.gz MIMWFLAWKWORKF-UHFFFAOYSA-N 1 1 410.515 0.585 20 0 HCADMO CN(Cc1nc2c(s1)CCCC2)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556076521 1078411553 /nfs/dbraw/zinc/41/15/53/1078411553.db2.gz OVKZDUDTXFWYEN-UHFFFAOYSA-N 1 1 407.540 0.261 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1COCCO1)[NH+]1CCCCC1 ZINC000556076673 1078411506 /nfs/dbraw/zinc/41/15/06/1078411506.db2.gz SXKHTALNNBJMPM-AEFFLSMTSA-N 1 1 405.495 0.870 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@H]1COCCO1)[NH+]1CCCCC1 ZINC000556076674 1078411568 /nfs/dbraw/zinc/41/15/68/1078411568.db2.gz SXKHTALNNBJMPM-FUHWJXTLSA-N 1 1 405.495 0.870 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCO1)[NH+]1CCCCC1 ZINC000556076675 1078411645 /nfs/dbraw/zinc/41/16/45/1078411645.db2.gz SXKHTALNNBJMPM-SJLPKXTDSA-N 1 1 405.495 0.870 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1COCCO1)[NH+]1CCCCC1 ZINC000556076676 1078411678 /nfs/dbraw/zinc/41/16/78/1078411678.db2.gz SXKHTALNNBJMPM-WMZOPIPTSA-N 1 1 405.495 0.870 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)NCCCNC(C)=O)[NH+]1CCCCC1 ZINC000556077116 1078413372 /nfs/dbraw/zinc/41/33/72/1078413372.db2.gz YPEIVLNSLDERTO-GOSISDBHSA-N 1 1 404.511 0.981 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)NCCCNC(C)=O)[NH+]1CCCCC1 ZINC000556077117 1078413341 /nfs/dbraw/zinc/41/33/41/1078413341.db2.gz YPEIVLNSLDERTO-SFHVURJKSA-N 1 1 404.511 0.981 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000556077524 1078412702 /nfs/dbraw/zinc/41/27/02/1078412702.db2.gz WMEMNVCAGJIZCP-CYBMUJFWSA-N 1 1 412.437 0.746 20 0 HCADMO C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000556077530 1078412754 /nfs/dbraw/zinc/41/27/54/1078412754.db2.gz WMEMNVCAGJIZCP-ZDUSSCGKSA-N 1 1 412.437 0.746 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000556077778 1078412666 /nfs/dbraw/zinc/41/26/66/1078412666.db2.gz KPQKQBWHMWPNDH-UHFFFAOYSA-N 1 1 424.885 0.008 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000556077881 1078412358 /nfs/dbraw/zinc/41/23/58/1078412358.db2.gz MZSOOTCNPVKQLR-INIZCTEOSA-N 1 1 420.485 0.824 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000556077882 1078412382 /nfs/dbraw/zinc/41/23/82/1078412382.db2.gz MZSOOTCNPVKQLR-MRXNPFEDSA-N 1 1 420.485 0.824 20 0 HCADMO CCOc1ccc2c(c1)CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C2 ZINC000556077883 1078412780 /nfs/dbraw/zinc/41/27/80/1078412780.db2.gz NAJFGQVJPSERHG-UHFFFAOYSA-N 1 1 402.495 0.250 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556078374 1078413523 /nfs/dbraw/zinc/41/35/23/1078413523.db2.gz SXSMPXWKQZHELY-HDICACEKSA-N 1 1 409.575 0.141 20 0 HCADMO CN(Cc1ccccc1C(F)(F)F)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556078617 1078413627 /nfs/dbraw/zinc/41/36/27/1078413627.db2.gz XYWKDDCYXKDFMZ-UHFFFAOYSA-N 1 1 414.428 0.944 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000556078737 1078413540 /nfs/dbraw/zinc/41/35/40/1078413540.db2.gz ZXJHOVIPYCEUDL-UHFFFAOYSA-N 1 1 409.490 0.645 20 0 HCADMO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556079518 1078413847 /nfs/dbraw/zinc/41/38/47/1078413847.db2.gz QZVJNLWXBSXJPM-HNNXBMFYSA-N 1 1 424.492 0.882 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556079519 1078413931 /nfs/dbraw/zinc/41/39/31/1078413931.db2.gz QZVJNLWXBSXJPM-OAHLLOKOSA-N 1 1 424.492 0.882 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556079576 1078414329 /nfs/dbraw/zinc/41/43/29/1078414329.db2.gz SGFZUKXSSGWNCL-KRWDZBQOSA-N 1 1 416.522 0.473 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556079697 1078414283 /nfs/dbraw/zinc/41/42/83/1078414283.db2.gz YBIJYDWRYCHCRR-KURKYZTESA-N 1 1 410.559 0.171 20 0 HCADMO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556079699 1078414217 /nfs/dbraw/zinc/41/42/17/1078414217.db2.gz YBIJYDWRYCHCRR-OKZBNKHCSA-N 1 1 410.559 0.171 20 0 HCADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000556082979 1078421486 /nfs/dbraw/zinc/42/14/86/1078421486.db2.gz GIVVLWVHGDKNQZ-MOPGFXCFSA-N 1 1 416.570 0.556 20 0 HCADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000556082982 1078421572 /nfs/dbraw/zinc/42/15/72/1078421572.db2.gz GIVVLWVHGDKNQZ-OALUTQOASA-N 1 1 416.570 0.556 20 0 HCADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000556082984 1078421537 /nfs/dbraw/zinc/42/15/37/1078421537.db2.gz GIVVLWVHGDKNQZ-RBUKOAKNSA-N 1 1 416.570 0.556 20 0 HCADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000556082986 1078421621 /nfs/dbraw/zinc/42/16/21/1078421621.db2.gz GIVVLWVHGDKNQZ-RTBURBONSA-N 1 1 416.570 0.556 20 0 HCADMO 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IKWGYXHWQQBQHM-UHFFFAOYSA-N 1 1 412.490 0.898 20 0 HCADMO COCCOc1ncccc1CNC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556084788 1078423726 /nfs/dbraw/zinc/42/37/26/1078423726.db2.gz IKWGYXHWQQBQHM-UHFFFAOYSA-N 1 1 412.490 0.898 20 0 HCADMO Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3C)CC2)c(C)o1 ZINC000556084847 1078423658 /nfs/dbraw/zinc/42/36/58/1078423658.db2.gz ZOXZOEKMSILWCP-UHFFFAOYSA-N 1 1 401.467 0.892 20 0 HCADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCc2cccnc2N(C)C)C[C@@H](C)O1 ZINC000556085283 1078415200 /nfs/dbraw/zinc/41/52/00/1078415200.db2.gz NZSCOVCZWQMFFX-JFIYKMOQSA-N 1 1 403.527 0.864 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCc2cccnc2N(C)C)C[C@H](C)O1 ZINC000556085285 1078415139 /nfs/dbraw/zinc/41/51/39/1078415139.db2.gz NZSCOVCZWQMFFX-JZXOWHBKSA-N 1 1 403.527 0.864 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCc2cccnc2N(C)C)C[C@H](C)O1 ZINC000556085285 1078415135 /nfs/dbraw/zinc/41/51/35/1078415135.db2.gz NZSCOVCZWQMFFX-JZXOWHBKSA-N 1 1 403.527 0.864 20 0 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C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H](C)O1 ZINC000556085463 1078415070 /nfs/dbraw/zinc/41/50/70/1078415070.db2.gz QOCHDJJUBLOYSQ-JZXOWHBKSA-N 1 1 417.510 0.028 20 0 HCADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@@H](C)O1 ZINC000556085464 1078415094 /nfs/dbraw/zinc/41/50/94/1078415094.db2.gz QOCHDJJUBLOYSQ-NUJGCVRESA-N 1 1 417.510 0.028 20 0 HCADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H](C)O1 ZINC000556085465 1078415153 /nfs/dbraw/zinc/41/51/53/1078415153.db2.gz QOCHDJJUBLOYSQ-SOLBZPMBSA-N 1 1 417.510 0.028 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCNC(=O)c2cccnc2)C[C@H](C)O1 ZINC000556085465 1078415150 /nfs/dbraw/zinc/41/51/50/1078415150.db2.gz QOCHDJJUBLOYSQ-SOLBZPMBSA-N 1 1 417.510 0.028 20 0 HCADMO COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)[C@H](C)C1 ZINC000556085716 1078414854 /nfs/dbraw/zinc/41/48/54/1078414854.db2.gz SYLNAHLGWOPMNR-GDBMZVCRSA-N 1 1 410.540 0.563 20 0 HCADMO 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O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000556089782 1078418621 /nfs/dbraw/zinc/41/86/21/1078418621.db2.gz LRQICJMTBQZHJC-UHFFFAOYSA-N 1 1 413.547 0.962 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C(C)(C)C3)CC2)cc1C ZINC000556092122 1078425289 /nfs/dbraw/zinc/42/52/89/1078425289.db2.gz PNHUIISEKDDLSJ-GOSISDBHSA-N 1 1 409.552 0.839 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C(C)(C)C3)CC2)cc1C ZINC000556092123 1078425349 /nfs/dbraw/zinc/42/53/49/1078425349.db2.gz PNHUIISEKDDLSJ-SFHVURJKSA-N 1 1 409.552 0.839 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000556094734 1078426313 /nfs/dbraw/zinc/42/63/13/1078426313.db2.gz BTTOFMGGVGRMJG-GOSISDBHSA-N 1 1 415.538 0.300 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000556094735 1078426276 /nfs/dbraw/zinc/42/62/76/1078426276.db2.gz BTTOFMGGVGRMJG-SFHVURJKSA-N 1 1 415.538 0.300 20 0 HCADMO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556094793 1078426284 /nfs/dbraw/zinc/42/62/84/1078426284.db2.gz CBSROIWHCSMOCB-HKUYNNGSSA-N 1 1 400.523 0.746 20 0 HCADMO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556094796 1078426301 /nfs/dbraw/zinc/42/63/01/1078426301.db2.gz CBSROIWHCSMOCB-IEBWSBKVSA-N 1 1 400.523 0.746 20 0 HCADMO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556094800 1078426305 /nfs/dbraw/zinc/42/63/05/1078426305.db2.gz CBSROIWHCSMOCB-MJGOQNOKSA-N 1 1 400.523 0.746 20 0 HCADMO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556094802 1078426270 /nfs/dbraw/zinc/42/62/70/1078426270.db2.gz CBSROIWHCSMOCB-PKOBYXMFSA-N 1 1 400.523 0.746 20 0 HCADMO CC(C)OCc1ccccc1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556094896 1078426291 /nfs/dbraw/zinc/42/62/91/1078426291.db2.gz CWECBHPYDMLTNK-UHFFFAOYSA-N 1 1 404.511 0.508 20 0 HCADMO CCN(CCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1C ZINC000556095491 1078427885 /nfs/dbraw/zinc/42/78/85/1078427885.db2.gz JTNQQTRFWKEOOD-UHFFFAOYSA-N 1 1 403.527 0.218 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCSC[C@H]2c2ccccc2)CC1 ZINC000556095659 1078427542 /nfs/dbraw/zinc/42/75/42/1078427542.db2.gz LMICTHCNMNFFBX-KRWDZBQOSA-N 1 1 404.536 0.583 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCSC[C@@H]2c2ccccc2)CC1 ZINC000556095660 1078427855 /nfs/dbraw/zinc/42/78/55/1078427855.db2.gz LMICTHCNMNFFBX-QGZVFWFLSA-N 1 1 404.536 0.583 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000556095815 1078427612 /nfs/dbraw/zinc/42/76/12/1078427612.db2.gz LYFCCJMOPYFPGC-IBGZPJMESA-N 1 1 411.506 0.647 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000556095816 1078427645 /nfs/dbraw/zinc/42/76/45/1078427645.db2.gz LYFCCJMOPYFPGC-LJQANCHMSA-N 1 1 411.506 0.647 20 0 HCADMO CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H](COC)Cc1ccccc1 ZINC000556095828 1078427579 /nfs/dbraw/zinc/42/75/79/1078427579.db2.gz MLNILMZUTGDNPQ-IBGZPJMESA-N 1 1 418.538 0.373 20 0 HCADMO CCN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H](COC)Cc1ccccc1 ZINC000556095829 1078427633 /nfs/dbraw/zinc/42/76/33/1078427633.db2.gz MLNILMZUTGDNPQ-LJQANCHMSA-N 1 1 418.538 0.373 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000556095942 1078427229 /nfs/dbraw/zinc/42/72/29/1078427229.db2.gz NDCIPGOSQJQWBQ-UHFFFAOYSA-N 1 1 416.522 0.131 20 0 HCADMO C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000556096143 1078428583 /nfs/dbraw/zinc/42/85/83/1078428583.db2.gz QOOBTMPIJLDLKY-KRWDZBQOSA-N 1 1 415.538 0.744 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000556096144 1078428565 /nfs/dbraw/zinc/42/85/65/1078428565.db2.gz QOOBTMPIJLDLKY-QGZVFWFLSA-N 1 1 415.538 0.744 20 0 HCADMO CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556096287 1078429525 /nfs/dbraw/zinc/42/95/25/1078429525.db2.gz QZOQATNWYZSSRG-INIZCTEOSA-N 1 1 404.515 0.237 20 0 HCADMO CCn1ccnc1[C@H]1CCCCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556096292 1078429573 /nfs/dbraw/zinc/42/95/73/1078429573.db2.gz QZOQATNWYZSSRG-MRXNPFEDSA-N 1 1 404.515 0.237 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 ZINC000556096316 1078429623 /nfs/dbraw/zinc/42/96/23/1078429623.db2.gz SIBSGQXNYMKDJP-UHFFFAOYSA-N 1 1 406.914 0.768 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2SCCc3ccccc32)CC1 ZINC000556096614 1078429271 /nfs/dbraw/zinc/42/92/71/1078429271.db2.gz XJCOKFIKHUNVLQ-KRWDZBQOSA-N 1 1 404.536 0.414 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2SCCc3ccccc32)CC1 ZINC000556096615 1078429327 /nfs/dbraw/zinc/42/93/27/1078429327.db2.gz XJCOKFIKHUNVLQ-QGZVFWFLSA-N 1 1 404.536 0.414 20 0 HCADMO CN(C)c1cccc([C@@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000556096655 1078429284 /nfs/dbraw/zinc/42/92/84/1078429284.db2.gz YYSYDRJULISMRK-IBGZPJMESA-N 1 1 415.538 0.696 20 0 HCADMO CN(C)c1cccc([C@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000556096656 1078429247 /nfs/dbraw/zinc/42/92/47/1078429247.db2.gz YYSYDRJULISMRK-LJQANCHMSA-N 1 1 415.538 0.696 20 0 HCADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCc2cccnc2N(C)C)CC1 ZINC000556097689 1078431037 /nfs/dbraw/zinc/43/10/37/1078431037.db2.gz BHWADFXLQICEKV-HDICACEKSA-N 1 1 416.570 0.781 20 0 HCADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097707 1078430985 /nfs/dbraw/zinc/43/09/85/1078430985.db2.gz BVYKJNHAXWBXLL-MOPGFXCFSA-N 1 1 421.586 0.380 20 0 HCADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097708 1078431387 /nfs/dbraw/zinc/43/13/87/1078431387.db2.gz BVYKJNHAXWBXLL-OALUTQOASA-N 1 1 421.586 0.380 20 0 HCADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097709 1078431355 /nfs/dbraw/zinc/43/13/55/1078431355.db2.gz BVYKJNHAXWBXLL-RBUKOAKNSA-N 1 1 421.586 0.380 20 0 HCADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1 ZINC000556097710 1078431361 /nfs/dbraw/zinc/43/13/61/1078431361.db2.gz BVYKJNHAXWBXLL-RTBURBONSA-N 1 1 421.586 0.380 20 0 HCADMO CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000556097851 1078431112 /nfs/dbraw/zinc/43/11/12/1078431112.db2.gz DUJADLHEOUYRCY-IBGZPJMESA-N 1 1 415.538 0.394 20 0 HCADMO CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000556097852 1078431093 /nfs/dbraw/zinc/43/10/93/1078431093.db2.gz DUJADLHEOUYRCY-LJQANCHMSA-N 1 1 415.538 0.394 20 0 HCADMO COc1ccc([C@@H](C)CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000556098078 1078431771 /nfs/dbraw/zinc/43/17/71/1078431771.db2.gz JILQNULMZJYFMD-INIZCTEOSA-N 1 1 404.511 0.585 20 0 HCADMO COc1ccc([C@H](C)CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000556098079 1078432452 /nfs/dbraw/zinc/43/24/52/1078432452.db2.gz JILQNULMZJYFMD-MRXNPFEDSA-N 1 1 404.511 0.585 20 0 HCADMO CO[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556098261 1078432144 /nfs/dbraw/zinc/43/21/44/1078432144.db2.gz MBKGEHOSXZGNCK-INIZCTEOSA-N 1 1 410.902 0.424 20 0 HCADMO CO[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556098262 1078432157 /nfs/dbraw/zinc/43/21/57/1078432157.db2.gz MBKGEHOSXZGNCK-MRXNPFEDSA-N 1 1 410.902 0.424 20 0 HCADMO CN(Cc1ccccc1N1CCCC1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556098530 1078431859 /nfs/dbraw/zinc/43/18/59/1078431859.db2.gz VBEWVQNINYXKLL-UHFFFAOYSA-N 1 1 415.538 0.526 20 0 HCADMO CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000556098818 1078431791 /nfs/dbraw/zinc/43/17/91/1078431791.db2.gz YPHMYDSZKZWBTJ-AWEZNQCLSA-N 1 1 409.556 0.814 20 0 HCADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000556098819 1078431841 /nfs/dbraw/zinc/43/18/41/1078431841.db2.gz YPHMYDSZKZWBTJ-CQSZACIVSA-N 1 1 409.556 0.814 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000556098966 1078431816 /nfs/dbraw/zinc/43/18/16/1078431816.db2.gz IHSNIMSIIRIQNU-UHFFFAOYSA-N 1 1 404.486 0.545 20 0 HCADMO COc1c(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)oc2ccccc21 ZINC000556099256 1078433294 /nfs/dbraw/zinc/43/32/94/1078433294.db2.gz OINWFTJRYAODES-UHFFFAOYSA-N 1 1 402.451 0.338 20 0 HCADMO COc1ccccc1C1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556099833 1078432520 /nfs/dbraw/zinc/43/25/20/1078432520.db2.gz AGATWMLGMLSAQW-UHFFFAOYSA-N 1 1 402.495 0.123 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000556100025 1078432497 /nfs/dbraw/zinc/43/24/97/1078432497.db2.gz GFOAHSDPKCDBPR-UHFFFAOYSA-N 1 1 424.542 0.283 20 0 HCADMO Cc1ccc([C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000556100114 1078433260 /nfs/dbraw/zinc/43/32/60/1078433260.db2.gz BPABZIKPESHJAX-NRFANRHFSA-N 1 1 423.517 0.876 20 0 HCADMO Cc1ccc([C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000556100115 1078433319 /nfs/dbraw/zinc/43/33/19/1078433319.db2.gz BPABZIKPESHJAX-OAQYLSRUSA-N 1 1 423.517 0.876 20 0 HCADMO COc1ccc([C@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000556100178 1078434083 /nfs/dbraw/zinc/43/40/83/1078434083.db2.gz CSVBCQGWJZLQGR-KRWDZBQOSA-N 1 1 402.495 0.291 20 0 HCADMO COc1ccc([C@@H]2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000556100179 1078434009 /nfs/dbraw/zinc/43/40/09/1078434009.db2.gz CSVBCQGWJZLQGR-QGZVFWFLSA-N 1 1 402.495 0.291 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100301 1078434080 /nfs/dbraw/zinc/43/40/80/1078434080.db2.gz CWYYTAUUMIUTQL-HOJAQTOUSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100301 1078434078 /nfs/dbraw/zinc/43/40/78/1078434078.db2.gz CWYYTAUUMIUTQL-HOJAQTOUSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100306 1078434066 /nfs/dbraw/zinc/43/40/66/1078434066.db2.gz CWYYTAUUMIUTQL-MISYRCLQSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100306 1078434065 /nfs/dbraw/zinc/43/40/65/1078434065.db2.gz CWYYTAUUMIUTQL-MISYRCLQSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100308 1078434059 /nfs/dbraw/zinc/43/40/59/1078434059.db2.gz CWYYTAUUMIUTQL-RLLQIKCJSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100308 1078434057 /nfs/dbraw/zinc/43/40/57/1078434057.db2.gz CWYYTAUUMIUTQL-RLLQIKCJSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@H+]1C ZINC000556100310 1078433957 /nfs/dbraw/zinc/43/39/57/1078433957.db2.gz CWYYTAUUMIUTQL-YZGWKJHDSA-N 1 1 401.555 0.690 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000556100310 1078433951 /nfs/dbraw/zinc/43/39/51/1078433951.db2.gz CWYYTAUUMIUTQL-YZGWKJHDSA-N 1 1 401.555 0.690 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000556100373 1078433977 /nfs/dbraw/zinc/43/39/77/1078433977.db2.gz ISHIHIJFZOHOEG-KRWDZBQOSA-N 1 1 406.458 0.006 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000556100377 1078433994 /nfs/dbraw/zinc/43/39/94/1078433994.db2.gz ISHIHIJFZOHOEG-QGZVFWFLSA-N 1 1 406.458 0.006 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000556100700 1078434045 /nfs/dbraw/zinc/43/40/45/1078434045.db2.gz LZPBEVOSZSRTSU-MOPGFXCFSA-N 1 1 400.523 0.794 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000556100709 1078433270 /nfs/dbraw/zinc/43/32/70/1078433270.db2.gz LZPBEVOSZSRTSU-OALUTQOASA-N 1 1 400.523 0.794 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000556100712 1078433245 /nfs/dbraw/zinc/43/32/45/1078433245.db2.gz LZPBEVOSZSRTSU-RBUKOAKNSA-N 1 1 400.523 0.794 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000556100713 1078433479 /nfs/dbraw/zinc/43/34/79/1078433479.db2.gz LZPBEVOSZSRTSU-RTBURBONSA-N 1 1 400.523 0.794 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000556100739 1078433522 /nfs/dbraw/zinc/43/35/22/1078433522.db2.gz MPZYHYTUYFUHLG-UHFFFAOYSA-N 1 1 401.511 0.052 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100799 1078433469 /nfs/dbraw/zinc/43/34/69/1078433469.db2.gz IXKSVHVFTJJKTJ-CTNGQTDRSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100799 1078433468 /nfs/dbraw/zinc/43/34/68/1078433468.db2.gz IXKSVHVFTJJKTJ-CTNGQTDRSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100800 1078433616 /nfs/dbraw/zinc/43/36/16/1078433616.db2.gz IXKSVHVFTJJKTJ-FPOVZHCZSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100800 1078433608 /nfs/dbraw/zinc/43/36/08/1078433608.db2.gz IXKSVHVFTJJKTJ-FPOVZHCZSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100801 1078433489 /nfs/dbraw/zinc/43/34/89/1078433489.db2.gz IXKSVHVFTJJKTJ-PZJWPPBQSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100801 1078433486 /nfs/dbraw/zinc/43/34/86/1078433486.db2.gz IXKSVHVFTJJKTJ-PZJWPPBQSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100802 1078433463 /nfs/dbraw/zinc/43/34/63/1078433463.db2.gz IXKSVHVFTJJKTJ-TZIWHRDSSA-N 1 1 415.582 0.892 20 0 HCADMO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000556100802 1078433462 /nfs/dbraw/zinc/43/34/62/1078433462.db2.gz IXKSVHVFTJJKTJ-TZIWHRDSSA-N 1 1 415.582 0.892 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000556100843 1078433509 /nfs/dbraw/zinc/43/35/09/1078433509.db2.gz NXWDFXCFHKNIKB-UHFFFAOYSA-N 1 1 404.536 0.708 20 0 HCADMO COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556100894 1078434453 /nfs/dbraw/zinc/43/44/53/1078434453.db2.gz JZVLVAMMAZBZFY-INIZCTEOSA-N 1 1 420.510 0.107 20 0 HCADMO COc1ccccc1OC[C@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556100896 1078434325 /nfs/dbraw/zinc/43/43/25/1078434325.db2.gz JZVLVAMMAZBZFY-MRXNPFEDSA-N 1 1 420.510 0.107 20 0 HCADMO C[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000556100919 1078434945 /nfs/dbraw/zinc/43/49/45/1078434945.db2.gz PECDMXVTNWFMHY-JTQLQIEISA-N 1 1 421.445 0.619 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000556100924 1078434856 /nfs/dbraw/zinc/43/48/56/1078434856.db2.gz PECDMXVTNWFMHY-SNVBAGLBSA-N 1 1 421.445 0.619 20 0 HCADMO CN1CCN(C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100970 1078434968 /nfs/dbraw/zinc/43/49/68/1078434968.db2.gz PNEGUYOXOBGTJN-GHTZIAJQSA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100970 1078434967 /nfs/dbraw/zinc/43/49/67/1078434967.db2.gz PNEGUYOXOBGTJN-GHTZIAJQSA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100972 1078434849 /nfs/dbraw/zinc/43/48/49/1078434849.db2.gz PNEGUYOXOBGTJN-NQIIRXRSSA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100972 1078434848 /nfs/dbraw/zinc/43/48/48/1078434848.db2.gz PNEGUYOXOBGTJN-NQIIRXRSSA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100974 1078434913 /nfs/dbraw/zinc/43/49/13/1078434913.db2.gz PNEGUYOXOBGTJN-RXVVDRJESA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100974 1078434909 /nfs/dbraw/zinc/43/49/09/1078434909.db2.gz PNEGUYOXOBGTJN-RXVVDRJESA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100976 1078434894 /nfs/dbraw/zinc/43/48/94/1078434894.db2.gz PNEGUYOXOBGTJN-WIYYLYMNSA-N 1 1 413.566 0.692 20 0 HCADMO CN1CCN(C[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)CC1 ZINC000556100976 1078434890 /nfs/dbraw/zinc/43/48/90/1078434890.db2.gz PNEGUYOXOBGTJN-WIYYLYMNSA-N 1 1 413.566 0.692 20 0 HCADMO Cc1ccc(C2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000556101023 1078434222 /nfs/dbraw/zinc/43/42/22/1078434222.db2.gz QAOYTAOJFBUXQP-UHFFFAOYSA-N 1 1 401.511 0.376 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000556101049 1078434840 /nfs/dbraw/zinc/43/48/40/1078434840.db2.gz QSLKXVQLDFJDJR-IBGZPJMESA-N 1 1 400.523 0.748 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000556101050 1078434853 /nfs/dbraw/zinc/43/48/53/1078434853.db2.gz QSLKXVQLDFJDJR-LJQANCHMSA-N 1 1 400.523 0.748 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000556101235 1078436402 /nfs/dbraw/zinc/43/64/02/1078436402.db2.gz UDVKGTMTNMKNSW-IBGZPJMESA-N 1 1 400.523 0.891 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000556101236 1078436355 /nfs/dbraw/zinc/43/63/55/1078436355.db2.gz UDVKGTMTNMKNSW-LJQANCHMSA-N 1 1 400.523 0.891 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CCC2)cc1 ZINC000556101272 1078436413 /nfs/dbraw/zinc/43/64/13/1078436413.db2.gz UXKBCWUWNLTJAF-UHFFFAOYSA-N 1 1 416.522 0.513 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2c(Cl)cccc2Cl)CC1 ZINC000556101276 1078436430 /nfs/dbraw/zinc/43/64/30/1078436430.db2.gz PMPRNOCXYBSVGR-UHFFFAOYSA-N 1 1 401.294 0.890 20 0 HCADMO NC(=O)c1cc(CNC(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)on1 ZINC000556101352 1078436001 /nfs/dbraw/zinc/43/60/01/1078436001.db2.gz VOSUVQYDOKMUSP-INIZCTEOSA-N 1 1 419.869 0.996 20 0 HCADMO NC(=O)c1cc(CNC(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)on1 ZINC000556101353 1078436061 /nfs/dbraw/zinc/43/60/61/1078436061.db2.gz VOSUVQYDOKMUSP-MRXNPFEDSA-N 1 1 419.869 0.996 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC(OC3CCCCC3)CC2)CC1 ZINC000556101384 1078435992 /nfs/dbraw/zinc/43/59/92/1078435992.db2.gz QXDWOLKJLGJVNM-UHFFFAOYSA-N 1 1 408.543 0.607 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCCc2ccc(F)c(F)c2)CC1 ZINC000556101440 1078435710 /nfs/dbraw/zinc/43/57/10/1078435710.db2.gz WUDQGVCVCHQJBZ-UHFFFAOYSA-N 1 1 410.465 0.684 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000556101577 1078435662 /nfs/dbraw/zinc/43/56/62/1078435662.db2.gz UTDMDAPLQVFCPR-GOSISDBHSA-N 1 1 401.511 0.370 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000556101579 1078435644 /nfs/dbraw/zinc/43/56/44/1078435644.db2.gz UTDMDAPLQVFCPR-SFHVURJKSA-N 1 1 401.511 0.370 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000556101611 1078435303 /nfs/dbraw/zinc/43/53/03/1078435303.db2.gz VJBNZHHZOGYUOP-GOSISDBHSA-N 1 1 401.511 0.806 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000556101612 1078435403 /nfs/dbraw/zinc/43/54/03/1078435403.db2.gz VJBNZHHZOGYUOP-SFHVURJKSA-N 1 1 401.511 0.806 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000556101630 1078435394 /nfs/dbraw/zinc/43/53/94/1078435394.db2.gz YUMGOLCWGOOFGQ-HKUYNNGSSA-N 1 1 402.495 0.161 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000556101631 1078435473 /nfs/dbraw/zinc/43/54/73/1078435473.db2.gz YUMGOLCWGOOFGQ-IEBWSBKVSA-N 1 1 402.495 0.161 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000556101632 1078435515 /nfs/dbraw/zinc/43/55/15/1078435515.db2.gz YUMGOLCWGOOFGQ-MJGOQNOKSA-N 1 1 402.495 0.161 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000556101633 1078435702 /nfs/dbraw/zinc/43/57/02/1078435702.db2.gz YUMGOLCWGOOFGQ-PKOBYXMFSA-N 1 1 402.495 0.161 20 0 HCADMO CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000556101772 1078435358 /nfs/dbraw/zinc/43/53/58/1078435358.db2.gz XLNIISHOZFFOLR-LEWJYISDSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556101772 1078435352 /nfs/dbraw/zinc/43/53/52/1078435352.db2.gz XLNIISHOZFFOLR-LEWJYISDSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556101773 1078435451 /nfs/dbraw/zinc/43/54/51/1078435451.db2.gz XLNIISHOZFFOLR-NHCUHLMSSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556101773 1078435446 /nfs/dbraw/zinc/43/54/46/1078435446.db2.gz XLNIISHOZFFOLR-NHCUHLMSSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556101774 1078435507 /nfs/dbraw/zinc/43/55/07/1078435507.db2.gz XLNIISHOZFFOLR-RTWAWAEBSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556101774 1078435505 /nfs/dbraw/zinc/43/55/05/1078435505.db2.gz XLNIISHOZFFOLR-RTWAWAEBSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000556101775 1078435271 /nfs/dbraw/zinc/43/52/71/1078435271.db2.gz XLNIISHOZFFOLR-SFTDATJTSA-N 1 1 413.566 0.786 20 0 HCADMO CN(C(=O)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000556101775 1078435266 /nfs/dbraw/zinc/43/52/66/1078435266.db2.gz XLNIISHOZFFOLR-SFTDATJTSA-N 1 1 413.566 0.786 20 0 HCADMO COc1ccc2c(c1)CCC[C@H]2CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101800 1078435316 /nfs/dbraw/zinc/43/53/16/1078435316.db2.gz YAXURWGBGJUGAR-KRWDZBQOSA-N 1 1 416.522 0.512 20 0 HCADMO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101801 1078435481 /nfs/dbraw/zinc/43/54/81/1078435481.db2.gz YAXURWGBGJUGAR-QGZVFWFLSA-N 1 1 416.522 0.512 20 0 HCADMO CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000556101819 1078435376 /nfs/dbraw/zinc/43/53/76/1078435376.db2.gz YNDIJLOIMUUSMS-UHFFFAOYSA-N 1 1 409.575 0.237 20 0 HCADMO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556102504 1078436671 /nfs/dbraw/zinc/43/66/71/1078436671.db2.gz IMBBEHFQEVXMNA-CYBMUJFWSA-N 1 1 412.437 0.129 20 0 HCADMO C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556102505 1078436723 /nfs/dbraw/zinc/43/67/23/1078436723.db2.gz IMBBEHFQEVXMNA-ZDUSSCGKSA-N 1 1 412.437 0.129 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000556102655 1078436534 /nfs/dbraw/zinc/43/65/34/1078436534.db2.gz NVZGBZPKNVKWCU-KRWDZBQOSA-N 1 1 415.519 0.629 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000556102656 1078436618 /nfs/dbraw/zinc/43/66/18/1078436618.db2.gz NVZGBZPKNVKWCU-QGZVFWFLSA-N 1 1 415.519 0.629 20 0 HCADMO Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556102757 1078436367 /nfs/dbraw/zinc/43/63/67/1078436367.db2.gz TUNGVARNBMOOKS-UHFFFAOYSA-N 1 1 424.929 0.814 20 0 HCADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000556103067 1078436935 /nfs/dbraw/zinc/43/69/35/1078436935.db2.gz GATOLCAMNFDJMD-CYBMUJFWSA-N 1 1 412.450 0.617 20 0 HCADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000556103075 1078436896 /nfs/dbraw/zinc/43/68/96/1078436896.db2.gz GATOLCAMNFDJMD-ZDUSSCGKSA-N 1 1 412.450 0.617 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000556105570 1078438895 /nfs/dbraw/zinc/43/88/95/1078438895.db2.gz NKYDPVUGGOGLGD-UHFFFAOYSA-N 1 1 400.483 0.559 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000556106505 1078439944 /nfs/dbraw/zinc/43/99/44/1078439944.db2.gz KOACXSPARXVDOS-INIZCTEOSA-N 1 1 418.538 0.746 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000556106505 1078439940 /nfs/dbraw/zinc/43/99/40/1078439940.db2.gz KOACXSPARXVDOS-INIZCTEOSA-N 1 1 418.538 0.746 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000556106506 1078439965 /nfs/dbraw/zinc/43/99/65/1078439965.db2.gz KOACXSPARXVDOS-MRXNPFEDSA-N 1 1 418.538 0.746 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000556106506 1078439963 /nfs/dbraw/zinc/43/99/63/1078439963.db2.gz KOACXSPARXVDOS-MRXNPFEDSA-N 1 1 418.538 0.746 20 0 HCADMO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000556106581 1078439631 /nfs/dbraw/zinc/43/96/31/1078439631.db2.gz MRTXZPKHFFEYGN-DLBZAZTESA-N 1 1 418.538 0.916 20 0 HCADMO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000556106582 1078439666 /nfs/dbraw/zinc/43/96/66/1078439666.db2.gz MRTXZPKHFFEYGN-IAGOWNOFSA-N 1 1 418.538 0.916 20 0 HCADMO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000556106583 1078439587 /nfs/dbraw/zinc/43/95/87/1078439587.db2.gz MRTXZPKHFFEYGN-IRXDYDNUSA-N 1 1 418.538 0.916 20 0 HCADMO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000556106584 1078439599 /nfs/dbraw/zinc/43/95/99/1078439599.db2.gz MRTXZPKHFFEYGN-SJORKVTESA-N 1 1 418.538 0.916 20 0 HCADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106793 1078439615 /nfs/dbraw/zinc/43/96/15/1078439615.db2.gz SEMPWZZFCKTZMN-MSOLQXFVSA-N 1 1 416.522 0.288 20 0 HCADMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000556106794 1078439569 /nfs/dbraw/zinc/43/95/69/1078439569.db2.gz SEMPWZZFCKTZMN-QZTJIDSGSA-N 1 1 416.522 0.288 20 0 HCADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106795 1078439679 /nfs/dbraw/zinc/43/96/79/1078439679.db2.gz SEMPWZZFCKTZMN-ROUUACIJSA-N 1 1 416.522 0.288 20 0 HCADMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000556106796 1078439639 /nfs/dbraw/zinc/43/96/39/1078439639.db2.gz SEMPWZZFCKTZMN-ZWKOTPCHSA-N 1 1 416.522 0.288 20 0 HCADMO CCCNC(=O)c1cccc(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000556106910 1078439324 /nfs/dbraw/zinc/43/93/24/1078439324.db2.gz VSNSDYNEGLUHPZ-UHFFFAOYSA-N 1 1 418.538 0.748 20 0 HCADMO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000556107443 1078440533 /nfs/dbraw/zinc/44/05/33/1078440533.db2.gz GLJMAFUNKPPYRC-AWEZNQCLSA-N 1 1 414.510 0.947 20 0 HCADMO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000556107444 1078440542 /nfs/dbraw/zinc/44/05/42/1078440542.db2.gz GLJMAFUNKPPYRC-CQSZACIVSA-N 1 1 414.510 0.947 20 0 HCADMO CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000556107631 1078440580 /nfs/dbraw/zinc/44/05/80/1078440580.db2.gz IIKKUFJXYBGXCE-INIZCTEOSA-N 1 1 418.538 0.746 20 0 HCADMO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000556107632 1078440574 /nfs/dbraw/zinc/44/05/74/1078440574.db2.gz IIKKUFJXYBGXCE-MRXNPFEDSA-N 1 1 418.538 0.746 20 0 HCADMO CCN(C(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556110057 1078443199 /nfs/dbraw/zinc/44/31/99/1078443199.db2.gz OXKZKMHNFXSRFB-AZUAARDMSA-N 1 1 402.539 0.946 20 0 HCADMO CCN(C(=O)C(=O)N[C@@H](C)CN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556110059 1078443168 /nfs/dbraw/zinc/44/31/68/1078443168.db2.gz OXKZKMHNFXSRFB-ICSRJNTNSA-N 1 1 402.539 0.946 20 0 HCADMO CCN(C(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556110061 1078443176 /nfs/dbraw/zinc/44/31/76/1078443176.db2.gz OXKZKMHNFXSRFB-QUCCMNQESA-N 1 1 402.539 0.946 20 0 HCADMO CCN(C(=O)C(=O)N[C@H](C)CN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556110064 1078443143 /nfs/dbraw/zinc/44/31/43/1078443143.db2.gz OXKZKMHNFXSRFB-UYAOXDASSA-N 1 1 402.539 0.946 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110995 1078443505 /nfs/dbraw/zinc/44/35/05/1078443505.db2.gz VCTRGHDPLPETKC-UHFFFAOYSA-N 1 1 417.554 0.246 20 0 HCADMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110995 1078443504 /nfs/dbraw/zinc/44/35/04/1078443504.db2.gz VCTRGHDPLPETKC-UHFFFAOYSA-N 1 1 417.554 0.246 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)C[C@H](C)O1 ZINC000556111778 1078444711 /nfs/dbraw/zinc/44/47/11/1078444711.db2.gz PWHGAWSQSMBLQJ-CALCHBBNSA-N 1 1 418.538 0.765 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)C[C@H](C)O1 ZINC000556111778 1078444704 /nfs/dbraw/zinc/44/47/04/1078444704.db2.gz PWHGAWSQSMBLQJ-CALCHBBNSA-N 1 1 418.538 0.765 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)C[C@@H](C)O1 ZINC000556111779 1078444657 /nfs/dbraw/zinc/44/46/57/1078444657.db2.gz PWHGAWSQSMBLQJ-IAGOWNOFSA-N 1 1 418.538 0.765 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)C[C@H](C)O1 ZINC000556111780 1078444602 /nfs/dbraw/zinc/44/46/02/1078444602.db2.gz PWHGAWSQSMBLQJ-IRXDYDNUSA-N 1 1 418.538 0.765 20 0 HCADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556111868 1078444450 /nfs/dbraw/zinc/44/44/50/1078444450.db2.gz SGFZUKXSSGWNCL-QGZVFWFLSA-N 1 1 416.522 0.473 20 0 HCADMO O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000556111986 1078444436 /nfs/dbraw/zinc/44/44/36/1078444436.db2.gz UPACKCGBKSWSND-KRWDZBQOSA-N 1 1 404.536 0.631 20 0 HCADMO O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000556111988 1078444388 /nfs/dbraw/zinc/44/43/88/1078444388.db2.gz UPACKCGBKSWSND-QGZVFWFLSA-N 1 1 404.536 0.631 20 0 HCADMO CN(Cc1cnccn1)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556112124 1078445678 /nfs/dbraw/zinc/44/56/78/1078445678.db2.gz AQKUZLCWHWQPLX-UHFFFAOYSA-N 1 1 410.522 0.759 20 0 HCADMO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000556112539 1078445385 /nfs/dbraw/zinc/44/53/85/1078445385.db2.gz ZCINDJVKRPTZAB-UHFFFAOYSA-N 1 1 404.511 0.066 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000556112712 1078445337 /nfs/dbraw/zinc/44/53/37/1078445337.db2.gz DOTNXSYLFKSIJJ-KDURUIRLSA-N 1 1 402.539 0.946 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000556113375 1078446947 /nfs/dbraw/zinc/44/69/47/1078446947.db2.gz OYNOZFMYHHJHAD-GGPKGHCWSA-N 1 1 402.539 0.993 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000556113377 1078447074 /nfs/dbraw/zinc/44/70/74/1078447074.db2.gz OYNOZFMYHHJHAD-HBFSDRIKSA-N 1 1 402.539 0.993 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000556113378 1078446924 /nfs/dbraw/zinc/44/69/24/1078446924.db2.gz OYNOZFMYHHJHAD-QWFCFKBJSA-N 1 1 402.539 0.993 20 0 HCADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000556113379 1078447027 /nfs/dbraw/zinc/44/70/27/1078447027.db2.gz OYNOZFMYHHJHAD-WSTZPKSXSA-N 1 1 402.539 0.993 20 0 HCADMO COC1(CNC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000556113462 1078446757 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/nfs/dbraw/zinc/44/77/90/1078447790.db2.gz LPJLYKZHCFHDHB-AEFFLSMTSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126478 1078447788 /nfs/dbraw/zinc/44/77/88/1078447788.db2.gz LPJLYKZHCFHDHB-AEFFLSMTSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126478 1078447786 /nfs/dbraw/zinc/44/77/86/1078447786.db2.gz LPJLYKZHCFHDHB-AEFFLSMTSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126479 1078447709 /nfs/dbraw/zinc/44/77/09/1078447709.db2.gz LPJLYKZHCFHDHB-FUHWJXTLSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126479 1078447706 /nfs/dbraw/zinc/44/77/06/1078447706.db2.gz LPJLYKZHCFHDHB-FUHWJXTLSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126479 1078447704 /nfs/dbraw/zinc/44/77/04/1078447704.db2.gz LPJLYKZHCFHDHB-FUHWJXTLSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126480 1078447688 /nfs/dbraw/zinc/44/76/88/1078447688.db2.gz LPJLYKZHCFHDHB-SJLPKXTDSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126480 1078447686 /nfs/dbraw/zinc/44/76/86/1078447686.db2.gz LPJLYKZHCFHDHB-SJLPKXTDSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)S(C)(=O)=O ZINC000556126480 1078447682 /nfs/dbraw/zinc/44/76/82/1078447682.db2.gz LPJLYKZHCFHDHB-SJLPKXTDSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126481 1078447734 /nfs/dbraw/zinc/44/77/34/1078447734.db2.gz LPJLYKZHCFHDHB-WMZOPIPTSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126481 1078447732 /nfs/dbraw/zinc/44/77/32/1078447732.db2.gz LPJLYKZHCFHDHB-WMZOPIPTSA-N 1 1 424.567 0.031 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)S(C)(=O)=O ZINC000556126481 1078447730 /nfs/dbraw/zinc/44/77/30/1078447730.db2.gz LPJLYKZHCFHDHB-WMZOPIPTSA-N 1 1 424.567 0.031 20 0 HCADMO O=C(NCCCN1CCc2ccccc21)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556126646 1078449557 /nfs/dbraw/zinc/44/95/57/1078449557.db2.gz QYNFQWAGYDOORC-GOSISDBHSA-N 1 1 400.523 0.736 20 0 HCADMO O=C(NCCCN1CCc2ccccc21)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556126647 1078449673 /nfs/dbraw/zinc/44/96/73/1078449673.db2.gz QYNFQWAGYDOORC-SFHVURJKSA-N 1 1 400.523 0.736 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000556126934 1078449572 /nfs/dbraw/zinc/44/95/72/1078449572.db2.gz ZQAYXLGNQSIUCX-FQEVSTJZSA-N 1 1 410.522 0.896 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000556126934 1078449567 /nfs/dbraw/zinc/44/95/67/1078449567.db2.gz ZQAYXLGNQSIUCX-FQEVSTJZSA-N 1 1 410.522 0.896 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000556126934 1078449564 /nfs/dbraw/zinc/44/95/64/1078449564.db2.gz ZQAYXLGNQSIUCX-FQEVSTJZSA-N 1 1 410.522 0.896 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000556126936 1078449609 /nfs/dbraw/zinc/44/96/09/1078449609.db2.gz ZQAYXLGNQSIUCX-HXUWFJFHSA-N 1 1 410.522 0.896 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000556126936 1078449599 /nfs/dbraw/zinc/44/95/99/1078449599.db2.gz ZQAYXLGNQSIUCX-HXUWFJFHSA-N 1 1 410.522 0.896 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000556126936 1078449592 /nfs/dbraw/zinc/44/95/92/1078449592.db2.gz ZQAYXLGNQSIUCX-HXUWFJFHSA-N 1 1 410.522 0.896 20 0 HCADMO O=C(C[N@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCC1 ZINC000556127553 1078455884 /nfs/dbraw/zinc/45/58/84/1078455884.db2.gz NNNOAOYUXGUVDT-CALCHBBNSA-N 1 1 402.495 0.094 20 0 HCADMO O=C(C[N@@H+]1CCCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1)N1CCCC1 ZINC000556127553 1078455882 /nfs/dbraw/zinc/45/58/82/1078455882.db2.gz NNNOAOYUXGUVDT-CALCHBBNSA-N 1 1 402.495 0.094 20 0 HCADMO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556128617 1078456130 /nfs/dbraw/zinc/45/61/30/1078456130.db2.gz ZGRZTCYRCAWIKL-FQEVSTJZSA-N 1 1 404.511 0.487 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556128919 1078455658 /nfs/dbraw/zinc/45/56/58/1078455658.db2.gz NASCLKFFXBXJPL-HZSPNIEDSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556128919 1078455654 /nfs/dbraw/zinc/45/56/54/1078455654.db2.gz NASCLKFFXBXJPL-HZSPNIEDSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000556128920 1078455794 /nfs/dbraw/zinc/45/57/94/1078455794.db2.gz NASCLKFFXBXJPL-MELADBBJSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556128921 1078455637 /nfs/dbraw/zinc/45/56/37/1078455637.db2.gz NASCLKFFXBXJPL-MGPQQGTHSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556128922 1078455722 /nfs/dbraw/zinc/45/57/22/1078455722.db2.gz NASCLKFFXBXJPL-MJBXVCDLSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556128922 1078455715 /nfs/dbraw/zinc/45/57/15/1078455715.db2.gz NASCLKFFXBXJPL-MJBXVCDLSA-N 1 1 407.471 0.245 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000556128995 1078456147 /nfs/dbraw/zinc/45/61/47/1078456147.db2.gz PGWJTQBUWWXVPF-UHFFFAOYSA-N 1 1 415.450 0.659 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000556133302 1078454082 /nfs/dbraw/zinc/45/40/82/1078454082.db2.gz IOIVJVQKDOYOBV-KBXCAEBGSA-N 1 1 401.511 0.574 20 0 HCADMO C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000556133303 1078454152 /nfs/dbraw/zinc/45/41/52/1078454152.db2.gz IOIVJVQKDOYOBV-KDOFPFPSSA-N 1 1 401.511 0.574 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000556133304 1078454213 /nfs/dbraw/zinc/45/42/13/1078454213.db2.gz IOIVJVQKDOYOBV-KSSFIOAISA-N 1 1 401.511 0.574 20 0 HCADMO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000556133305 1078454034 /nfs/dbraw/zinc/45/40/34/1078454034.db2.gz IOIVJVQKDOYOBV-RDTXWAMCSA-N 1 1 401.511 0.574 20 0 HCADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000556133309 1078454136 /nfs/dbraw/zinc/45/41/36/1078454136.db2.gz ITFROODWPYAVFK-AWEZNQCLSA-N 1 1 402.417 0.606 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000556133310 1078454199 /nfs/dbraw/zinc/45/41/99/1078454199.db2.gz ITFROODWPYAVFK-CQSZACIVSA-N 1 1 402.417 0.606 20 0 HCADMO CNC(=O)c1cccc(CNC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000556134421 1078454482 /nfs/dbraw/zinc/45/44/82/1078454482.db2.gz QAEIRQCHYQBWOE-OAHLLOKOSA-N 1 1 402.495 0.374 20 0 HCADMO CNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000556134835 1078454122 /nfs/dbraw/zinc/45/41/22/1078454122.db2.gz XMDPWYZXCWGLKJ-FQEVSTJZSA-N 1 1 424.501 0.545 20 0 HCADMO CNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000556134836 1078454105 /nfs/dbraw/zinc/45/41/05/1078454105.db2.gz XMDPWYZXCWGLKJ-HXUWFJFHSA-N 1 1 424.501 0.545 20 0 HCADMO CCCCN(C(=O)CN1CCC[N@@H+](C)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000556135356 1078455045 /nfs/dbraw/zinc/45/50/45/1078455045.db2.gz DLFPVDOEUFERSQ-UHFFFAOYSA-N 1 1 408.547 0.958 20 0 HCADMO O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000556135942 1078454606 /nfs/dbraw/zinc/45/46/06/1078454606.db2.gz VRSFOJNLNGURIA-HNNXBMFYSA-N 1 1 415.943 0.877 20 0 HCADMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000556135945 1078454571 /nfs/dbraw/zinc/45/45/71/1078454571.db2.gz VRSFOJNLNGURIA-OAHLLOKOSA-N 1 1 415.943 0.877 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000556147629 1078462057 /nfs/dbraw/zinc/46/20/57/1078462057.db2.gz UZUSNTGEJHLNLP-UHFFFAOYSA-N 1 1 424.929 0.871 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000556148870 1078462295 /nfs/dbraw/zinc/46/22/95/1078462295.db2.gz DUHIPTRGTFMTHJ-UHFFFAOYSA-N 1 1 406.483 0.046 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cn1 ZINC000556148996 1078462268 /nfs/dbraw/zinc/46/22/68/1078462268.db2.gz HDDNBYZQHHRSDV-INIZCTEOSA-N 1 1 420.510 0.435 20 0 HCADMO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000556150099 1078463151 /nfs/dbraw/zinc/46/31/51/1078463151.db2.gz UCKAHYQLQGEDLD-AWEZNQCLSA-N 1 1 403.439 0.401 20 0 HCADMO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000556150626 1078463626 /nfs/dbraw/zinc/46/36/26/1078463626.db2.gz IBLPHWDZSPVVJZ-FQEVSTJZSA-N 1 1 400.523 0.730 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000556150627 1078463591 /nfs/dbraw/zinc/46/35/91/1078463591.db2.gz IBLPHWDZSPVVJZ-HXUWFJFHSA-N 1 1 400.523 0.730 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151657 1078464204 /nfs/dbraw/zinc/46/42/04/1078464204.db2.gz SNROOBHJUXQALJ-AZUAARDMSA-N 1 1 402.539 0.976 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151658 1078464167 /nfs/dbraw/zinc/46/41/67/1078464167.db2.gz SNROOBHJUXQALJ-ICSRJNTNSA-N 1 1 402.539 0.976 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556151659 1078464198 /nfs/dbraw/zinc/46/41/98/1078464198.db2.gz SNROOBHJUXQALJ-QUCCMNQESA-N 1 1 402.539 0.976 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556151660 1078464162 /nfs/dbraw/zinc/46/41/62/1078464162.db2.gz SNROOBHJUXQALJ-UYAOXDASSA-N 1 1 402.539 0.976 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151827 1078464017 /nfs/dbraw/zinc/46/40/17/1078464017.db2.gz ZNGYEOWRKQTOGX-KRWDZBQOSA-N 1 1 405.543 0.875 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(OC(C)C)nc2)CC1 ZINC000556151828 1078463842 /nfs/dbraw/zinc/46/38/42/1078463842.db2.gz ZNGYEOWRKQTOGX-QGZVFWFLSA-N 1 1 405.543 0.875 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000556152762 1078464943 /nfs/dbraw/zinc/46/49/43/1078464943.db2.gz BNBNIDVMGZRUQU-UHFFFAOYSA-N 1 1 405.499 0.108 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1OC ZINC000556153394 1078461624 /nfs/dbraw/zinc/46/16/24/1078461624.db2.gz MVIUQTZDNOOGKT-UHFFFAOYSA-N 1 1 420.510 0.031 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1OC ZINC000556155537 1078466465 /nfs/dbraw/zinc/46/64/65/1078466465.db2.gz NPRLHZLYUBGHGR-UHFFFAOYSA-N 1 1 406.527 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ZINC000556167690 1078471577 /nfs/dbraw/zinc/47/15/77/1078471577.db2.gz QTRURVYCOBBNNM-AYEUKFJJSA-N 1 1 414.616 0.716 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000556167691 1078471455 /nfs/dbraw/zinc/47/14/55/1078471455.db2.gz QTRURVYCOBBNNM-JAGNJQOISA-N 1 1 414.616 0.716 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)CC1 ZINC000556167692 1078471430 /nfs/dbraw/zinc/47/14/30/1078471430.db2.gz QTRURVYCOBBNNM-WJSCTFBISA-N 1 1 414.616 0.716 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000556167693 1078471510 /nfs/dbraw/zinc/47/15/10/1078471510.db2.gz QTRURVYCOBBNNM-YAHRNXAISA-N 1 1 414.616 0.716 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000556167710 1078471527 /nfs/dbraw/zinc/47/15/27/1078471527.db2.gz RNBRURZLBOGJMW-UHFFFAOYSA-N 1 1 415.582 0.517 20 0 HCADMO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556167878 1078470777 /nfs/dbraw/zinc/47/07/77/1078470777.db2.gz XAAXJBLESBNMFH-GOSISDBHSA-N 1 1 409.575 0.284 20 0 HCADMO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556167879 1078470635 /nfs/dbraw/zinc/47/06/35/1078470635.db2.gz XAAXJBLESBNMFH-SFHVURJKSA-N 1 1 409.575 0.284 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000556167913 1078470751 /nfs/dbraw/zinc/47/07/51/1078470751.db2.gz XUEAKVKFAZSBOZ-KRWDZBQOSA-N 1 1 409.575 0.426 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000556167914 1078470697 /nfs/dbraw/zinc/47/06/97/1078470697.db2.gz XUEAKVKFAZSBOZ-QGZVFWFLSA-N 1 1 409.575 0.426 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000556167923 1078471108 /nfs/dbraw/zinc/47/11/08/1078471108.db2.gz YCZIFWUFRHDEHO-HZPDHXFCSA-N 1 1 402.561 0.297 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000556167924 1078471013 /nfs/dbraw/zinc/47/10/13/1078471013.db2.gz YCZIFWUFRHDEHO-JKSUJKDBSA-N 1 1 402.561 0.297 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 ZINC000556168046 1078470794 /nfs/dbraw/zinc/47/07/94/1078470794.db2.gz CGYWXGZPAOAGAF-UHFFFAOYSA-N 1 1 400.527 0.756 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168137 1078472046 /nfs/dbraw/zinc/47/20/46/1078472046.db2.gz GMEJXXQHNGVRLT-BTYIYWSLSA-N 1 1 421.542 0.451 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168138 1078472035 /nfs/dbraw/zinc/47/20/35/1078472035.db2.gz GMEJXXQHNGVRLT-QVKFZJNVSA-N 1 1 421.542 0.451 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168139 1078472071 /nfs/dbraw/zinc/47/20/71/1078472071.db2.gz GMEJXXQHNGVRLT-VFNWGFHPSA-N 1 1 421.542 0.451 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000556168140 1078472053 /nfs/dbraw/zinc/47/20/53/1078472053.db2.gz GMEJXXQHNGVRLT-YCRPNKLZSA-N 1 1 421.542 0.451 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000556168144 1078472068 /nfs/dbraw/zinc/47/20/68/1078472068.db2.gz GRXOCMVIODDCLU-UHFFFAOYSA-N 1 1 413.526 0.417 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000556168270 1078472982 /nfs/dbraw/zinc/47/29/82/1078472982.db2.gz JYHJPLIUZVLSGW-UHFFFAOYSA-N 1 1 422.961 0.527 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556168425 1078472924 /nfs/dbraw/zinc/47/29/24/1078472924.db2.gz ONAPLZQITQKGMN-UHFFFAOYSA-N 1 1 401.555 0.869 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556168476 1078472320 /nfs/dbraw/zinc/47/23/20/1078472320.db2.gz PXZDVZMVCVNAJS-UHFFFAOYSA-N 1 1 409.575 0.237 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000556168660 1078472536 /nfs/dbraw/zinc/47/25/36/1078472536.db2.gz WCGRKIPCQRIGAN-MOPGFXCFSA-N 1 1 421.586 0.428 20 0 HCADMO C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556168706 1078472420 /nfs/dbraw/zinc/47/24/20/1078472420.db2.gz XFDZCVLBOGRBAF-HNNXBMFYSA-N 1 1 412.481 0.992 20 0 HCADMO C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556168707 1078472580 /nfs/dbraw/zinc/47/25/80/1078472580.db2.gz XFDZCVLBOGRBAF-OAHLLOKOSA-N 1 1 412.481 0.992 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000556168826 1078472000 /nfs/dbraw/zinc/47/20/00/1078472000.db2.gz ZKXJDXDVSNSQLV-FQEVSTJZSA-N 1 1 402.539 0.600 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000556168827 1078472056 /nfs/dbraw/zinc/47/20/56/1078472056.db2.gz ZKXJDXDVSNSQLV-HXUWFJFHSA-N 1 1 402.539 0.600 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556169405 1078473896 /nfs/dbraw/zinc/47/38/96/1078473896.db2.gz BDJQVFJGRZVLAJ-KDURUIRLSA-N 1 1 411.591 0.088 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556169438 1078474029 /nfs/dbraw/zinc/47/40/29/1078474029.db2.gz CENRFQYKIGKHGF-GOSISDBHSA-N 1 1 404.559 0.835 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000556169439 1078473918 /nfs/dbraw/zinc/47/39/18/1078473918.db2.gz CENRFQYKIGKHGF-SFHVURJKSA-N 1 1 404.559 0.835 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000556169458 1078473980 /nfs/dbraw/zinc/47/39/80/1078473980.db2.gz ACZXDVAPWGIGKO-UHFFFAOYSA-N 1 1 421.508 0.521 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169484 1078473473 /nfs/dbraw/zinc/47/34/73/1078473473.db2.gz AUYWHOWVSBAQOZ-INIZCTEOSA-N 1 1 423.508 0.804 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000556169486 1078473446 /nfs/dbraw/zinc/47/34/46/1078473446.db2.gz AUYWHOWVSBAQOZ-MRXNPFEDSA-N 1 1 423.508 0.804 20 0 HCADMO COc1cc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)ncn1 ZINC000556169500 1078473540 /nfs/dbraw/zinc/47/35/40/1078473540.db2.gz CUXBSBKHINIXPH-KRWDZBQOSA-N 1 1 418.542 0.905 20 0 HCADMO COc1cc(N2CCN(C(=O)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)ncn1 ZINC000556169502 1078473425 /nfs/dbraw/zinc/47/34/25/1078473425.db2.gz CUXBSBKHINIXPH-QGZVFWFLSA-N 1 1 418.542 0.905 20 0 HCADMO COc1cc(CN(C)C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cc(OC)c1 ZINC000556169572 1078473407 /nfs/dbraw/zinc/47/34/07/1078473407.db2.gz BLDHFCGQBNVFJR-UHFFFAOYSA-N 1 1 406.527 0.806 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1 ZINC000556169600 1078473491 /nfs/dbraw/zinc/47/34/91/1078473491.db2.gz DXNFKOVTFAQVSW-UHFFFAOYSA-N 1 1 400.445 0.906 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000556169709 1078473552 /nfs/dbraw/zinc/47/35/52/1078473552.db2.gz AXSAZFNQRHWLGB-KRWDZBQOSA-N 1 1 418.542 0.057 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)C1 ZINC000556169710 1078473565 /nfs/dbraw/zinc/47/35/65/1078473565.db2.gz AXSAZFNQRHWLGB-QGZVFWFLSA-N 1 1 418.542 0.057 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556169712 1078473394 /nfs/dbraw/zinc/47/33/94/1078473394.db2.gz BHJGZNOUYSEGSO-GOSISDBHSA-N 1 1 418.538 0.819 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556169713 1078473507 /nfs/dbraw/zinc/47/35/07/1078473507.db2.gz BHJGZNOUYSEGSO-SFHVURJKSA-N 1 1 418.538 0.819 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000556169848 1078473018 /nfs/dbraw/zinc/47/30/18/1078473018.db2.gz DUFGTWQNTIKYCO-UHFFFAOYSA-N 1 1 400.527 0.376 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 ZINC000556170117 1078474038 /nfs/dbraw/zinc/47/40/38/1078474038.db2.gz GVYFZURJMKFGAG-UHFFFAOYSA-N 1 1 418.538 0.953 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000556170185 1078474409 /nfs/dbraw/zinc/47/44/09/1078474409.db2.gz INOYIQDNWMPMCP-IBGZPJMESA-N 1 1 421.586 0.381 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000556170186 1078474471 /nfs/dbraw/zinc/47/44/71/1078474471.db2.gz INOYIQDNWMPMCP-LJQANCHMSA-N 1 1 421.586 0.381 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000556170350 1078477865 /nfs/dbraw/zinc/47/78/65/1078477865.db2.gz HPRXSPAACADAGZ-INIZCTEOSA-N 1 1 402.561 0.251 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000556170351 1078478060 /nfs/dbraw/zinc/47/80/60/1078478060.db2.gz HPRXSPAACADAGZ-MRXNPFEDSA-N 1 1 402.561 0.251 20 0 HCADMO Cc1ccccc1N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556170382 1078477967 /nfs/dbraw/zinc/47/79/67/1078477967.db2.gz ICXUYNJEWGPEDR-UHFFFAOYSA-N 1 1 401.555 0.787 20 0 HCADMO Cn1cc(CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000556170502 1078478169 /nfs/dbraw/zinc/47/81/69/1078478169.db2.gz LQRXDACFCDJVPU-UHFFFAOYSA-N 1 1 412.538 0.847 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170544 1078478026 /nfs/dbraw/zinc/47/80/26/1078478026.db2.gz MLRMJSZMGSHDMR-AZUAARDMSA-N 1 1 402.539 0.994 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170544 1078478019 /nfs/dbraw/zinc/47/80/19/1078478019.db2.gz MLRMJSZMGSHDMR-AZUAARDMSA-N 1 1 402.539 0.994 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170545 1078477885 /nfs/dbraw/zinc/47/78/85/1078477885.db2.gz MLRMJSZMGSHDMR-ICSRJNTNSA-N 1 1 402.539 0.994 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170545 1078477881 /nfs/dbraw/zinc/47/78/81/1078477881.db2.gz MLRMJSZMGSHDMR-ICSRJNTNSA-N 1 1 402.539 0.994 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170546 1078477998 /nfs/dbraw/zinc/47/79/98/1078477998.db2.gz MLRMJSZMGSHDMR-QUCCMNQESA-N 1 1 402.539 0.994 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170546 1078477995 /nfs/dbraw/zinc/47/79/95/1078477995.db2.gz MLRMJSZMGSHDMR-QUCCMNQESA-N 1 1 402.539 0.994 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000556170547 1078478136 /nfs/dbraw/zinc/47/81/36/1078478136.db2.gz MLRMJSZMGSHDMR-UYAOXDASSA-N 1 1 402.539 0.994 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000556170547 1078478131 /nfs/dbraw/zinc/47/81/31/1078478131.db2.gz MLRMJSZMGSHDMR-UYAOXDASSA-N 1 1 402.539 0.994 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCN(c3cccnn3)CC2)CC1 ZINC000556170617 1078477839 /nfs/dbraw/zinc/47/78/39/1078477839.db2.gz JFLRPCSPJDCJEE-UHFFFAOYSA-N 1 1 417.558 0.049 20 0 HCADMO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556170780 1078477462 /nfs/dbraw/zinc/47/74/62/1078477462.db2.gz MPBCKVGFVNIDNX-KDURUIRLSA-N 1 1 423.602 0.530 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000556170833 1078477348 /nfs/dbraw/zinc/47/73/48/1078477348.db2.gz OHGLYWBWZLIXPH-IBGZPJMESA-N 1 1 404.511 0.436 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000556170834 1078477383 /nfs/dbraw/zinc/47/73/83/1078477383.db2.gz OHGLYWBWZLIXPH-LJQANCHMSA-N 1 1 404.511 0.436 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556170990 1078477515 /nfs/dbraw/zinc/47/75/15/1078477515.db2.gz NTLPIOQPJASPSO-UHFFFAOYSA-N 1 1 405.518 0.618 20 0 HCADMO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000556171134 1078478747 /nfs/dbraw/zinc/47/87/47/1078478747.db2.gz RTWHMTLJAOLSSL-CVEARBPZSA-N 1 1 406.531 0.484 20 0 HCADMO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000556171135 1078478829 /nfs/dbraw/zinc/47/88/29/1078478829.db2.gz RTWHMTLJAOLSSL-HOTGVXAUSA-N 1 1 406.531 0.484 20 0 HCADMO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000556171136 1078478771 /nfs/dbraw/zinc/47/87/71/1078478771.db2.gz RTWHMTLJAOLSSL-HZPDHXFCSA-N 1 1 406.531 0.484 20 0 HCADMO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000556171137 1078478726 /nfs/dbraw/zinc/47/87/26/1078478726.db2.gz RTWHMTLJAOLSSL-JKSUJKDBSA-N 1 1 406.531 0.484 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CCN1CC(F)F ZINC000556171269 1078479925 /nfs/dbraw/zinc/47/99/25/1078479925.db2.gz PKQZKYWTYOINKS-INIZCTEOSA-N 1 1 403.518 0.318 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CCN1CC(F)F ZINC000556171270 1078479904 /nfs/dbraw/zinc/47/99/04/1078479904.db2.gz PKQZKYWTYOINKS-MRXNPFEDSA-N 1 1 403.518 0.318 20 0 HCADMO CN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000556171439 1078479421 /nfs/dbraw/zinc/47/94/21/1078479421.db2.gz ARYGODOZWSMGRE-FQEVSTJZSA-N 1 1 401.555 0.646 20 0 HCADMO CN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)[C@@H](c2ccccc2)C1 ZINC000556171440 1078480065 /nfs/dbraw/zinc/48/00/65/1078480065.db2.gz ARYGODOZWSMGRE-HXUWFJFHSA-N 1 1 401.555 0.646 20 0 HCADMO O=C(NCCCCN1CCOCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000556171883 1078479253 /nfs/dbraw/zinc/47/92/53/1078479253.db2.gz WAAYHWHCIYCJTJ-UHFFFAOYSA-N 1 1 403.527 0.643 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000556171973 1078478902 /nfs/dbraw/zinc/47/89/02/1078478902.db2.gz WKFQCOKUNAOOFR-BTYIYWSLSA-N 1 1 421.542 0.594 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000556171975 1078478740 /nfs/dbraw/zinc/47/87/40/1078478740.db2.gz WKFQCOKUNAOOFR-QVKFZJNVSA-N 1 1 421.542 0.594 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000556171977 1078478785 /nfs/dbraw/zinc/47/87/85/1078478785.db2.gz WKFQCOKUNAOOFR-VFNWGFHPSA-N 1 1 421.542 0.594 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000556171979 1078478891 /nfs/dbraw/zinc/47/88/91/1078478891.db2.gz WKFQCOKUNAOOFR-YCRPNKLZSA-N 1 1 421.542 0.594 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000556172040 1078478664 /nfs/dbraw/zinc/47/86/64/1078478664.db2.gz XCRLLZAXSWDCHU-KRWDZBQOSA-N 1 1 407.559 0.180 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000556172041 1078478803 /nfs/dbraw/zinc/47/88/03/1078478803.db2.gz XCRLLZAXSWDCHU-QGZVFWFLSA-N 1 1 407.559 0.180 20 0 HCADMO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000556172161 1078480172 /nfs/dbraw/zinc/48/01/72/1078480172.db2.gz IQJVIKQXIDJPQO-GOSISDBHSA-N 1 1 417.554 0.952 20 0 HCADMO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)NCCCCN2CCOCC2)CC1 ZINC000556172163 1078480024 /nfs/dbraw/zinc/48/00/24/1078480024.db2.gz IQJVIKQXIDJPQO-SFHVURJKSA-N 1 1 417.554 0.952 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172334 1078480868 /nfs/dbraw/zinc/48/08/68/1078480868.db2.gz WIMNLMVRFQCUGH-DOTOQJQBSA-N 1 1 404.515 0.412 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172335 1078480798 /nfs/dbraw/zinc/48/07/98/1078480798.db2.gz WIMNLMVRFQCUGH-NVXWUHKLSA-N 1 1 404.515 0.412 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172336 1078480852 /nfs/dbraw/zinc/48/08/52/1078480852.db2.gz WIMNLMVRFQCUGH-RDJZCZTQSA-N 1 1 404.515 0.412 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000556172337 1078480905 /nfs/dbraw/zinc/48/09/05/1078480905.db2.gz WIMNLMVRFQCUGH-WBVHZDCISA-N 1 1 404.515 0.412 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000556172751 1078480945 /nfs/dbraw/zinc/48/09/45/1078480945.db2.gz WLEOYRFNPISIKP-UHFFFAOYSA-N 1 1 421.489 0.964 20 0 HCADMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000556172864 1078479964 /nfs/dbraw/zinc/47/99/64/1078479964.db2.gz BHKODUNGBDOSCA-MSOLQXFVSA-N 1 1 421.586 0.569 20 0 HCADMO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000556172865 1078480887 /nfs/dbraw/zinc/48/08/87/1078480887.db2.gz BHKODUNGBDOSCA-QZTJIDSGSA-N 1 1 421.586 0.569 20 0 HCADMO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000556172866 1078480917 /nfs/dbraw/zinc/48/09/17/1078480917.db2.gz BHKODUNGBDOSCA-ROUUACIJSA-N 1 1 421.586 0.569 20 0 HCADMO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000556172867 1078480860 /nfs/dbraw/zinc/48/08/60/1078480860.db2.gz BHKODUNGBDOSCA-ZWKOTPCHSA-N 1 1 421.586 0.569 20 0 HCADMO C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556173034 1078480224 /nfs/dbraw/zinc/48/02/24/1078480224.db2.gz INCYGYFUFCADPL-KRWDZBQOSA-N 1 1 422.599 0.492 20 0 HCADMO C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556173035 1078480116 /nfs/dbraw/zinc/48/01/16/1078480116.db2.gz INCYGYFUFCADPL-QGZVFWFLSA-N 1 1 422.599 0.492 20 0 HCADMO COc1c(C)cnc(CN(C)C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)c1C ZINC000556173760 1078481387 /nfs/dbraw/zinc/48/13/87/1078481387.db2.gz ZHGBSKXZODFLRJ-UHFFFAOYSA-N 1 1 405.543 0.809 20 0 HCADMO C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556173814 1078481765 /nfs/dbraw/zinc/48/17/65/1078481765.db2.gz BBFYYQVAQNXESY-GOSISDBHSA-N 1 1 401.555 0.698 20 0 HCADMO C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556173815 1078481305 /nfs/dbraw/zinc/48/13/05/1078481305.db2.gz BBFYYQVAQNXESY-SFHVURJKSA-N 1 1 401.555 0.698 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000556173875 1078481643 /nfs/dbraw/zinc/48/16/43/1078481643.db2.gz CCQLZAMEVJDYLD-UHFFFAOYSA-N 1 1 406.527 0.470 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000556173977 1078481713 /nfs/dbraw/zinc/48/17/13/1078481713.db2.gz FHAXZAKQCZWUSB-UHFFFAOYSA-N 1 1 416.501 0.771 20 0 HCADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174028 1078481885 /nfs/dbraw/zinc/48/18/85/1078481885.db2.gz GUHQTSQYOGJFPV-MOPGFXCFSA-N 1 1 423.602 0.674 20 0 HCADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556174029 1078481497 /nfs/dbraw/zinc/48/14/97/1078481497.db2.gz GUHQTSQYOGJFPV-OALUTQOASA-N 1 1 423.602 0.674 20 0 HCADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556174030 1078481586 /nfs/dbraw/zinc/48/15/86/1078481586.db2.gz GUHQTSQYOGJFPV-RBUKOAKNSA-N 1 1 423.602 0.674 20 0 HCADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174031 1078481832 /nfs/dbraw/zinc/48/18/32/1078481832.db2.gz GUHQTSQYOGJFPV-RTBURBONSA-N 1 1 423.602 0.674 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556174070 1078481690 /nfs/dbraw/zinc/48/16/90/1078481690.db2.gz HUBSRTCCKWLJPQ-INIZCTEOSA-N 1 1 402.561 0.109 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174071 1078481452 /nfs/dbraw/zinc/48/14/52/1078481452.db2.gz HUBSRTCCKWLJPQ-MRXNPFEDSA-N 1 1 402.561 0.109 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000556174275 1078483292 /nfs/dbraw/zinc/48/32/92/1078483292.db2.gz JEDIXDHJGIQWCP-MSOLQXFVSA-N 1 1 409.575 0.426 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000556174276 1078483253 /nfs/dbraw/zinc/48/32/53/1078483253.db2.gz JEDIXDHJGIQWCP-QZTJIDSGSA-N 1 1 409.575 0.426 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000556174277 1078483317 /nfs/dbraw/zinc/48/33/17/1078483317.db2.gz JEDIXDHJGIQWCP-ROUUACIJSA-N 1 1 409.575 0.426 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000556174279 1078483373 /nfs/dbraw/zinc/48/33/73/1078483373.db2.gz JEDIXDHJGIQWCP-ZWKOTPCHSA-N 1 1 409.575 0.426 20 0 HCADMO COCCN1CCCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC000556174349 1078483239 /nfs/dbraw/zinc/48/32/39/1078483239.db2.gz KNWJTNUDIMUILT-HDICACEKSA-N 1 1 410.559 0.568 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000556174506 1078483339 /nfs/dbraw/zinc/48/33/39/1078483339.db2.gz MOWCIOZFLVYWNX-HDICACEKSA-N 1 1 423.602 0.530 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3cnccc3C)CC2)CC1 ZINC000556174722 1078482200 /nfs/dbraw/zinc/48/22/00/1078482200.db2.gz JNRBEKDDGJKRFX-UHFFFAOYSA-N 1 1 416.570 0.573 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000556174726 1078482386 /nfs/dbraw/zinc/48/23/86/1078482386.db2.gz PHLFIOAYPMUYPM-GOSISDBHSA-N 1 1 419.574 0.039 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000556174727 1078483361 /nfs/dbraw/zinc/48/33/61/1078483361.db2.gz PHLFIOAYPMUYPM-SFHVURJKSA-N 1 1 419.574 0.039 20 0 HCADMO COCCC(=O)N1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000556174848 1078482095 /nfs/dbraw/zinc/48/20/95/1078482095.db2.gz HRNNMEZOCSDERT-KRWDZBQOSA-N 1 1 410.559 0.758 20 0 HCADMO COCCC(=O)N1CCC(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000556174849 1078482263 /nfs/dbraw/zinc/48/22/63/1078482263.db2.gz HRNNMEZOCSDERT-QGZVFWFLSA-N 1 1 410.559 0.758 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C)c3ccccc3C2)CC1 ZINC000556174850 1078482288 /nfs/dbraw/zinc/48/22/88/1078482288.db2.gz HRQTUHMLJFVVFC-UHFFFAOYSA-N 1 1 401.555 0.999 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000556174896 1078482418 /nfs/dbraw/zinc/48/24/18/1078482418.db2.gz QVFSPNMBFZNVJT-IBGZPJMESA-N 1 1 406.502 0.869 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000556174897 1078482120 /nfs/dbraw/zinc/48/21/20/1078482120.db2.gz QVFSPNMBFZNVJT-LJQANCHMSA-N 1 1 406.502 0.869 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000556174916 1078482342 /nfs/dbraw/zinc/48/23/42/1078482342.db2.gz RJPVROZDYGUSCI-UHFFFAOYSA-N 1 1 412.600 0.645 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556175143 1078484675 /nfs/dbraw/zinc/48/46/75/1078484675.db2.gz KNMOQRYNSGZZMY-CVEARBPZSA-N 1 1 402.561 0.155 20 0 HCADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000556175144 1078484752 /nfs/dbraw/zinc/48/47/52/1078484752.db2.gz KNMOQRYNSGZZMY-HOTGVXAUSA-N 1 1 402.561 0.155 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000556175145 1078484420 /nfs/dbraw/zinc/48/44/20/1078484420.db2.gz KNMOQRYNSGZZMY-HZPDHXFCSA-N 1 1 402.561 0.155 20 0 HCADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000556175146 1078484522 /nfs/dbraw/zinc/48/45/22/1078484522.db2.gz KNMOQRYNSGZZMY-JKSUJKDBSA-N 1 1 402.561 0.155 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)CC1 ZINC000556175505 1078484078 /nfs/dbraw/zinc/48/40/78/1078484078.db2.gz XFNPADMOBUIFHB-UHFFFAOYSA-N 1 1 421.508 0.617 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000556175570 1078483987 /nfs/dbraw/zinc/48/39/87/1078483987.db2.gz ZBRKZMIVUFRDPO-MSOLQXFVSA-N 1 1 408.543 0.465 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000556175571 1078484189 /nfs/dbraw/zinc/48/41/89/1078484189.db2.gz ZBRKZMIVUFRDPO-QZTJIDSGSA-N 1 1 408.543 0.465 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000556175572 1078484466 /nfs/dbraw/zinc/48/44/66/1078484466.db2.gz ZBRKZMIVUFRDPO-ROUUACIJSA-N 1 1 408.543 0.465 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000556175573 1078484700 /nfs/dbraw/zinc/48/47/00/1078484700.db2.gz ZBRKZMIVUFRDPO-ZWKOTPCHSA-N 1 1 408.543 0.465 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000556175739 1078484090 /nfs/dbraw/zinc/48/40/90/1078484090.db2.gz WHPGMKGKVILWRD-INIZCTEOSA-N 1 1 406.575 0.618 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CC1 ZINC000556175742 1078483790 /nfs/dbraw/zinc/48/37/90/1078483790.db2.gz WHPGMKGKVILWRD-MRXNPFEDSA-N 1 1 406.575 0.618 20 0 HCADMO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000556176016 1078483203 /nfs/dbraw/zinc/48/32/03/1078483203.db2.gz RSOJDYSQOORSEK-MSOLQXFVSA-N 1 1 410.559 0.711 20 0 HCADMO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000556176017 1078484157 /nfs/dbraw/zinc/48/41/57/1078484157.db2.gz RSOJDYSQOORSEK-QZTJIDSGSA-N 1 1 410.559 0.711 20 0 HCADMO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000556176018 1078483834 /nfs/dbraw/zinc/48/38/34/1078483834.db2.gz RSOJDYSQOORSEK-ROUUACIJSA-N 1 1 410.559 0.711 20 0 HCADMO COC(=O)CCN1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000556176019 1078484115 /nfs/dbraw/zinc/48/41/15/1078484115.db2.gz RSOJDYSQOORSEK-ZWKOTPCHSA-N 1 1 410.559 0.711 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000556176021 1078484102 /nfs/dbraw/zinc/48/41/02/1078484102.db2.gz RUXKVPIFGQLBDH-KRWDZBQOSA-N 1 1 420.558 0.516 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 ZINC000556176022 1078484214 /nfs/dbraw/zinc/48/42/14/1078484214.db2.gz RUXKVPIFGQLBDH-QGZVFWFLSA-N 1 1 420.558 0.516 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC000556176118 1078483265 /nfs/dbraw/zinc/48/32/65/1078483265.db2.gz SEWVZDDFQDJVMF-GOSISDBHSA-N 1 1 409.575 0.236 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC000556176119 1078483367 /nfs/dbraw/zinc/48/33/67/1078483367.db2.gz SEWVZDDFQDJVMF-SFHVURJKSA-N 1 1 409.575 0.236 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000556176157 1078484597 /nfs/dbraw/zinc/48/45/97/1078484597.db2.gz SXXVZGYJEJRYQN-MOPGFXCFSA-N 1 1 404.559 0.827 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000556176160 1078484512 /nfs/dbraw/zinc/48/45/12/1078484512.db2.gz SXXVZGYJEJRYQN-OALUTQOASA-N 1 1 404.559 0.827 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000556176161 1078484813 /nfs/dbraw/zinc/48/48/13/1078484813.db2.gz SXXVZGYJEJRYQN-RBUKOAKNSA-N 1 1 404.559 0.827 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000556176164 1078484494 /nfs/dbraw/zinc/48/44/94/1078484494.db2.gz SXXVZGYJEJRYQN-RTBURBONSA-N 1 1 404.559 0.827 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000556176533 1078485303 /nfs/dbraw/zinc/48/53/03/1078485303.db2.gz ZKEKUZJGCXLBSI-GOSISDBHSA-N 1 1 415.538 0.994 20 0 HCADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000556176534 1078485231 /nfs/dbraw/zinc/48/52/31/1078485231.db2.gz ZKEKUZJGCXLBSI-SFHVURJKSA-N 1 1 415.538 0.994 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000556177177 1078485348 /nfs/dbraw/zinc/48/53/48/1078485348.db2.gz KBWMQYVOVRQRIS-MSOLQXFVSA-N 1 1 422.570 0.947 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000556177178 1078485405 /nfs/dbraw/zinc/48/54/05/1078485405.db2.gz KBWMQYVOVRQRIS-QZTJIDSGSA-N 1 1 422.570 0.947 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000556177179 1078485955 /nfs/dbraw/zinc/48/59/55/1078485955.db2.gz KBWMQYVOVRQRIS-ROUUACIJSA-N 1 1 422.570 0.947 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000556177180 1078486026 /nfs/dbraw/zinc/48/60/26/1078486026.db2.gz KBWMQYVOVRQRIS-ZWKOTPCHSA-N 1 1 422.570 0.947 20 0 HCADMO O=C(NCc1cccc(N2CCCC2=O)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556180739 1078476337 /nfs/dbraw/zinc/47/63/37/1078476337.db2.gz MXUIGJXEZWHJOS-UHFFFAOYSA-N 1 1 414.506 0.753 20 0 HCADMO C[NH+](C)CCn1ccc(=NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)[nH]1 ZINC000556181486 1078502108 /nfs/dbraw/zinc/50/21/08/1078502108.db2.gz VKAIOTDSKVXMMQ-UHFFFAOYSA-N 1 1 401.858 0.705 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(SC)c2)CC1 ZINC000556181661 1078476252 /nfs/dbraw/zinc/47/62/52/1078476252.db2.gz GEHFNBIIWHJIQF-UHFFFAOYSA-N 1 1 407.540 0.527 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000556181987 1078477564 /nfs/dbraw/zinc/47/75/64/1078477564.db2.gz FUZGOBYXQRAERP-UHFFFAOYSA-N 1 1 417.510 0.238 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000556182606 1078502750 /nfs/dbraw/zinc/50/27/50/1078502750.db2.gz QNMGKOWJUPEBDU-INIZCTEOSA-N 1 1 404.515 0.570 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000556182607 1078502564 /nfs/dbraw/zinc/50/25/64/1078502564.db2.gz QNMGKOWJUPEBDU-MRXNPFEDSA-N 1 1 404.515 0.570 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(OCC)c(F)c2)CC1 ZINC000556182627 1078502705 /nfs/dbraw/zinc/50/27/05/1078502705.db2.gz RRDJALAGMYLMGU-UHFFFAOYSA-N 1 1 422.501 0.947 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000556185166 1078487897 /nfs/dbraw/zinc/48/78/97/1078487897.db2.gz AOWYVAKYUJZLCO-KRWDZBQOSA-N 1 1 419.526 0.249 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000556185170 1078487947 /nfs/dbraw/zinc/48/79/47/1078487947.db2.gz AOWYVAKYUJZLCO-QGZVFWFLSA-N 1 1 419.526 0.249 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000556185510 1078488616 /nfs/dbraw/zinc/48/86/16/1078488616.db2.gz KXXGUGIIIKGJOW-KRWDZBQOSA-N 1 1 418.542 0.797 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000556185513 1078488685 /nfs/dbraw/zinc/48/86/85/1078488685.db2.gz KXXGUGIIIKGJOW-QGZVFWFLSA-N 1 1 418.542 0.797 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccc(C)cc2)CC1 ZINC000556185608 1078488825 /nfs/dbraw/zinc/48/88/25/1078488825.db2.gz LGGCQZAYLUFVCQ-UHFFFAOYSA-N 1 1 418.538 0.423 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000556185695 1078488763 /nfs/dbraw/zinc/48/87/63/1078488763.db2.gz MJTKYUNXRYZHEG-UHFFFAOYSA-N 1 1 401.511 0.679 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCc2nc3c(s2)CCCC3)CC1 ZINC000556186284 1078491764 /nfs/dbraw/zinc/49/17/64/1078491764.db2.gz ASQZFCBWHWQCTA-UHFFFAOYSA-N 1 1 421.567 0.397 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186285 1078492696 /nfs/dbraw/zinc/49/26/96/1078492696.db2.gz ASSCPEVTTWLWNL-FGTMMUONSA-N 1 1 423.602 0.576 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556186286 1078492369 /nfs/dbraw/zinc/49/23/69/1078492369.db2.gz ASSCPEVTTWLWNL-KSZLIROESA-N 1 1 423.602 0.576 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OC2CCCC2)CC1 ZINC000556186299 1078492898 /nfs/dbraw/zinc/49/28/98/1078492898.db2.gz AYQBQNCYOKMDDK-UHFFFAOYSA-N 1 1 417.510 0.346 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000556186304 1078493045 /nfs/dbraw/zinc/49/30/45/1078493045.db2.gz BDDWAZBTEVDVTD-KRWDZBQOSA-N 1 1 401.511 0.098 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000556186305 1078492535 /nfs/dbraw/zinc/49/25/35/1078492535.db2.gz BDDWAZBTEVDVTD-QGZVFWFLSA-N 1 1 401.511 0.098 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000556186376 1078492454 /nfs/dbraw/zinc/49/24/54/1078492454.db2.gz CLCBBEXYNGWAOB-UHFFFAOYSA-N 1 1 409.556 0.990 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000556186451 1078491617 /nfs/dbraw/zinc/49/16/17/1078491617.db2.gz WEIKZKMELOHMHJ-INIZCTEOSA-N 1 1 408.543 0.511 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000556186452 1078491452 /nfs/dbraw/zinc/49/14/52/1078491452.db2.gz WEIKZKMELOHMHJ-MRXNPFEDSA-N 1 1 408.543 0.511 20 0 HCADMO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000556186490 1078491328 /nfs/dbraw/zinc/49/13/28/1078491328.db2.gz FEVQGNWOMJPALV-KRWDZBQOSA-N 1 1 417.554 0.340 20 0 HCADMO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000556186491 1078491858 /nfs/dbraw/zinc/49/18/58/1078491858.db2.gz FEVQGNWOMJPALV-QGZVFWFLSA-N 1 1 417.554 0.340 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000556186495 1078491905 /nfs/dbraw/zinc/49/19/05/1078491905.db2.gz FIAWUIFJVAXRQM-KRWDZBQOSA-N 1 1 415.519 0.675 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2nccs2)c2ccccc2)CC1 ZINC000556186500 1078491644 /nfs/dbraw/zinc/49/16/44/1078491644.db2.gz FIAWUIFJVAXRQM-QGZVFWFLSA-N 1 1 415.519 0.675 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCc2cccn2C)CC1 ZINC000556186635 1078491303 /nfs/dbraw/zinc/49/13/03/1078491303.db2.gz FKSDOEBSTPWJJD-INIZCTEOSA-N 1 1 405.543 0.569 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCc2cccn2C)CC1 ZINC000556186636 1078491546 /nfs/dbraw/zinc/49/15/46/1078491546.db2.gz FKSDOEBSTPWJJD-MRXNPFEDSA-N 1 1 405.543 0.569 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2c(F)cccc2F)C2CC2)CC1 ZINC000556186646 1078491680 /nfs/dbraw/zinc/49/16/80/1078491680.db2.gz FSXGCXBYLSOYFF-UHFFFAOYSA-N 1 1 408.449 0.782 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000556186679 1078491586 /nfs/dbraw/zinc/49/15/86/1078491586.db2.gz HHWRGJJPBFUPDP-UHFFFAOYSA-N 1 1 416.522 0.951 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000556186776 1078490845 /nfs/dbraw/zinc/49/08/45/1078490845.db2.gz KOVSSYWXFQUQKM-UHFFFAOYSA-N 1 1 400.401 0.648 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCCc2ccc(F)c(F)c2)CC1 ZINC000556186781 1078490751 /nfs/dbraw/zinc/49/07/51/1078490751.db2.gz KQMJWQLGDUKGQP-UHFFFAOYSA-N 1 1 410.465 0.730 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 ZINC000556186794 1078490524 /nfs/dbraw/zinc/49/05/24/1078490524.db2.gz LBLCTXZFCIDHAA-UHFFFAOYSA-N 1 1 416.526 0.015 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000556186795 1078490874 /nfs/dbraw/zinc/49/08/74/1078490874.db2.gz LIJQRCWQVJIKRW-CYBMUJFWSA-N 1 1 406.531 0.450 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000556186796 1078490693 /nfs/dbraw/zinc/49/06/93/1078490693.db2.gz LIJQRCWQVJIKRW-ZDUSSCGKSA-N 1 1 406.531 0.450 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000556186820 1078490402 /nfs/dbraw/zinc/49/04/02/1078490402.db2.gz MJLGFVVECIASCX-CRAIPNDOSA-N 1 1 416.522 0.774 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1 ZINC000556186821 1078490646 /nfs/dbraw/zinc/49/06/46/1078490646.db2.gz MJLGFVVECIASCX-MAUKXSAKSA-N 1 1 416.522 0.774 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000556186822 1078490913 /nfs/dbraw/zinc/49/09/13/1078490913.db2.gz MJLGFVVECIASCX-QAPCUYQASA-N 1 1 416.522 0.774 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000556186823 1078490581 /nfs/dbraw/zinc/49/05/81/1078490581.db2.gz MJLGFVVECIASCX-YJBOKZPZSA-N 1 1 416.522 0.774 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000556186837 1078491415 /nfs/dbraw/zinc/49/14/15/1078491415.db2.gz MXPDCTUIYCWJNP-JOCHJYFZSA-N 1 1 400.523 0.893 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000556186838 1078491921 /nfs/dbraw/zinc/49/19/21/1078491921.db2.gz MXPDCTUIYCWJNP-QFIPXVFZSA-N 1 1 400.523 0.893 20 0 HCADMO CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186857 1078489615 /nfs/dbraw/zinc/48/96/15/1078489615.db2.gz NNENUZLDSJYEPI-JOCHJYFZSA-N 1 1 418.538 0.503 20 0 HCADMO CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556186858 1078489771 /nfs/dbraw/zinc/48/97/71/1078489771.db2.gz NNENUZLDSJYEPI-QFIPXVFZSA-N 1 1 418.538 0.503 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000556186859 1078489458 /nfs/dbraw/zinc/48/94/58/1078489458.db2.gz NOCPSKMOBCPMAO-CGTJXYLNSA-N 1 1 406.527 0.167 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000556186860 1078489696 /nfs/dbraw/zinc/48/96/96/1078489696.db2.gz NOCPSKMOBCPMAO-JQHSSLGASA-N 1 1 406.527 0.167 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000556186861 1078489436 /nfs/dbraw/zinc/48/94/36/1078489436.db2.gz NOCPSKMOBCPMAO-KBAYOESNSA-N 1 1 406.527 0.167 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000556186862 1078489575 /nfs/dbraw/zinc/48/95/75/1078489575.db2.gz NOCPSKMOBCPMAO-NXHRZFHOSA-N 1 1 406.527 0.167 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000556186864 1078489876 /nfs/dbraw/zinc/48/98/76/1078489876.db2.gz NQTAXKDJAPPXPL-UHFFFAOYSA-N 1 1 400.523 0.794 20 0 HCADMO CCCCOc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000556186872 1078489412 /nfs/dbraw/zinc/48/94/12/1078489412.db2.gz NUBLUKWVADMWPF-UHFFFAOYSA-N 1 1 404.511 0.808 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000556186880 1078490613 /nfs/dbraw/zinc/49/06/13/1078490613.db2.gz OCMLPVRGWONIMA-INIZCTEOSA-N 1 1 410.902 0.470 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000556186881 1078490365 /nfs/dbraw/zinc/49/03/65/1078490365.db2.gz OCMLPVRGWONIMA-MRXNPFEDSA-N 1 1 410.902 0.470 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)Oc1ccccc1F ZINC000556186903 1078490790 /nfs/dbraw/zinc/49/07/90/1078490790.db2.gz PHZGTIIAGKONNL-HNNXBMFYSA-N 1 1 408.474 0.426 20 0 HCADMO CC[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)Oc1ccccc1F ZINC000556186904 1078490927 /nfs/dbraw/zinc/49/09/27/1078490927.db2.gz PHZGTIIAGKONNL-OAHLLOKOSA-N 1 1 408.474 0.426 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000556186905 1078490479 /nfs/dbraw/zinc/49/04/79/1078490479.db2.gz PJGAJXPHTFBURC-UHFFFAOYSA-N 1 1 416.400 0.528 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000556187058 1078489863 /nfs/dbraw/zinc/48/98/63/1078489863.db2.gz RYPJCNFDHIPRCV-HKUYNNGSSA-N 1 1 420.485 0.489 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000556187059 1078489637 /nfs/dbraw/zinc/48/96/37/1078489637.db2.gz RYPJCNFDHIPRCV-IEBWSBKVSA-N 1 1 420.485 0.489 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000556187060 1078489847 /nfs/dbraw/zinc/48/98/47/1078489847.db2.gz RYPJCNFDHIPRCV-MJGOQNOKSA-N 1 1 420.485 0.489 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000556187062 1078489535 /nfs/dbraw/zinc/48/95/35/1078489535.db2.gz RYPJCNFDHIPRCV-PKOBYXMFSA-N 1 1 420.485 0.489 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000556187077 1078489806 /nfs/dbraw/zinc/48/98/06/1078489806.db2.gz SKLMZBSBSRTPBR-UHFFFAOYSA-N 1 1 401.294 0.936 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)CC1 ZINC000556187118 1078489510 /nfs/dbraw/zinc/48/95/10/1078489510.db2.gz SXRJKHVOZBQPHF-GOSISDBHSA-N 1 1 420.485 0.361 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)CC1 ZINC000556187121 1078489656 /nfs/dbraw/zinc/48/96/56/1078489656.db2.gz SXRJKHVOZBQPHF-SFHVURJKSA-N 1 1 420.485 0.361 20 0 HCADMO CC[C@H](C)Oc1cc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)ccn1 ZINC000556187170 1078496879 /nfs/dbraw/zinc/49/68/79/1078496879.db2.gz UOTHKKUBRNNYRC-AWEZNQCLSA-N 1 1 405.499 0.202 20 0 HCADMO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)ccn1 ZINC000556187176 1078496467 /nfs/dbraw/zinc/49/64/67/1078496467.db2.gz UOTHKKUBRNNYRC-CQSZACIVSA-N 1 1 405.499 0.202 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccnc2)C2CC2)CC1 ZINC000556187237 1078496617 /nfs/dbraw/zinc/49/66/17/1078496617.db2.gz VSORXTFYKAGOJK-UHFFFAOYSA-N 1 1 401.511 0.679 20 0 HCADMO CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000556187243 1078496829 /nfs/dbraw/zinc/49/68/29/1078496829.db2.gz VWRZXZRAAOCVMT-UHFFFAOYSA-N 1 1 417.554 0.470 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2cccnc2)C2CC2)CC1 ZINC000556187246 1078496941 /nfs/dbraw/zinc/49/69/41/1078496941.db2.gz VWSYEVNEUKZBSY-IBGZPJMESA-N 1 1 401.511 0.756 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2cccnc2)C2CC2)CC1 ZINC000556187263 1078497006 /nfs/dbraw/zinc/49/70/06/1078497006.db2.gz VWSYEVNEUKZBSY-LJQANCHMSA-N 1 1 401.511 0.756 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)cc2OC)CC1 ZINC000556187298 1078495929 /nfs/dbraw/zinc/49/59/29/1078495929.db2.gz WHFAOBHTQMEEFQ-UHFFFAOYSA-N 1 1 404.511 0.727 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000556187310 1078495549 /nfs/dbraw/zinc/49/55/49/1078495549.db2.gz WPFQOQBDPRRVMX-UHFFFAOYSA-N 1 1 424.505 0.505 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2oc3ccccc3c2OC)CC1 ZINC000556187379 1078496965 /nfs/dbraw/zinc/49/69/65/1078496965.db2.gz XSTUJNBEFYPTPK-UHFFFAOYSA-N 1 1 402.451 0.384 20 0 HCADMO CCOc1ccccc1[C@H](CC)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556187395 1078496664 /nfs/dbraw/zinc/49/66/64/1078496664.db2.gz XZOFKSUQNDAPFH-KRWDZBQOSA-N 1 1 404.511 0.979 20 0 HCADMO CCOc1ccccc1[C@@H](CC)NC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556187396 1078496505 /nfs/dbraw/zinc/49/65/05/1078496505.db2.gz XZOFKSUQNDAPFH-QGZVFWFLSA-N 1 1 404.511 0.979 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000556187398 1078496800 /nfs/dbraw/zinc/49/68/00/1078496800.db2.gz YDHGNFQDRFIIQR-UHFFFAOYSA-N 1 1 401.511 0.098 20 0 HCADMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)c1 ZINC000556187410 1078496540 /nfs/dbraw/zinc/49/65/40/1078496540.db2.gz YRCMPZHVJRBXBK-UHFFFAOYSA-N 1 1 403.527 0.081 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(CC(=O)OCC)CC2)CC1 ZINC000556187416 1078496917 /nfs/dbraw/zinc/49/69/17/1078496917.db2.gz YWVDDHZHEGVZLX-UHFFFAOYSA-N 1 1 424.542 0.285 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000556187420 1078496985 /nfs/dbraw/zinc/49/69/85/1078496985.db2.gz ZNTSIEMGUKJGLU-UHFFFAOYSA-N 1 1 415.538 0.279 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 ZINC000556187421 1078496762 /nfs/dbraw/zinc/49/67/62/1078496762.db2.gz ZNWKAKRIZZBGKF-UHFFFAOYSA-N 1 1 420.901 0.170 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCOC2CCCCCC2)CC1 ZINC000556187454 1078495520 /nfs/dbraw/zinc/49/55/20/1078495520.db2.gz AUFRDWOFHLCLRQ-UHFFFAOYSA-N 1 1 410.559 0.949 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000556187466 1078495481 /nfs/dbraw/zinc/49/54/81/1078495481.db2.gz BTDHCZMTIXROCQ-BEFAXECRSA-N 1 1 416.522 0.931 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000556187467 1078495880 /nfs/dbraw/zinc/49/58/80/1078495880.db2.gz BTDHCZMTIXROCQ-DNVCBOLYSA-N 1 1 416.522 0.931 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000556187468 1078495768 /nfs/dbraw/zinc/49/57/68/1078495768.db2.gz BTDHCZMTIXROCQ-HNAYVOBHSA-N 1 1 416.522 0.931 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000556187469 1078495920 /nfs/dbraw/zinc/49/59/20/1078495920.db2.gz BTDHCZMTIXROCQ-KXBFYZLASA-N 1 1 416.522 0.931 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000556187486 1078495722 /nfs/dbraw/zinc/49/57/22/1078495722.db2.gz CPBIMIAQMMMBTB-GOSISDBHSA-N 1 1 421.586 0.284 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000556187487 1078495897 /nfs/dbraw/zinc/49/58/97/1078495897.db2.gz CPBIMIAQMMMBTB-SFHVURJKSA-N 1 1 421.586 0.284 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000556187507 1078495943 /nfs/dbraw/zinc/49/59/43/1078495943.db2.gz CZMDMSHFHOJJGN-HNNXBMFYSA-N 1 1 408.499 0.805 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000556187508 1078495623 /nfs/dbraw/zinc/49/56/23/1078495623.db2.gz CZMDMSHFHOJJGN-OAHLLOKOSA-N 1 1 408.499 0.805 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC000556187527 1078495704 /nfs/dbraw/zinc/49/57/04/1078495704.db2.gz FBBBKOPDXAWFDK-JOCHJYFZSA-N 1 1 400.523 0.812 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC000556187528 1078495796 /nfs/dbraw/zinc/49/57/96/1078495796.db2.gz FBBBKOPDXAWFDK-QFIPXVFZSA-N 1 1 400.523 0.812 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000556187581 1078494654 /nfs/dbraw/zinc/49/46/54/1078494654.db2.gz HFFOFKSKKDTKLX-UHFFFAOYSA-N 1 1 412.437 0.273 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000556187619 1078494806 /nfs/dbraw/zinc/49/48/06/1078494806.db2.gz IKYLEDBVKXSKAG-GFCCVEGCSA-N 1 1 424.473 0.347 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000556187620 1078494400 /nfs/dbraw/zinc/49/44/00/1078494400.db2.gz IKYLEDBVKXSKAG-LBPRGKRZSA-N 1 1 424.473 0.347 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000556187638 1078494863 /nfs/dbraw/zinc/49/48/63/1078494863.db2.gz IZPWJJONRPNJTK-UHFFFAOYSA-N 1 1 404.511 0.459 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000556187689 1078494977 /nfs/dbraw/zinc/49/49/77/1078494977.db2.gz LRZQMKFPXWQMNW-INIZCTEOSA-N 1 1 422.551 0.582 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000556187690 1078494996 /nfs/dbraw/zinc/49/49/96/1078494996.db2.gz LRZQMKFPXWQMNW-MRXNPFEDSA-N 1 1 422.551 0.582 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2sc(C)nc2C)CC1 ZINC000556187693 1078494898 /nfs/dbraw/zinc/49/48/98/1078494898.db2.gz MAVBXQBEZNHSRL-UHFFFAOYSA-N 1 1 409.556 0.525 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CSc2ccc(C)cc2)CC1 ZINC000556187723 1078493568 /nfs/dbraw/zinc/49/35/68/1078493568.db2.gz NQPOKTOGGKFFIE-HNNXBMFYSA-N 1 1 406.552 0.918 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CSc2ccc(C)cc2)CC1 ZINC000556187724 1078493402 /nfs/dbraw/zinc/49/34/02/1078493402.db2.gz NQPOKTOGGKFFIE-OAHLLOKOSA-N 1 1 406.552 0.918 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000556187725 1078493839 /nfs/dbraw/zinc/49/38/39/1078493839.db2.gz NSLDCGQDEHDMQE-UHFFFAOYSA-N 1 1 404.515 0.223 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2OCC(C)C)CC1 ZINC000556187751 1078494008 /nfs/dbraw/zinc/49/40/08/1078494008.db2.gz OKGOELRMMLUMSK-UHFFFAOYSA-N 1 1 404.511 0.664 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2c2ccccc2OC)CC1 ZINC000556187784 1078494954 /nfs/dbraw/zinc/49/49/54/1078494954.db2.gz PIRFZHIBLUSQOX-KRWDZBQOSA-N 1 1 402.495 0.685 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2c2ccccc2OC)CC1 ZINC000556187785 1078494698 /nfs/dbraw/zinc/49/46/98/1078494698.db2.gz PIRFZHIBLUSQOX-QGZVFWFLSA-N 1 1 402.495 0.685 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OCCC)CC2)CC1 ZINC000556187792 1078494526 /nfs/dbraw/zinc/49/45/26/1078494526.db2.gz PUXHZNALPXKZRL-GOSISDBHSA-N 1 1 410.559 0.901 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OCCC)CC2)CC1 ZINC000556187793 1078494787 /nfs/dbraw/zinc/49/47/87/1078494787.db2.gz PUXHZNALPXKZRL-SFHVURJKSA-N 1 1 410.559 0.901 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C)(c3ccccc3)CC2)CC1 ZINC000556187800 1078494611 /nfs/dbraw/zinc/49/46/11/1078494611.db2.gz QEIRLMNGTIGETR-UHFFFAOYSA-N 1 1 400.523 0.893 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2nccn2CC(C)C)CC1 ZINC000556187803 1078494447 /nfs/dbraw/zinc/49/44/47/1078494447.db2.gz QNFSXLCTJZUBDO-UHFFFAOYSA-N 1 1 406.531 0.262 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC3CCCCC3)CC2)CC1 ZINC000556187813 1078494575 /nfs/dbraw/zinc/49/45/75/1078494575.db2.gz QWRWZCQYYCRAGZ-UHFFFAOYSA-N 1 1 422.570 0.901 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000556187852 1078494480 /nfs/dbraw/zinc/49/44/80/1078494480.db2.gz SSHHUQFWOLABES-KRWDZBQOSA-N 1 1 406.458 0.052 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000556187853 1078494767 /nfs/dbraw/zinc/49/47/67/1078494767.db2.gz SSHHUQFWOLABES-QGZVFWFLSA-N 1 1 406.458 0.052 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000556187944 1078492425 /nfs/dbraw/zinc/49/24/25/1078492425.db2.gz VABJNMPKYPNBME-CRAIPNDOSA-N 1 1 404.486 0.905 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000556187946 1078493642 /nfs/dbraw/zinc/49/36/42/1078493642.db2.gz VABJNMPKYPNBME-MAUKXSAKSA-N 1 1 404.486 0.905 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000556187947 1078493970 /nfs/dbraw/zinc/49/39/70/1078493970.db2.gz VABJNMPKYPNBME-QAPCUYQASA-N 1 1 404.486 0.905 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000556187948 1078493435 /nfs/dbraw/zinc/49/34/35/1078493435.db2.gz VABJNMPKYPNBME-YJBOKZPZSA-N 1 1 404.486 0.905 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](COCC(C)C)c2ccco2)CC1 ZINC000556187949 1078493883 /nfs/dbraw/zinc/49/38/83/1078493883.db2.gz VAXYQKOVXGIHTR-INIZCTEOSA-N 1 1 408.499 0.436 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](COCC(C)C)c2ccco2)CC1 ZINC000556187951 1078493489 /nfs/dbraw/zinc/49/34/89/1078493489.db2.gz VAXYQKOVXGIHTR-MRXNPFEDSA-N 1 1 408.499 0.436 20 0 HCADMO CCCOc1cccc(CCNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000556187957 1078493751 /nfs/dbraw/zinc/49/37/51/1078493751.db2.gz BREOIGYYGLDIBA-UHFFFAOYSA-N 1 1 404.511 0.461 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2csc(C(C)(C)C)n2)CC1 ZINC000556188019 1078492822 /nfs/dbraw/zinc/49/28/22/1078492822.db2.gz FDMNHEYCNUDACY-UHFFFAOYSA-N 1 1 409.556 0.426 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)c(COC)c2)CC1 ZINC000556188020 1078492989 /nfs/dbraw/zinc/49/29/89/1078492989.db2.gz FGLXYPIIFHMJNC-UHFFFAOYSA-N 1 1 422.501 0.695 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000556188053 1078492936 /nfs/dbraw/zinc/49/29/36/1078492936.db2.gz XEVNVPOXAVWGRS-UHFFFAOYSA-N 1 1 414.428 0.990 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000556188089 1078492491 /nfs/dbraw/zinc/49/24/91/1078492491.db2.gz ZFKFCIOGJNAFIY-INIZCTEOSA-N 1 1 421.929 0.362 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000556188090 1078492409 /nfs/dbraw/zinc/49/24/09/1078492409.db2.gz ZFKFCIOGJNAFIY-MRXNPFEDSA-N 1 1 421.929 0.362 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C)c(OC)c2)CC1 ZINC000556188098 1078493025 /nfs/dbraw/zinc/49/30/25/1078493025.db2.gz FORZTORSZFODJG-UHFFFAOYSA-N 1 1 404.511 0.727 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000556188121 1078492590 /nfs/dbraw/zinc/49/25/90/1078492590.db2.gz GXZWJQJXKNJVGA-HNNXBMFYSA-N 1 1 424.542 0.283 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000556188122 1078492340 /nfs/dbraw/zinc/49/23/40/1078492340.db2.gz GXZWJQJXKNJVGA-OAHLLOKOSA-N 1 1 424.542 0.283 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccc(F)cc2)CC1 ZINC000556188315 1078497692 /nfs/dbraw/zinc/49/76/92/1078497692.db2.gz POFJYNJTZNFSLO-UHFFFAOYSA-N 1 1 406.502 0.933 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000556188379 1078497674 /nfs/dbraw/zinc/49/76/74/1078497674.db2.gz RZLISKBFRHYAIN-UHFFFAOYSA-N 1 1 409.556 0.426 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000556188445 1078497801 /nfs/dbraw/zinc/49/78/01/1078497801.db2.gz VRHWJGRGOMVMQO-INIZCTEOSA-N 1 1 420.485 0.871 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000556188446 1078497940 /nfs/dbraw/zinc/49/79/40/1078497940.db2.gz VRHWJGRGOMVMQO-MRXNPFEDSA-N 1 1 420.485 0.871 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000556188480 1078497752 /nfs/dbraw/zinc/49/77/52/1078497752.db2.gz WYJADMUEOMCXKE-CYBMUJFWSA-N 1 1 414.466 0.240 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000556188481 1078497546 /nfs/dbraw/zinc/49/75/46/1078497546.db2.gz WYJADMUEOMCXKE-ZDUSSCGKSA-N 1 1 414.466 0.240 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(F)cc2CSC)CC1 ZINC000556188488 1078497639 /nfs/dbraw/zinc/49/76/39/1078497639.db2.gz XCCJXFJZMYYXRH-UHFFFAOYSA-N 1 1 410.515 0.632 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C)c(OC)c2)CC1 ZINC000556189117 1078496775 /nfs/dbraw/zinc/49/67/75/1078496775.db2.gz CRMICUNGZVMPNF-UHFFFAOYSA-N 1 1 418.538 0.769 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556189155 1078498839 /nfs/dbraw/zinc/49/88/39/1078498839.db2.gz DMWJEOAQRGVLDA-AEFFLSMTSA-N 1 1 409.575 0.282 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556189157 1078498354 /nfs/dbraw/zinc/49/83/54/1078498354.db2.gz DMWJEOAQRGVLDA-FUHWJXTLSA-N 1 1 409.575 0.282 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000556189159 1078498501 /nfs/dbraw/zinc/49/85/01/1078498501.db2.gz DMWJEOAQRGVLDA-SJLPKXTDSA-N 1 1 409.575 0.282 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000556189161 1078498452 /nfs/dbraw/zinc/49/84/52/1078498452.db2.gz DMWJEOAQRGVLDA-WMZOPIPTSA-N 1 1 409.575 0.282 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCc2ccccc2OC)CC1 ZINC000556189163 1078498642 /nfs/dbraw/zinc/49/86/42/1078498642.db2.gz DOYIFTGPQCHWHY-UHFFFAOYSA-N 1 1 418.538 0.803 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1 ZINC000556189176 1078498324 /nfs/dbraw/zinc/49/83/24/1078498324.db2.gz DZYDWONBXIGIPR-HNNXBMFYSA-N 1 1 422.501 0.816 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC000556189177 1078498773 /nfs/dbraw/zinc/49/87/73/1078498773.db2.gz DZYDWONBXIGIPR-OAHLLOKOSA-N 1 1 422.501 0.816 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000556189178 1078498534 /nfs/dbraw/zinc/49/85/34/1078498534.db2.gz FDCGHAISBOPGQL-MOPGFXCFSA-N 1 1 421.586 0.567 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc3ncccc3c2)CC1 ZINC000556189342 1078500256 /nfs/dbraw/zinc/50/02/56/1078500256.db2.gz BALBWMFCBDGZOX-UHFFFAOYSA-N 1 1 411.506 0.958 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 ZINC000556189389 1078500392 /nfs/dbraw/zinc/50/03/92/1078500392.db2.gz CHQASDZMSZRDOS-KRWDZBQOSA-N 1 1 418.538 0.985 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 ZINC000556189390 1078500528 /nfs/dbraw/zinc/50/05/28/1078500528.db2.gz CHQASDZMSZRDOS-QGZVFWFLSA-N 1 1 418.538 0.985 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]2(CO)CC(C)C)CC1 ZINC000556189430 1078500554 /nfs/dbraw/zinc/50/05/54/1078500554.db2.gz DSFRBYKFZPUDJL-NRFANRHFSA-N 1 1 410.559 0.493 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]2(CO)CC(C)C)CC1 ZINC000556189431 1078500168 /nfs/dbraw/zinc/50/01/68/1078500168.db2.gz DSFRBYKFZPUDJL-OAQYLSRUSA-N 1 1 410.559 0.493 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000556189454 1078500434 /nfs/dbraw/zinc/50/04/34/1078500434.db2.gz FHKFDWDUGZIULB-GOSISDBHSA-N 1 1 404.486 0.686 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000556189455 1078500189 /nfs/dbraw/zinc/50/01/89/1078500189.db2.gz FHKFDWDUGZIULB-SFHVURJKSA-N 1 1 404.486 0.686 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2nc(C)c(C)s2)CC1 ZINC000556189665 1078500342 /nfs/dbraw/zinc/50/03/42/1078500342.db2.gz HPKFJDCHNZTOEL-UHFFFAOYSA-N 1 1 409.556 0.525 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC000556189682 1078500280 /nfs/dbraw/zinc/50/02/80/1078500280.db2.gz HZWPMKYGYGDKBG-INIZCTEOSA-N 1 1 418.538 0.659 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC000556189684 1078500122 /nfs/dbraw/zinc/50/01/22/1078500122.db2.gz HZWPMKYGYGDKBG-MRXNPFEDSA-N 1 1 418.538 0.659 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000556189909 1078499151 /nfs/dbraw/zinc/49/91/51/1078499151.db2.gz PVLDLBGSLXAEOR-GOSISDBHSA-N 1 1 401.511 0.852 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000556189910 1078499174 /nfs/dbraw/zinc/49/91/74/1078499174.db2.gz PVLDLBGSLXAEOR-SFHVURJKSA-N 1 1 401.511 0.852 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000556189943 1078498423 /nfs/dbraw/zinc/49/84/23/1078498423.db2.gz QWGHRLGXUWSHMM-BHIYHBOVSA-N 1 1 420.554 0.557 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000556189945 1078498797 /nfs/dbraw/zinc/49/87/97/1078498797.db2.gz QWGHRLGXUWSHMM-QRQLOZEOSA-N 1 1 420.554 0.557 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000556189947 1078499573 /nfs/dbraw/zinc/49/95/73/1078499573.db2.gz QWGHRLGXUWSHMM-QXAKKESOSA-N 1 1 420.554 0.557 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000556189948 1078499230 /nfs/dbraw/zinc/49/92/30/1078499230.db2.gz QWGHRLGXUWSHMM-UHOSZYNNSA-N 1 1 420.554 0.557 20 0 HCADMO CC[C@@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556189959 1078499615 /nfs/dbraw/zinc/49/96/15/1078499615.db2.gz RDZSCULDTRTOFO-GOSISDBHSA-N 1 1 404.511 0.113 20 0 HCADMO CC[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000556189961 1078499652 /nfs/dbraw/zinc/49/96/52/1078499652.db2.gz RDZSCULDTRTOFO-SFHVURJKSA-N 1 1 404.511 0.113 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccncc2OC)CC1 ZINC000556189980 1078499339 /nfs/dbraw/zinc/49/93/39/1078499339.db2.gz RSBGSKXQBCNURJ-AWEZNQCLSA-N 1 1 405.499 0.374 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccncc2OC)CC1 ZINC000556189982 1078499406 /nfs/dbraw/zinc/49/94/06/1078499406.db2.gz RSBGSKXQBCNURJ-CQSZACIVSA-N 1 1 405.499 0.374 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OC(C)(C)C)CC2)CC1 ZINC000556190268 1078501795 /nfs/dbraw/zinc/50/17/95/1078501795.db2.gz UWUIUESRHSCEGL-UHFFFAOYSA-N 1 1 410.559 0.899 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC23CCOCC3)CC1 ZINC000556190492 1078501952 /nfs/dbraw/zinc/50/19/52/1078501952.db2.gz RVJCZVXFKWMFRE-KRWDZBQOSA-N 1 1 408.543 0.559 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC23CCOCC3)CC1 ZINC000556190495 1078501984 /nfs/dbraw/zinc/50/19/84/1078501984.db2.gz RVJCZVXFKWMFRE-QGZVFWFLSA-N 1 1 408.543 0.559 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000556190552 1078501316 /nfs/dbraw/zinc/50/13/16/1078501316.db2.gz TXKJVHLMJHUPEC-IBGZPJMESA-N 1 1 400.523 0.937 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000556190553 1078501182 /nfs/dbraw/zinc/50/11/82/1078501182.db2.gz TXKJVHLMJHUPEC-LJQANCHMSA-N 1 1 400.523 0.937 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556190570 1078501265 /nfs/dbraw/zinc/50/12/65/1078501265.db2.gz ULSVCIZCPPVBOQ-GOSISDBHSA-N 1 1 407.559 0.226 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000556190571 1078501000 /nfs/dbraw/zinc/50/10/00/1078501000.db2.gz ULSVCIZCPPVBOQ-SFHVURJKSA-N 1 1 407.559 0.226 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2c(CC)noc2CC)CC1 ZINC000556190744 1078501240 /nfs/dbraw/zinc/50/12/40/1078501240.db2.gz WUKHBVDMHNMCAX-UHFFFAOYSA-N 1 1 407.515 0.522 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000556190800 1078500885 /nfs/dbraw/zinc/50/08/85/1078500885.db2.gz YBCUYXKRHPXNPC-UHFFFAOYSA-N 1 1 415.538 0.279 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2(C)CCC(OC)CC2)CC1 ZINC000556190819 1078500846 /nfs/dbraw/zinc/50/08/46/1078500846.db2.gz YFNDMNJLPQLZRJ-UHFFFAOYSA-N 1 1 410.559 0.805 20 0 HCADMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(S(=O)(=O)C4CCOCC4)c3)C[C@H]2C1 ZINC000556191510 1078505522 /nfs/dbraw/zinc/50/55/22/1078505522.db2.gz DPVUCAIUPNONAI-GASCZTMLSA-N 1 1 421.519 0.598 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn2cc[nH+]c12 ZINC000556191536 1078504571 /nfs/dbraw/zinc/50/45/71/1078504571.db2.gz FYCLMWGIXNMSTJ-HNNXBMFYSA-N 1 1 405.480 0.608 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn2cc[nH+]c12 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/nfs/dbraw/zinc/50/68/94/1078506894.db2.gz MULXXPRKXALMDI-GGPKGHCWSA-N 1 1 418.538 0.576 20 0 HCADMO COC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000556194121 1078506770 /nfs/dbraw/zinc/50/67/70/1078506770.db2.gz MULXXPRKXALMDI-HBFSDRIKSA-N 1 1 418.538 0.576 20 0 HCADMO COC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000556194122 1078506661 /nfs/dbraw/zinc/50/66/61/1078506661.db2.gz MULXXPRKXALMDI-NSHGMRRFSA-N 1 1 418.538 0.576 20 0 HCADMO CCN1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000556194150 1078509021 /nfs/dbraw/zinc/50/90/21/1078509021.db2.gz NRMRSEMIBFAPKQ-KRWDZBQOSA-N 1 1 401.511 0.004 20 0 HCADMO CCN1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000556194151 1078508905 /nfs/dbraw/zinc/50/89/05/1078508905.db2.gz NRMRSEMIBFAPKQ-QGZVFWFLSA-N 1 1 401.511 0.004 20 0 HCADMO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000556194169 1078508859 /nfs/dbraw/zinc/50/88/59/1078508859.db2.gz 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HCADMO C[C@@H](CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000556194635 1078508218 /nfs/dbraw/zinc/50/82/18/1078508218.db2.gz XEVRAHRKJQYSFL-OALUTQOASA-N 1 1 412.538 0.962 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC[C@H](C)Cn1cccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556194636 1078508432 /nfs/dbraw/zinc/50/84/32/1078508432.db2.gz XEVRAHRKJQYSFL-RBUKOAKNSA-N 1 1 412.538 0.962 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000556194637 1078508174 /nfs/dbraw/zinc/50/81/74/1078508174.db2.gz XEVRAHRKJQYSFL-RTBURBONSA-N 1 1 412.538 0.962 20 0 HCADMO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000556194869 1078508197 /nfs/dbraw/zinc/50/81/97/1078508197.db2.gz HQSQKKQFHVDZMC-UHFFFAOYSA-N 1 1 410.559 0.445 20 0 HCADMO CCCC(=O)Nc1ccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000556195093 1078507350 /nfs/dbraw/zinc/50/73/50/1078507350.db2.gz OGCLAUSJYHQYFC-UHFFFAOYSA-N 1 1 404.511 0.957 20 0 HCADMO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556195220 1078511028 /nfs/dbraw/zinc/51/10/28/1078511028.db2.gz SVPXXPDTKPAGII-UHFFFAOYSA-N 1 1 423.602 0.672 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556195425 1078510745 /nfs/dbraw/zinc/51/07/45/1078510745.db2.gz ZLLGBFCLIRHFPK-FQEVSTJZSA-N 1 1 401.555 0.723 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556195425 1078510732 /nfs/dbraw/zinc/51/07/32/1078510732.db2.gz ZLLGBFCLIRHFPK-FQEVSTJZSA-N 1 1 401.555 0.723 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556195426 1078511078 /nfs/dbraw/zinc/51/10/78/1078511078.db2.gz ZLLGBFCLIRHFPK-HXUWFJFHSA-N 1 1 401.555 0.723 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000556195426 1078511068 /nfs/dbraw/zinc/51/10/68/1078511068.db2.gz ZLLGBFCLIRHFPK-HXUWFJFHSA-N 1 1 401.555 0.723 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195727 1078509948 /nfs/dbraw/zinc/50/99/48/1078509948.db2.gz HLSDDPRGIKVDBV-AEFFLSMTSA-N 1 1 417.529 0.805 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195728 1078509858 /nfs/dbraw/zinc/50/98/58/1078509858.db2.gz HLSDDPRGIKVDBV-FUHWJXTLSA-N 1 1 417.529 0.805 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195729 1078510015 /nfs/dbraw/zinc/51/00/15/1078510015.db2.gz HLSDDPRGIKVDBV-SJLPKXTDSA-N 1 1 417.529 0.805 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)C[N@H+]1C1CC1 ZINC000556195730 1078510065 /nfs/dbraw/zinc/51/00/65/1078510065.db2.gz HLSDDPRGIKVDBV-WMZOPIPTSA-N 1 1 417.529 0.805 20 0 HCADMO O=C(NCC1CCOCC1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000556196074 1078508983 /nfs/dbraw/zinc/50/89/83/1078508983.db2.gz QCNHBSYGWPADNK-UHFFFAOYSA-N 1 1 404.511 0.675 20 0 HCADMO 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CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197644 1078515199 /nfs/dbraw/zinc/51/51/99/1078515199.db2.gz RHJYTIFJYJKWAM-MOPGFXCFSA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197646 1078514842 /nfs/dbraw/zinc/51/48/42/1078514842.db2.gz RHJYTIFJYJKWAM-OALUTQOASA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197646 1078514829 /nfs/dbraw/zinc/51/48/29/1078514829.db2.gz RHJYTIFJYJKWAM-OALUTQOASA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197648 1078516211 /nfs/dbraw/zinc/51/62/11/1078516211.db2.gz RHJYTIFJYJKWAM-RBUKOAKNSA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000556197648 1078516196 /nfs/dbraw/zinc/51/61/96/1078516196.db2.gz RHJYTIFJYJKWAM-RBUKOAKNSA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197650 1078515679 /nfs/dbraw/zinc/51/56/79/1078515679.db2.gz RHJYTIFJYJKWAM-RTBURBONSA-N 1 1 401.555 0.866 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000556197650 1078515658 /nfs/dbraw/zinc/51/56/58/1078515658.db2.gz RHJYTIFJYJKWAM-RTBURBONSA-N 1 1 401.555 0.866 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556197690 1078514800 /nfs/dbraw/zinc/51/48/00/1078514800.db2.gz RRJSGZHMSOTVBW-DLBZAZTESA-N 1 1 401.511 0.002 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556197692 1078515149 /nfs/dbraw/zinc/51/51/49/1078515149.db2.gz RRJSGZHMSOTVBW-IAGOWNOFSA-N 1 1 401.511 0.002 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556197694 1078514955 /nfs/dbraw/zinc/51/49/55/1078514955.db2.gz RRJSGZHMSOTVBW-IRXDYDNUSA-N 1 1 401.511 0.002 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000556197696 1078515110 /nfs/dbraw/zinc/51/51/10/1078515110.db2.gz RRJSGZHMSOTVBW-SJORKVTESA-N 1 1 401.511 0.002 20 0 HCADMO C[N@@H+](CCN1CCN(C(=O)C(=O)NCC2CCOCC2)CC1)Cc1ccccc1 ZINC000556197848 1078514291 /nfs/dbraw/zinc/51/42/91/1078514291.db2.gz FPDSAJKBTURXCL-UHFFFAOYSA-N 1 1 402.539 0.805 20 0 HCADMO Cc1nnc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000556198419 1078503366 /nfs/dbraw/zinc/50/33/66/1078503366.db2.gz SKVOUTXOUIFXPI-AWEZNQCLSA-N 1 1 402.524 0.790 20 0 HCADMO Cc1nnc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000556198420 1078503275 /nfs/dbraw/zinc/50/32/75/1078503275.db2.gz SKVOUTXOUIFXPI-CQSZACIVSA-N 1 1 402.524 0.790 20 0 HCADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)C1CC1 ZINC000556198536 1078502823 /nfs/dbraw/zinc/50/28/23/1078502823.db2.gz UUMKXWIHPAOFED-GOSISDBHSA-N 1 1 401.555 0.914 20 0 HCADMO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)C1CC1 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402.495 0.297 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCc1ccccc1N1CCOCC1 ZINC000556207994 1078521443 /nfs/dbraw/zinc/52/14/43/1078521443.db2.gz CCSHIJNZDDGUTK-UHFFFAOYSA-N 1 1 417.554 0.235 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000556208140 1078521014 /nfs/dbraw/zinc/52/10/14/1078521014.db2.gz QXPYZKGFNXBNIA-GFCCVEGCSA-N 1 1 404.298 0.753 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)C1 ZINC000556208143 1078520803 /nfs/dbraw/zinc/52/08/03/1078520803.db2.gz QXPYZKGFNXBNIA-LBPRGKRZSA-N 1 1 404.298 0.753 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CCOCC1)C[NH+]1CCOCC1 ZINC000556208491 1078533336 /nfs/dbraw/zinc/53/33/36/1078533336.db2.gz SOLISHPDZPLDIA-KRWDZBQOSA-N 1 1 404.511 0.224 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1N1CCOCC1)C[NH+]1CCOCC1 ZINC000556208494 1078533580 /nfs/dbraw/zinc/53/35/80/1078533580.db2.gz SOLISHPDZPLDIA-QGZVFWFLSA-N 1 1 404.511 0.224 20 0 HCADMO Cc1cc(CNC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)no1 ZINC000556209723 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/nfs/dbraw/zinc/54/69/43/1078546943.db2.gz IDLBFAOFLDOSOX-CVAIRZPRSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556236198 1078546935 /nfs/dbraw/zinc/54/69/35/1078546935.db2.gz IDLBFAOFLDOSOX-CVAIRZPRSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556236199 1078547100 /nfs/dbraw/zinc/54/71/00/1078547100.db2.gz IDLBFAOFLDOSOX-QKYXUNIQSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556236199 1078547096 /nfs/dbraw/zinc/54/70/96/1078547096.db2.gz IDLBFAOFLDOSOX-QKYXUNIQSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556236200 1078547183 /nfs/dbraw/zinc/54/71/83/1078547183.db2.gz IDLBFAOFLDOSOX-QSFXBCCZSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556236200 1078547179 /nfs/dbraw/zinc/54/71/79/1078547179.db2.gz IDLBFAOFLDOSOX-QSFXBCCZSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000556236201 1078547008 /nfs/dbraw/zinc/54/70/08/1078547008.db2.gz IDLBFAOFLDOSOX-ZAAXVRCTSA-N 1 1 411.506 0.789 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000556236201 1078546999 /nfs/dbraw/zinc/54/69/99/1078546999.db2.gz IDLBFAOFLDOSOX-ZAAXVRCTSA-N 1 1 411.506 0.789 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236981 1078547040 /nfs/dbraw/zinc/54/70/40/1078547040.db2.gz QOHYGQZABQLULA-AZUAARDMSA-N 1 1 412.534 0.988 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000556236982 1078546971 /nfs/dbraw/zinc/54/69/71/1078546971.db2.gz QOHYGQZABQLULA-ICSRJNTNSA-N 1 1 412.534 0.988 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236983 1078547068 /nfs/dbraw/zinc/54/70/68/1078547068.db2.gz QOHYGQZABQLULA-QUCCMNQESA-N 1 1 412.534 0.988 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000556236984 1078547110 /nfs/dbraw/zinc/54/71/10/1078547110.db2.gz QOHYGQZABQLULA-UYAOXDASSA-N 1 1 412.534 0.988 20 0 HCADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238136 1078547677 /nfs/dbraw/zinc/54/76/77/1078547677.db2.gz ZODCONPMCIULKX-MOPGFXCFSA-N 1 1 411.506 0.791 20 0 HCADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238141 1078547651 /nfs/dbraw/zinc/54/76/51/1078547651.db2.gz ZODCONPMCIULKX-OALUTQOASA-N 1 1 411.506 0.791 20 0 HCADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556238142 1078547556 /nfs/dbraw/zinc/54/75/56/1078547556.db2.gz ZODCONPMCIULKX-RBUKOAKNSA-N 1 1 411.506 0.791 20 0 HCADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556238143 1078547723 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/nfs/dbraw/zinc/54/93/61/1078549361.db2.gz HDMQZIFNFDZHSZ-AWEZNQCLSA-N 1 1 408.465 0.292 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556239309 1078549369 /nfs/dbraw/zinc/54/93/69/1078549369.db2.gz HDMQZIFNFDZHSZ-CQSZACIVSA-N 1 1 408.465 0.292 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556239917 1078548793 /nfs/dbraw/zinc/54/87/93/1078548793.db2.gz UKACAFZTBYKEPO-AEFFLSMTSA-N 1 1 410.522 0.710 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556239920 1078548637 /nfs/dbraw/zinc/54/86/37/1078548637.db2.gz UKACAFZTBYKEPO-FUHWJXTLSA-N 1 1 410.522 0.710 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000556239923 1078548717 /nfs/dbraw/zinc/54/87/17/1078548717.db2.gz UKACAFZTBYKEPO-SJLPKXTDSA-N 1 1 410.522 0.710 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000556239926 1078548773 /nfs/dbraw/zinc/54/87/73/1078548773.db2.gz UKACAFZTBYKEPO-WMZOPIPTSA-N 1 1 410.522 0.710 20 0 HCADMO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)nc1 ZINC000556240502 1078543602 /nfs/dbraw/zinc/54/36/02/1078543602.db2.gz JUJCPYXASIRUQZ-AWEZNQCLSA-N 1 1 415.494 0.164 20 0 HCADMO CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)nc1 ZINC000556240529 1078546526 /nfs/dbraw/zinc/54/65/26/1078546526.db2.gz JUJCPYXASIRUQZ-CQSZACIVSA-N 1 1 415.494 0.164 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CCCO1 ZINC000556242675 1078551862 /nfs/dbraw/zinc/55/18/62/1078551862.db2.gz RTYVTKPDKOZXML-KRWDZBQOSA-N 1 1 403.527 0.784 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CCCO1 ZINC000556242679 1078551727 /nfs/dbraw/zinc/55/17/27/1078551727.db2.gz RTYVTKPDKOZXML-QGZVFWFLSA-N 1 1 403.527 0.784 20 0 HCADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000556242691 1078551890 /nfs/dbraw/zinc/55/18/90/1078551890.db2.gz UAOWIYZBDKOIRA-HNNXBMFYSA-N 1 1 422.492 0.804 20 0 HCADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000556242695 1078551980 /nfs/dbraw/zinc/55/19/80/1078551980.db2.gz UAOWIYZBDKOIRA-OAHLLOKOSA-N 1 1 422.492 0.804 20 0 HCADMO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556242934 1078551405 /nfs/dbraw/zinc/55/14/05/1078551405.db2.gz WSYHZOVISOONFI-MOPGFXCFSA-N 1 1 412.534 0.937 20 0 HCADMO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556242940 1078551296 /nfs/dbraw/zinc/55/12/96/1078551296.db2.gz WSYHZOVISOONFI-OALUTQOASA-N 1 1 412.534 0.937 20 0 HCADMO O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556242943 1078551385 /nfs/dbraw/zinc/55/13/85/1078551385.db2.gz WSYHZOVISOONFI-RBUKOAKNSA-N 1 1 412.534 0.937 20 0 HCADMO O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000556242947 1078551853 /nfs/dbraw/zinc/55/18/53/1078551853.db2.gz WSYHZOVISOONFI-RTBURBONSA-N 1 1 412.534 0.937 20 0 HCADMO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556243473 1078553148 /nfs/dbraw/zinc/55/31/48/1078553148.db2.gz YJWGQYGXVICIHO-HNNXBMFYSA-N 1 1 402.495 0.909 20 0 HCADMO Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556243475 1078553196 /nfs/dbraw/zinc/55/31/96/1078553196.db2.gz YJWGQYGXVICIHO-OAHLLOKOSA-N 1 1 402.495 0.909 20 0 HCADMO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000556243534 1078552530 /nfs/dbraw/zinc/55/25/30/1078552530.db2.gz ZZPGZYVPKVKTEL-GDBMZVCRSA-N 1 1 402.499 0.115 20 0 HCADMO CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000556243535 1078552943 /nfs/dbraw/zinc/55/29/43/1078552943.db2.gz ZZPGZYVPKVKTEL-GOEBONIOSA-N 1 1 402.499 0.115 20 0 HCADMO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000556243536 1078553082 /nfs/dbraw/zinc/55/30/82/1078553082.db2.gz ZZPGZYVPKVKTEL-HOCLYGCPSA-N 1 1 402.499 0.115 20 0 HCADMO CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1=O ZINC000556243537 1078553210 /nfs/dbraw/zinc/55/32/10/1078553210.db2.gz ZZPGZYVPKVKTEL-ZBFHGGJFSA-N 1 1 402.499 0.115 20 0 HCADMO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556243863 1078552547 /nfs/dbraw/zinc/55/25/47/1078552547.db2.gz PRYZSPZOLQCQQL-AWEZNQCLSA-N 1 1 409.508 0.186 20 0 HCADMO CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556243864 1078552514 /nfs/dbraw/zinc/55/25/14/1078552514.db2.gz PRYZSPZOLQCQQL-CQSZACIVSA-N 1 1 409.508 0.186 20 0 HCADMO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556244088 1078551838 /nfs/dbraw/zinc/55/18/38/1078551838.db2.gz WSEGTAFVNFOWKQ-KBPBESRZSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556244089 1078551968 /nfs/dbraw/zinc/55/19/68/1078551968.db2.gz WSEGTAFVNFOWKQ-KGLIPLIRSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556244090 1078552007 /nfs/dbraw/zinc/55/20/07/1078552007.db2.gz WSEGTAFVNFOWKQ-UONOGXRCSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000556244091 1078551821 /nfs/dbraw/zinc/55/18/21/1078551821.db2.gz WSEGTAFVNFOWKQ-ZIAGYGMSSA-N 1 1 408.524 0.372 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1(C)C ZINC000556244575 1078553437 /nfs/dbraw/zinc/55/34/37/1078553437.db2.gz DNCFNYFCIMFFRK-UHFFFAOYSA-N 1 1 402.543 0.309 20 0 HCADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000556244727 1078553365 /nfs/dbraw/zinc/55/33/65/1078553365.db2.gz IKVWOYJBUMZYIR-HNNXBMFYSA-N 1 1 400.527 0.921 20 0 HCADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000556244728 1078553649 /nfs/dbraw/zinc/55/36/49/1078553649.db2.gz IKVWOYJBUMZYIR-OAHLLOKOSA-N 1 1 400.527 0.921 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000556244762 1078553397 /nfs/dbraw/zinc/55/33/97/1078553397.db2.gz ARZHXZABRFPYQX-CALCHBBNSA-N 1 1 403.527 0.782 20 0 HCADMO O=C(NC1CCN(c2ccccn2)CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556244978 1078553001 /nfs/dbraw/zinc/55/30/01/1078553001.db2.gz JYIHAVQZTQAXSL-UHFFFAOYSA-N 1 1 401.511 0.490 20 0 HCADMO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000556245080 1078553181 /nfs/dbraw/zinc/55/31/81/1078553181.db2.gz FLSSPNVCLMOBMY-AWEZNQCLSA-N 1 1 405.474 0.274 20 0 HCADMO O=C(NCc1cnc(N2CCOCC2)c(F)c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000556245081 1078552981 /nfs/dbraw/zinc/55/29/81/1078552981.db2.gz FLSSPNVCLMOBMY-CQSZACIVSA-N 1 1 405.474 0.274 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247289 1078555928 /nfs/dbraw/zinc/55/59/28/1078555928.db2.gz MKBALDCRSMAHGA-IBGZPJMESA-N 1 1 417.554 0.423 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000556247290 1078555886 /nfs/dbraw/zinc/55/58/86/1078555886.db2.gz MKBALDCRSMAHGA-LJQANCHMSA-N 1 1 417.554 0.423 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CCCc4occc43)CC2)CC1 ZINC000556247322 1078555970 /nfs/dbraw/zinc/55/59/70/1078555970.db2.gz UOYVPFPFUSQQEV-KRWDZBQOSA-N 1 1 402.495 0.786 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCCc4occc43)CC2)CC1 ZINC000556247323 1078556037 /nfs/dbraw/zinc/55/60/37/1078556037.db2.gz UOYVPFPFUSQQEV-QGZVFWFLSA-N 1 1 402.495 0.786 20 0 HCADMO C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)c1 ZINC000556248856 1078556435 /nfs/dbraw/zinc/55/64/35/1078556435.db2.gz SLHULGURCFBGPQ-UHFFFAOYSA-N 1 1 402.539 0.935 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000556250196 1078557361 /nfs/dbraw/zinc/55/73/61/1078557361.db2.gz UHPWJONXHNUHLK-KURKYZTESA-N 1 1 411.506 0.660 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000556250197 1078557304 /nfs/dbraw/zinc/55/73/04/1078557304.db2.gz UHPWJONXHNUHLK-OKZBNKHCSA-N 1 1 411.506 0.660 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cn2cc[nH+]c12 ZINC000556250923 1078557383 /nfs/dbraw/zinc/55/73/83/1078557383.db2.gz LROPWTWWWLUXOI-HNNXBMFYSA-N 1 1 422.511 0.358 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)cn2cc[nH+]c12 ZINC000556250924 1078557428 /nfs/dbraw/zinc/55/74/28/1078557428.db2.gz LROPWTWWWLUXOI-OAHLLOKOSA-N 1 1 422.511 0.358 20 0 HCADMO COC(=O)c1cnn(C)c1NC(=O)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000556252009 1078557899 /nfs/dbraw/zinc/55/78/99/1078557899.db2.gz GZOIRTRLZSGCNF-UHFFFAOYSA-N 1 1 400.439 0.765 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(c2ccccn2)CC1 ZINC000556252715 1078565353 /nfs/dbraw/zinc/56/53/53/1078565353.db2.gz JEOWXLWBMIUPOD-KRWDZBQOSA-N 1 1 415.538 0.878 20 0 HCADMO C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCc3ccnn3C)CC2)C[C@H](C)O1 ZINC000556253226 1078559356 /nfs/dbraw/zinc/55/93/56/1078559356.db2.gz HRTMISOUIWMTFZ-HOTGVXAUSA-N 1 1 407.515 0.153 20 0 HCADMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCc3ccnn3C)CC2)C[C@@H](C)O1 ZINC000556253240 1078559392 /nfs/dbraw/zinc/55/93/92/1078559392.db2.gz HRTMISOUIWMTFZ-HZPDHXFCSA-N 1 1 407.515 0.153 20 0 HCADMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NCc3ccnn3C)CC2)C[C@H](C)O1 ZINC000556253241 1078559239 /nfs/dbraw/zinc/55/92/39/1078559239.db2.gz HRTMISOUIWMTFZ-IYBDPMFKSA-N 1 1 407.515 0.153 20 0 HCADMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NCc3ccnn3C)CC2)C[C@H](C)O1 ZINC000556253241 1078559230 /nfs/dbraw/zinc/55/92/30/1078559230.db2.gz HRTMISOUIWMTFZ-IYBDPMFKSA-N 1 1 407.515 0.153 20 0 HCADMO COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnn3C)C2)cc(OC)c1 ZINC000556253848 1078559339 /nfs/dbraw/zinc/55/93/39/1078559339.db2.gz MSPFRYJHGDPTEX-HNNXBMFYSA-N 1 1 401.467 0.444 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccnn3C)C2)cc(OC)c1 ZINC000556253848 1078559329 /nfs/dbraw/zinc/55/93/29/1078559329.db2.gz MSPFRYJHGDPTEX-HNNXBMFYSA-N 1 1 401.467 0.444 20 0 HCADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnn3C)C2)cc(OC)c1 ZINC000556253863 1078559262 /nfs/dbraw/zinc/55/92/62/1078559262.db2.gz MSPFRYJHGDPTEX-OAHLLOKOSA-N 1 1 401.467 0.444 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccnn3C)C2)cc(OC)c1 ZINC000556253863 1078559254 /nfs/dbraw/zinc/55/92/54/1078559254.db2.gz MSPFRYJHGDPTEX-OAHLLOKOSA-N 1 1 401.467 0.444 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000556258083 1078561343 /nfs/dbraw/zinc/56/13/43/1078561343.db2.gz XRKYISYXOKUGBJ-UHFFFAOYSA-N 1 1 413.522 0.853 20 0 HCADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000556258824 1078561908 /nfs/dbraw/zinc/56/19/08/1078561908.db2.gz GUUBJWSDHRPRHF-MSOLQXFVSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000556258824 1078561900 /nfs/dbraw/zinc/56/19/00/1078561900.db2.gz GUUBJWSDHRPRHF-MSOLQXFVSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000556258826 1078561878 /nfs/dbraw/zinc/56/18/78/1078561878.db2.gz GUUBJWSDHRPRHF-QZTJIDSGSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000556258826 1078561874 /nfs/dbraw/zinc/56/18/74/1078561874.db2.gz GUUBJWSDHRPRHF-QZTJIDSGSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000556258828 1078561682 /nfs/dbraw/zinc/56/16/82/1078561682.db2.gz GUUBJWSDHRPRHF-ROUUACIJSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000556258828 1078561671 /nfs/dbraw/zinc/56/16/71/1078561671.db2.gz GUUBJWSDHRPRHF-ROUUACIJSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000556258830 1078561939 /nfs/dbraw/zinc/56/19/39/1078561939.db2.gz GUUBJWSDHRPRHF-ZWKOTPCHSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000556258830 1078561934 /nfs/dbraw/zinc/56/19/34/1078561934.db2.gz GUUBJWSDHRPRHF-ZWKOTPCHSA-N 1 1 402.539 0.933 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCCO1 ZINC000556260851 1078563805 /nfs/dbraw/zinc/56/38/05/1078563805.db2.gz OLFPIFDUHKPFTD-INIZCTEOSA-N 1 1 411.524 0.194 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CCCO1 ZINC000556260857 1078563876 /nfs/dbraw/zinc/56/38/76/1078563876.db2.gz OLFPIFDUHKPFTD-MRXNPFEDSA-N 1 1 411.524 0.194 20 0 HCADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)NCCCN(C)S(=O)(=O)CC ZINC000556265665 1078567523 /nfs/dbraw/zinc/56/75/23/1078567523.db2.gz CJPZJFJRKFLEFV-HNNXBMFYSA-N 1 1 413.544 0.224 20 0 HCADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)NCCCN(C)S(=O)(=O)CC 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/nfs/dbraw/zinc/56/89/59/1078568959.db2.gz CWQKPQLXVWWYTH-QGZVFWFLSA-N 1 1 419.526 0.652 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000556268569 1078569867 /nfs/dbraw/zinc/56/98/67/1078569867.db2.gz MRQFWRZTGUKOHW-UHFFFAOYSA-N 1 1 422.501 0.585 20 0 HCADMO CN(CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)CC(F)(F)F ZINC000556268765 1078569484 /nfs/dbraw/zinc/56/94/84/1078569484.db2.gz GPFYMJJMZBRMAY-INIZCTEOSA-N 1 1 421.508 0.615 20 0 HCADMO CN(CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CC(F)(F)F ZINC000556268767 1078569386 /nfs/dbraw/zinc/56/93/86/1078569386.db2.gz GPFYMJJMZBRMAY-MRXNPFEDSA-N 1 1 421.508 0.615 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000556269314 1078570433 /nfs/dbraw/zinc/57/04/33/1078570433.db2.gz NGNVVRHFVZZKCD-UHFFFAOYSA-N 1 1 404.511 0.492 20 0 HCADMO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000556269918 1078570945 /nfs/dbraw/zinc/57/09/45/1078570945.db2.gz 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WWWDWLDEKOPYQD-XHSDSOJGSA-N 1 1 404.577 0.257 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000556270123 1078570412 /nfs/dbraw/zinc/57/04/12/1078570412.db2.gz VCHJFRNAEKZDJJ-UHFFFAOYSA-N 1 1 422.501 0.631 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000556270342 1078571494 /nfs/dbraw/zinc/57/14/94/1078571494.db2.gz CRZXRBSAZJSHBY-UHFFFAOYSA-N 1 1 418.538 0.800 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000556270683 1078571803 /nfs/dbraw/zinc/57/18/03/1078571803.db2.gz PUGVFGXTXGCMSR-UHFFFAOYSA-N 1 1 414.510 0.296 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000556271545 1078572342 /nfs/dbraw/zinc/57/23/42/1078572342.db2.gz YORWPVSJVNCWJZ-UHFFFAOYSA-N 1 1 408.499 0.393 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000556271914 1078572441 /nfs/dbraw/zinc/57/24/41/1078572441.db2.gz BKBKLWGKIVKFGM-INIZCTEOSA-N 1 1 403.527 0.590 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000556274028 1078573488 /nfs/dbraw/zinc/57/34/88/1078573488.db2.gz VSIAVAAZNIWOSJ-UHFFFAOYSA-N 1 1 418.538 0.834 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000556274443 1078576202 /nfs/dbraw/zinc/57/62/02/1078576202.db2.gz YPNVWPJVMVJXLK-UHFFFAOYSA-N 1 1 418.538 0.800 20 0 HCADMO CN(CC(C)(C)O)C(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556279379 1078574045 /nfs/dbraw/zinc/57/40/45/1078574045.db2.gz FNYBLKOOHRQZSC-UHFFFAOYSA-N 1 1 404.555 0.930 20 0 HCADMO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000556279918 1078573443 /nfs/dbraw/zinc/57/34/43/1078573443.db2.gz JCOZNANHLYOPTR-PBHICJAKSA-N 1 1 420.485 0.777 20 0 HCADMO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000556279921 1078573354 /nfs/dbraw/zinc/57/33/54/1078573354.db2.gz JCOZNANHLYOPTR-RHSMWYFYSA-N 1 1 420.485 0.777 20 0 HCADMO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000556279923 1078573410 /nfs/dbraw/zinc/57/34/10/1078573410.db2.gz JCOZNANHLYOPTR-WMLDXEAASA-N 1 1 420.485 0.777 20 0 HCADMO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000556279924 1078573421 /nfs/dbraw/zinc/57/34/21/1078573421.db2.gz JCOZNANHLYOPTR-YOEHRIQHSA-N 1 1 420.485 0.777 20 0 HCADMO CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000556280561 1078573889 /nfs/dbraw/zinc/57/38/89/1078573889.db2.gz DGESEXUTBXLDOK-UHFFFAOYSA-N 1 1 407.540 0.998 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000556281591 1078574614 /nfs/dbraw/zinc/57/46/14/1078574614.db2.gz OPFXIVKMJMINMM-IBGZPJMESA-N 1 1 416.570 0.507 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000556281593 1078574518 /nfs/dbraw/zinc/57/45/18/1078574518.db2.gz OPFXIVKMJMINMM-LJQANCHMSA-N 1 1 416.570 0.507 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CO ZINC000556281846 1078574584 /nfs/dbraw/zinc/57/45/84/1078574584.db2.gz ZUZRDZPQGUGTML-CTNGQTDRSA-N 1 1 416.566 0.787 20 0 HCADMO Cn1cc(CNC(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000556282081 1078574076 /nfs/dbraw/zinc/57/40/76/1078574076.db2.gz MGTWTZYEGGBKMG-UHFFFAOYSA-N 1 1 412.538 0.751 20 0 HCADMO Cn1ccnc1CNC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000556282699 1078575058 /nfs/dbraw/zinc/57/50/58/1078575058.db2.gz ZIYZJWUHSKKSGP-UHFFFAOYSA-N 1 1 412.538 0.751 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000556284216 1078575693 /nfs/dbraw/zinc/57/56/93/1078575693.db2.gz CJMIETMVBLLDRX-KBXCAEBGSA-N 1 1 412.498 0.144 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000556284219 1078575538 /nfs/dbraw/zinc/57/55/38/1078575538.db2.gz CJMIETMVBLLDRX-KDOFPFPSSA-N 1 1 412.498 0.144 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000556284220 1078575594 /nfs/dbraw/zinc/57/55/94/1078575594.db2.gz CJMIETMVBLLDRX-KSSFIOAISA-N 1 1 412.498 0.144 20 0 HCADMO CN(C)c1nc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000556284221 1078575521 /nfs/dbraw/zinc/57/55/21/1078575521.db2.gz CJMIETMVBLLDRX-RDTXWAMCSA-N 1 1 412.498 0.144 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cnc21 ZINC000556284266 1078582572 /nfs/dbraw/zinc/58/25/72/1078582572.db2.gz DAJVLBCWIKNLOD-HNNXBMFYSA-N 1 1 421.454 0.754 20 0 HCADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cnc21 ZINC000556284282 1078582600 /nfs/dbraw/zinc/58/26/00/1078582600.db2.gz DAJVLBCWIKNLOD-OAHLLOKOSA-N 1 1 421.454 0.754 20 0 HCADMO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000556286122 1078582973 /nfs/dbraw/zinc/58/29/73/1078582973.db2.gz AAFSLLNIRWKWMU-AEFFLSMTSA-N 1 1 402.543 0.542 20 0 HCADMO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000556286130 1078583103 /nfs/dbraw/zinc/58/31/03/1078583103.db2.gz AAFSLLNIRWKWMU-FUHWJXTLSA-N 1 1 402.543 0.542 20 0 HCADMO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000556286131 1078582946 /nfs/dbraw/zinc/58/29/46/1078582946.db2.gz AAFSLLNIRWKWMU-SJLPKXTDSA-N 1 1 402.543 0.542 20 0 HCADMO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000556286132 1078583000 /nfs/dbraw/zinc/58/30/00/1078583000.db2.gz AAFSLLNIRWKWMU-WMZOPIPTSA-N 1 1 402.543 0.542 20 0 HCADMO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000556289094 1078584722 /nfs/dbraw/zinc/58/47/22/1078584722.db2.gz ZCUPAWSSINWWCZ-HKUYNNGSSA-N 1 1 411.506 0.797 20 0 HCADMO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000556289095 1078584808 /nfs/dbraw/zinc/58/48/08/1078584808.db2.gz ZCUPAWSSINWWCZ-IEBWSBKVSA-N 1 1 411.506 0.797 20 0 HCADMO Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000556289096 1078584863 /nfs/dbraw/zinc/58/48/63/1078584863.db2.gz ZCUPAWSSINWWCZ-MJGOQNOKSA-N 1 1 411.506 0.797 20 0 HCADMO Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000556289097 1078584780 /nfs/dbraw/zinc/58/47/80/1078584780.db2.gz ZCUPAWSSINWWCZ-PKOBYXMFSA-N 1 1 411.506 0.797 20 0 HCADMO COc1ccc(F)cc1[C@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556291022 1078578687 /nfs/dbraw/zinc/57/86/87/1078578687.db2.gz ZBGWLHSYXNEXBS-AWEZNQCLSA-N 1 1 408.474 0.634 20 0 HCADMO COc1ccc(F)cc1[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556291023 1078578393 /nfs/dbraw/zinc/57/83/93/1078578393.db2.gz ZBGWLHSYXNEXBS-CQSZACIVSA-N 1 1 408.474 0.634 20 0 HCADMO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556293854 1078580979 /nfs/dbraw/zinc/58/09/79/1078580979.db2.gz YKZJYIDSSLKAJZ-IBGZPJMESA-N 1 1 400.523 0.748 20 0 HCADMO O=C(NCC1(N2CCOCC2)CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556293856 1078580872 /nfs/dbraw/zinc/58/08/72/1078580872.db2.gz YKZJYIDSSLKAJZ-LJQANCHMSA-N 1 1 400.523 0.748 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](CO)CC3CCC3)cc2)CC1 ZINC000556294118 1078580353 /nfs/dbraw/zinc/58/03/53/1078580353.db2.gz XZWHUAQWANRDNG-IBGZPJMESA-N 1 1 416.522 0.609 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](CO)CC3CCC3)cc2)CC1 ZINC000556294119 1078580243 /nfs/dbraw/zinc/58/02/43/1078580243.db2.gz XZWHUAQWANRDNG-LJQANCHMSA-N 1 1 416.522 0.609 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556297325 1078589511 /nfs/dbraw/zinc/58/95/11/1078589511.db2.gz LYCNGPBHZPLFAB-MSOLQXFVSA-N 1 1 422.551 0.307 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556297340 1078589285 /nfs/dbraw/zinc/58/92/85/1078589285.db2.gz LYCNGPBHZPLFAB-QZTJIDSGSA-N 1 1 422.551 0.307 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556297342 1078589430 /nfs/dbraw/zinc/58/94/30/1078589430.db2.gz LYCNGPBHZPLFAB-ROUUACIJSA-N 1 1 422.551 0.307 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556297344 1078589173 /nfs/dbraw/zinc/58/91/73/1078589173.db2.gz LYCNGPBHZPLFAB-ZWKOTPCHSA-N 1 1 422.551 0.307 20 0 HCADMO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cnn1C ZINC000556297490 1078590434 /nfs/dbraw/zinc/59/04/34/1078590434.db2.gz IRJWOTWZFHCVJI-AEFFLSMTSA-N 1 1 420.558 0.159 20 0 HCADMO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cnn1C ZINC000556297491 1078590655 /nfs/dbraw/zinc/59/06/55/1078590655.db2.gz IRJWOTWZFHCVJI-FUHWJXTLSA-N 1 1 420.558 0.159 20 0 HCADMO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cnn1C ZINC000556297492 1078590575 /nfs/dbraw/zinc/59/05/75/1078590575.db2.gz IRJWOTWZFHCVJI-SJLPKXTDSA-N 1 1 420.558 0.159 20 0 HCADMO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cnn1C ZINC000556297493 1078590347 /nfs/dbraw/zinc/59/03/47/1078590347.db2.gz IRJWOTWZFHCVJI-WMZOPIPTSA-N 1 1 420.558 0.159 20 0 HCADMO Cc1c([C@@H](C)NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnn1C ZINC000556297947 1078589959 /nfs/dbraw/zinc/58/99/59/1078589959.db2.gz MDQHLCKEAGISEQ-NAZJXLNTSA-N 1 1 402.543 0.675 20 0 HCADMO Cc1c([C@H](C)NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnn1C ZINC000556297951 1078590025 /nfs/dbraw/zinc/59/00/25/1078590025.db2.gz MDQHLCKEAGISEQ-QTXGHNMQSA-N 1 1 402.543 0.675 20 0 HCADMO Cc1c([C@H](C)NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000556297990 1078590120 /nfs/dbraw/zinc/59/01/20/1078590120.db2.gz PPEPFQJKCXKSGL-INIZCTEOSA-N 1 1 413.526 0.629 20 0 HCADMO Cc1c([C@@H](C)NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000556297993 1078590075 /nfs/dbraw/zinc/59/00/75/1078590075.db2.gz PPEPFQJKCXKSGL-MRXNPFEDSA-N 1 1 413.526 0.629 20 0 HCADMO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556298489 1078591774 /nfs/dbraw/zinc/59/17/74/1078591774.db2.gz HMJIQIAHKOKCPU-MSOLQXFVSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)NC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556298491 1078591984 /nfs/dbraw/zinc/59/19/84/1078591984.db2.gz HMJIQIAHKOKCPU-QZTJIDSGSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556298494 1078591662 /nfs/dbraw/zinc/59/16/62/1078591662.db2.gz HMJIQIAHKOKCPU-ROUUACIJSA-N 1 1 401.511 0.674 20 0 HCADMO NC(=O)NC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556298496 1078592028 /nfs/dbraw/zinc/59/20/28/1078592028.db2.gz HMJIQIAHKOKCPU-ZWKOTPCHSA-N 1 1 401.511 0.674 20 0 HCADMO Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2=O)cn1 ZINC000556299133 1078590715 /nfs/dbraw/zinc/59/07/15/1078590715.db2.gz RUSNZNUDMSDDTQ-GOSISDBHSA-N 1 1 424.505 0.376 20 0 HCADMO Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2=O)cn1 ZINC000556299136 1078590381 /nfs/dbraw/zinc/59/03/81/1078590381.db2.gz RUSNZNUDMSDDTQ-SFHVURJKSA-N 1 1 424.505 0.376 20 0 HCADMO CC1(C)CN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000556299457 1078593039 /nfs/dbraw/zinc/59/30/39/1078593039.db2.gz ZPHBTFVQTOTQPF-IBGZPJMESA-N 1 1 402.539 0.994 20 0 HCADMO CC1(C)CN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000556299458 1078593126 /nfs/dbraw/zinc/59/31/26/1078593126.db2.gz ZPHBTFVQTOTQPF-LJQANCHMSA-N 1 1 402.539 0.994 20 0 HCADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299918 1078592430 /nfs/dbraw/zinc/59/24/30/1078592430.db2.gz XUYPZDHHNDWRTH-LEWJYISDSA-N 1 1 414.550 0.948 20 0 HCADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299928 1078592495 /nfs/dbraw/zinc/59/24/95/1078592495.db2.gz XUYPZDHHNDWRTH-NHCUHLMSSA-N 1 1 414.550 0.948 20 0 HCADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000556299929 1078592331 /nfs/dbraw/zinc/59/23/31/1078592331.db2.gz XUYPZDHHNDWRTH-RTWAWAEBSA-N 1 1 414.550 0.948 20 0 HCADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000556299932 1078592668 /nfs/dbraw/zinc/59/26/68/1078592668.db2.gz XUYPZDHHNDWRTH-SFTDATJTSA-N 1 1 414.550 0.948 20 0 HCADMO COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556300294 1078594798 /nfs/dbraw/zinc/59/47/98/1078594798.db2.gz ZEAGEUQGQVQLRQ-GOSISDBHSA-N 1 1 402.495 0.084 20 0 HCADMO COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556300301 1078595013 /nfs/dbraw/zinc/59/50/13/1078595013.db2.gz ZEAGEUQGQVQLRQ-SFHVURJKSA-N 1 1 402.495 0.084 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000556300332 1078595279 /nfs/dbraw/zinc/59/52/79/1078595279.db2.gz ZPPIQHWPAFDUEY-GOSISDBHSA-N 1 1 424.567 0.555 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000556300335 1078595211 /nfs/dbraw/zinc/59/52/11/1078595211.db2.gz ZPPIQHWPAFDUEY-SFHVURJKSA-N 1 1 424.567 0.555 20 0 HCADMO COCCN1CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000556300601 1078594837 /nfs/dbraw/zinc/59/48/37/1078594837.db2.gz TYHCWINIEHZVSR-IBGZPJMESA-N 1 1 416.522 0.475 20 0 HCADMO COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000556300602 1078594706 /nfs/dbraw/zinc/59/47/06/1078594706.db2.gz TYHCWINIEHZVSR-LJQANCHMSA-N 1 1 416.522 0.475 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000556300982 1078594174 /nfs/dbraw/zinc/59/41/74/1078594174.db2.gz YPWIVSYJWWXIQP-IBGZPJMESA-N 1 1 424.501 0.948 20 0 HCADMO NC(=O)COc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000556300983 1078594016 /nfs/dbraw/zinc/59/40/16/1078594016.db2.gz YPWIVSYJWWXIQP-LJQANCHMSA-N 1 1 424.501 0.948 20 0 HCADMO 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/nfs/dbraw/zinc/60/81/11/1078608111.db2.gz UKOZESHNFWIMSW-PMPSAXMXSA-N 1 1 408.568 0.836 20 0 HCADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000556324906 1078620702 /nfs/dbraw/zinc/62/07/02/1078620702.db2.gz VURYNSDLQYPYPY-UHFFFAOYSA-N 1 1 405.524 0.786 20 0 HCADMO COC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000556331630 1078626571 /nfs/dbraw/zinc/62/65/71/1078626571.db2.gz KHLITDLFEDJSAB-INIZCTEOSA-N 1 1 411.449 0.919 20 0 HCADMO COC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000556331631 1078626738 /nfs/dbraw/zinc/62/67/38/1078626738.db2.gz KHLITDLFEDJSAB-MRXNPFEDSA-N 1 1 411.449 0.919 20 0 HCADMO CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000556331941 1078626699 /nfs/dbraw/zinc/62/66/99/1078626699.db2.gz VTFDUNUYIOURJC-AWEZNQCLSA-N 1 1 412.918 0.726 20 0 HCADMO CCOc1c(Cl)cc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000556331942 1078626585 /nfs/dbraw/zinc/62/65/85/1078626585.db2.gz VTFDUNUYIOURJC-CQSZACIVSA-N 1 1 412.918 0.726 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000556333405 1078629549 /nfs/dbraw/zinc/62/95/49/1078629549.db2.gz BQUKKFGQUXCHHP-DFNIBXOVSA-N 1 1 416.570 0.465 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556333737 1078623984 /nfs/dbraw/zinc/62/39/84/1078623984.db2.gz GDDAPSUWOULHJP-CALCHBBNSA-N 1 1 418.586 0.713 20 0 HCADMO CCn1ncnc1CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556334430 1078630480 /nfs/dbraw/zinc/63/04/80/1078630480.db2.gz MCIKEBNPORIYSE-UHFFFAOYSA-N 1 1 406.437 0.973 20 0 HCADMO CN(CCN1CCOCC1)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556334487 1078630638 /nfs/dbraw/zinc/63/06/38/1078630638.db2.gz NRDRBHVJYQNAFC-UHFFFAOYSA-N 1 1 424.492 0.836 20 0 HCADMO COCCN1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000556334738 1078630545 /nfs/dbraw/zinc/63/05/45/1078630545.db2.gz OWQFMFCKBKOTFE-UHFFFAOYSA-N 1 1 424.492 0.836 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000556335805 1078631239 /nfs/dbraw/zinc/63/12/39/1078631239.db2.gz XEDCXBJBFLUFPA-IBGZPJMESA-N 1 1 413.522 0.579 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000556335806 1078631193 /nfs/dbraw/zinc/63/11/93/1078631193.db2.gz XEDCXBJBFLUFPA-LJQANCHMSA-N 1 1 413.522 0.579 20 0 HCADMO C[C@H]1COCCN1CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556335807 1078631141 /nfs/dbraw/zinc/63/11/41/1078631141.db2.gz XJGZBUHLMVJUKB-HNNXBMFYSA-N 1 1 424.492 0.882 20 0 HCADMO C[C@@H]1COCCN1CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000556335808 1078631222 /nfs/dbraw/zinc/63/12/22/1078631222.db2.gz XJGZBUHLMVJUKB-OAHLLOKOSA-N 1 1 424.492 0.882 20 0 HCADMO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000556344100 1078637344 /nfs/dbraw/zinc/63/73/44/1078637344.db2.gz CBXSEBRMZADCLP-UHFFFAOYSA-N 1 1 414.384 0.918 20 0 HCADMO C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCSC1 ZINC000556344145 1078637323 /nfs/dbraw/zinc/63/73/23/1078637323.db2.gz FPKKDEBGZWCBTR-INIZCTEOSA-N 1 1 413.565 0.761 20 0 HCADMO C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCSC1 ZINC000556344146 1078637261 /nfs/dbraw/zinc/63/72/61/1078637261.db2.gz FPKKDEBGZWCBTR-MRXNPFEDSA-N 1 1 413.565 0.761 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347780 1078638985 /nfs/dbraw/zinc/63/89/85/1078638985.db2.gz QSFYIYFREOSUGT-IBGZPJMESA-N 1 1 401.555 0.725 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000556347781 1078639137 /nfs/dbraw/zinc/63/91/37/1078639137.db2.gz QSFYIYFREOSUGT-LJQANCHMSA-N 1 1 401.555 0.725 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)CN1CC[NH+](C)CC1 ZINC000556348100 1078639024 /nfs/dbraw/zinc/63/90/24/1078639024.db2.gz KGVNHUBJFUIQRH-DOTOQJQBSA-N 1 1 419.501 0.047 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)CN1CC[NH+](C)CC1 ZINC000556348101 1078639118 /nfs/dbraw/zinc/63/91/18/1078639118.db2.gz KGVNHUBJFUIQRH-NVXWUHKLSA-N 1 1 419.501 0.047 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)CN1CC[NH+](C)CC1 ZINC000556348102 1078639067 /nfs/dbraw/zinc/63/90/67/1078639067.db2.gz KGVNHUBJFUIQRH-RDJZCZTQSA-N 1 1 419.501 0.047 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)CN1CC[NH+](C)CC1 ZINC000556348103 1078638962 /nfs/dbraw/zinc/63/89/62/1078638962.db2.gz KGVNHUBJFUIQRH-WBVHZDCISA-N 1 1 419.501 0.047 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348761 1078640873 /nfs/dbraw/zinc/64/08/73/1078640873.db2.gz UIJJHBOJTAJGOB-MSOLQXFVSA-N 1 1 418.538 0.675 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348762 1078640904 /nfs/dbraw/zinc/64/09/04/1078640904.db2.gz UIJJHBOJTAJGOB-QZTJIDSGSA-N 1 1 418.538 0.675 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000556348763 1078640839 /nfs/dbraw/zinc/64/08/39/1078640839.db2.gz UIJJHBOJTAJGOB-ROUUACIJSA-N 1 1 418.538 0.675 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000556348764 1078640812 /nfs/dbraw/zinc/64/08/12/1078640812.db2.gz UIJJHBOJTAJGOB-ZWKOTPCHSA-N 1 1 418.538 0.675 20 0 HCADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556350892 1078642321 /nfs/dbraw/zinc/64/23/21/1078642321.db2.gz OOOXGONENUGZLL-KRWDZBQOSA-N 1 1 409.458 0.578 20 0 HCADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000556350893 1078642486 /nfs/dbraw/zinc/64/24/86/1078642486.db2.gz OOOXGONENUGZLL-QGZVFWFLSA-N 1 1 409.458 0.578 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@H+]1C[C@H](C)O ZINC000556351464 1078648690 /nfs/dbraw/zinc/64/86/90/1078648690.db2.gz MWACHNXYMQCAJH-KBXCAEBGSA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@@H+]1C[C@H](C)O ZINC000556351464 1078648683 /nfs/dbraw/zinc/64/86/83/1078648683.db2.gz MWACHNXYMQCAJH-KBXCAEBGSA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@H+]1C[C@@H](C)O ZINC000556351465 1078648754 /nfs/dbraw/zinc/64/87/54/1078648754.db2.gz MWACHNXYMQCAJH-KDOFPFPSSA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@@H+]1C[C@@H](C)O ZINC000556351465 1078648752 /nfs/dbraw/zinc/64/87/52/1078648752.db2.gz MWACHNXYMQCAJH-KDOFPFPSSA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@H+]1C[C@H](C)O ZINC000556351466 1078648709 /nfs/dbraw/zinc/64/87/09/1078648709.db2.gz MWACHNXYMQCAJH-KSSFIOAISA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@@H+]1C[C@H](C)O ZINC000556351466 1078648704 /nfs/dbraw/zinc/64/87/04/1078648704.db2.gz MWACHNXYMQCAJH-KSSFIOAISA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@H+]1C[C@@H](C)O ZINC000556351467 1078648651 /nfs/dbraw/zinc/64/86/51/1078648651.db2.gz MWACHNXYMQCAJH-RDTXWAMCSA-N 1 1 423.485 0.655 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC[N@@H+]1C[C@@H](C)O ZINC000556351467 1078648647 /nfs/dbraw/zinc/64/86/47/1078648647.db2.gz MWACHNXYMQCAJH-RDTXWAMCSA-N 1 1 423.485 0.655 20 0 HCADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1(C)C ZINC000556352268 1078641450 /nfs/dbraw/zinc/64/14/50/1078641450.db2.gz QHMZCYLPIHLWPR-UHFFFAOYSA-N 1 1 422.501 0.493 20 0 HCADMO O=C(NCCc1cc(F)cc2c1OCOC2)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556352464 1078650935 /nfs/dbraw/zinc/65/09/35/1078650935.db2.gz VKGKXJVWDPBWFW-HNNXBMFYSA-N 1 1 421.469 0.532 20 0 HCADMO O=C(NCCc1cc(F)cc2c1OCOC2)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556352465 1078651096 /nfs/dbraw/zinc/65/10/96/1078651096.db2.gz VKGKXJVWDPBWFW-OAHLLOKOSA-N 1 1 421.469 0.532 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353466 1078652126 /nfs/dbraw/zinc/65/21/26/1078652126.db2.gz AYPPCMSEWFAALV-APWZRJJASA-N 1 1 406.502 0.725 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353467 1078651985 /nfs/dbraw/zinc/65/19/85/1078651985.db2.gz AYPPCMSEWFAALV-LPHOPBHVSA-N 1 1 406.502 0.725 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353468 1078652107 /nfs/dbraw/zinc/65/21/07/1078652107.db2.gz AYPPCMSEWFAALV-QFBILLFUSA-N 1 1 406.502 0.725 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353469 1078651754 /nfs/dbraw/zinc/65/17/54/1078651754.db2.gz AYPPCMSEWFAALV-VQIMIIECSA-N 1 1 406.502 0.725 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353738 1078651384 /nfs/dbraw/zinc/65/13/84/1078651384.db2.gz AEYMFYKNJDEMQQ-DLBZAZTESA-N 1 1 421.517 0.590 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353741 1078651331 /nfs/dbraw/zinc/65/13/31/1078651331.db2.gz AEYMFYKNJDEMQQ-IAGOWNOFSA-N 1 1 421.517 0.590 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353743 1078651490 /nfs/dbraw/zinc/65/14/90/1078651490.db2.gz AEYMFYKNJDEMQQ-IRXDYDNUSA-N 1 1 421.517 0.590 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCC[C@H](Oc2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556353745 1078652041 /nfs/dbraw/zinc/65/20/41/1078652041.db2.gz AEYMFYKNJDEMQQ-SJORKVTESA-N 1 1 421.517 0.590 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353747 1078652066 /nfs/dbraw/zinc/65/20/66/1078652066.db2.gz AFNFAXDSDOSYII-HNNXBMFYSA-N 1 1 404.515 0.046 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000556353751 1078651885 /nfs/dbraw/zinc/65/18/85/1078651885.db2.gz AFNFAXDSDOSYII-OAHLLOKOSA-N 1 1 404.515 0.046 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000556353822 1078652142 /nfs/dbraw/zinc/65/21/42/1078652142.db2.gz DCRXDTZFJOTVQS-BEFAXECRSA-N 1 1 424.492 0.864 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000556353823 1078651852 /nfs/dbraw/zinc/65/18/52/1078651852.db2.gz DCRXDTZFJOTVQS-DNVCBOLYSA-N 1 1 424.492 0.864 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000556353824 1078652022 /nfs/dbraw/zinc/65/20/22/1078652022.db2.gz DCRXDTZFJOTVQS-HNAYVOBHSA-N 1 1 424.492 0.864 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000556353827 1078651816 /nfs/dbraw/zinc/65/18/16/1078651816.db2.gz DCRXDTZFJOTVQS-KXBFYZLASA-N 1 1 424.492 0.864 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)CN1CC[NH+](C)CC1 ZINC000556354205 1078650881 /nfs/dbraw/zinc/65/08/81/1078650881.db2.gz FBLWJGGWJBFCAC-GOSISDBHSA-N 1 1 401.555 0.862 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCC(Cc2cccnc2)CC1)CN1CC[NH+](C)CC1 ZINC000556354209 1078651051 /nfs/dbraw/zinc/65/10/51/1078651051.db2.gz FBLWJGGWJBFCAC-SFHVURJKSA-N 1 1 401.555 0.862 20 0 HCADMO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccn1 ZINC000556354270 1078651433 /nfs/dbraw/zinc/65/14/33/1078651433.db2.gz FMQDWSFIPWBXHS-DLBZAZTESA-N 1 1 405.543 0.875 20 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C[C@@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)CN1CC[NH+](C)CC1 ZINC000556354643 1078653199 /nfs/dbraw/zinc/65/31/99/1078653199.db2.gz KNBDOFSFRZDRLK-INIZCTEOSA-N 1 1 412.538 0.987 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1nc2ccccc2n1C1CC1)CN1CC[NH+](C)CC1 ZINC000556354644 1078653138 /nfs/dbraw/zinc/65/31/38/1078653138.db2.gz KNBDOFSFRZDRLK-MRXNPFEDSA-N 1 1 412.538 0.987 20 0 HCADMO Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000556354653 1078653080 /nfs/dbraw/zinc/65/30/80/1078653080.db2.gz KVXFZKGUVVJSST-IBGZPJMESA-N 1 1 415.582 0.952 20 0 HCADMO Cc1ccc(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000556354657 1078653173 /nfs/dbraw/zinc/65/31/73/1078653173.db2.gz KVXFZKGUVVJSST-LJQANCHMSA-N 1 1 415.582 0.952 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354658 1078653208 /nfs/dbraw/zinc/65/32/08/1078653208.db2.gz KYGMQFOTUUKNIH-AABGKKOBSA-N 1 1 423.602 0.136 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000556354659 1078653743 /nfs/dbraw/zinc/65/37/43/1078653743.db2.gz KYGMQFOTUUKNIH-AQNXPRMDSA-N 1 1 423.602 0.136 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354661 1078653712 /nfs/dbraw/zinc/65/37/12/1078653712.db2.gz KYGMQFOTUUKNIH-HSALFYBXSA-N 1 1 423.602 0.136 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000556354663 1078653666 /nfs/dbraw/zinc/65/36/66/1078653666.db2.gz KYGMQFOTUUKNIH-VAMGGRTRSA-N 1 1 423.602 0.136 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)CN1CC[NH+](C)CC1 ZINC000556354812 1078653234 /nfs/dbraw/zinc/65/32/34/1078653234.db2.gz IRFVYHWXVWWPJP-INIZCTEOSA-N 1 1 405.543 0.875 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1)CN1CC[NH+](C)CC1 ZINC000556354814 1078653115 /nfs/dbraw/zinc/65/31/15/1078653115.db2.gz IRFVYHWXVWWPJP-MRXNPFEDSA-N 1 1 405.543 0.875 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556354901 1078652500 /nfs/dbraw/zinc/65/25/00/1078652500.db2.gz MTTZBGCUEYSPTL-GGPKGHCWSA-N 1 1 402.539 0.975 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000556354902 1078652445 /nfs/dbraw/zinc/65/24/45/1078652445.db2.gz MTTZBGCUEYSPTL-HBFSDRIKSA-N 1 1 402.539 0.975 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556354903 1078652547 /nfs/dbraw/zinc/65/25/47/1078652547.db2.gz MTTZBGCUEYSPTL-QWFCFKBJSA-N 1 1 402.539 0.975 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556354904 1078652558 /nfs/dbraw/zinc/65/25/58/1078652558.db2.gz MTTZBGCUEYSPTL-WSTZPKSXSA-N 1 1 402.539 0.975 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354966 1078652460 /nfs/dbraw/zinc/65/24/60/1078652460.db2.gz OPMJGSWKNHAEDY-AWEZNQCLSA-N 1 1 400.474 0.626 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2nccn2C(F)F)CC1 ZINC000556354967 1078652537 /nfs/dbraw/zinc/65/25/37/1078652537.db2.gz OPMJGSWKNHAEDY-CQSZACIVSA-N 1 1 400.474 0.626 20 0 HCADMO Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000556354970 1078652573 /nfs/dbraw/zinc/65/25/73/1078652573.db2.gz OULZCDZAYSMVKZ-GOSISDBHSA-N 1 1 417.554 0.760 20 0 HCADMO Cc1ccnc(OC2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000556354971 1078652488 /nfs/dbraw/zinc/65/24/88/1078652488.db2.gz OULZCDZAYSMVKZ-SFHVURJKSA-N 1 1 417.554 0.760 20 0 HCADMO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000556355033 1078653243 /nfs/dbraw/zinc/65/32/43/1078653243.db2.gz KJLFWUOGRLDZKD-KRWDZBQOSA-N 1 1 412.538 0.797 20 0 HCADMO Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000556355035 1078653188 /nfs/dbraw/zinc/65/31/88/1078653188.db2.gz KJLFWUOGRLDZKD-QGZVFWFLSA-N 1 1 412.538 0.797 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556355225 1078652526 /nfs/dbraw/zinc/65/25/26/1078652526.db2.gz MNWKZSLTEMTFEP-KRWDZBQOSA-N 1 1 412.538 0.703 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556355243 1078652507 /nfs/dbraw/zinc/65/25/07/1078652507.db2.gz MNWKZSLTEMTFEP-QGZVFWFLSA-N 1 1 412.538 0.703 20 0 HCADMO COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000556355453 1078644269 /nfs/dbraw/zinc/64/42/69/1078644269.db2.gz BRKPMBLPVDOEKL-HOTGVXAUSA-N 1 1 418.538 0.635 20 0 HCADMO COc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000556355455 1078644164 /nfs/dbraw/zinc/64/41/64/1078644164.db2.gz BRKPMBLPVDOEKL-HZPDHXFCSA-N 1 1 418.538 0.635 20 0 HCADMO COc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000556355458 1078644193 /nfs/dbraw/zinc/64/41/93/1078644193.db2.gz BRKPMBLPVDOEKL-JKSUJKDBSA-N 1 1 418.538 0.635 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)CN1CC[NH+](C)CC1 ZINC000556355595 1078644404 /nfs/dbraw/zinc/64/44/04/1078644404.db2.gz SBBRQNKKZKQPMV-KRWDZBQOSA-N 1 1 412.538 0.703 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1-c1cnn(C)c1)CN1CC[NH+](C)CC1 ZINC000556355596 1078644346 /nfs/dbraw/zinc/64/43/46/1078644346.db2.gz SBBRQNKKZKQPMV-QGZVFWFLSA-N 1 1 412.538 0.703 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)CN1CC[NH+](C)CC1 ZINC000556356200 1078654323 /nfs/dbraw/zinc/65/43/23/1078654323.db2.gz XWQDLIOIUIBWDR-INIZCTEOSA-N 1 1 404.511 0.464 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCCCO2)CN1CC[NH+](C)CC1 ZINC000556356209 1078653799 /nfs/dbraw/zinc/65/37/99/1078653799.db2.gz XWQDLIOIUIBWDR-MRXNPFEDSA-N 1 1 404.511 0.464 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356362 1078645069 /nfs/dbraw/zinc/64/50/69/1078645069.db2.gz KINKDICDIJIZOI-INIZCTEOSA-N 1 1 402.543 0.403 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 ZINC000556356364 1078644956 /nfs/dbraw/zinc/64/49/56/1078644956.db2.gz KINKDICDIJIZOI-MRXNPFEDSA-N 1 1 402.543 0.403 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000556356408 1078645032 /nfs/dbraw/zinc/64/50/32/1078645032.db2.gz KYGLVLOSUSRQQJ-KRWDZBQOSA-N 1 1 423.602 0.577 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000556356411 1078645045 /nfs/dbraw/zinc/64/50/45/1078645045.db2.gz KYGLVLOSUSRQQJ-QGZVFWFLSA-N 1 1 423.602 0.577 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)CN1CC[NH+](C)CC1 ZINC000556356449 1078645002 /nfs/dbraw/zinc/64/50/02/1078645002.db2.gz YHGKVXXHTQJXDU-DLBZAZTESA-N 1 1 404.511 0.285 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1COc2ccccc2O1)CN1CC[NH+](C)CC1 ZINC000556356450 1078644994 /nfs/dbraw/zinc/64/49/94/1078644994.db2.gz YHGKVXXHTQJXDU-IAGOWNOFSA-N 1 1 404.511 0.285 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)CN1CC[NH+](C)CC1 ZINC000556356451 1078645076 /nfs/dbraw/zinc/64/50/76/1078645076.db2.gz YHGKVXXHTQJXDU-IRXDYDNUSA-N 1 1 404.511 0.285 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)C[C@H]1COc2ccccc2O1)CN1CC[NH+](C)CC1 ZINC000556356452 1078645109 /nfs/dbraw/zinc/64/51/09/1078645109.db2.gz YHGKVXXHTQJXDU-SJORKVTESA-N 1 1 404.511 0.285 20 0 HCADMO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000556356614 1078645119 /nfs/dbraw/zinc/64/51/19/1078645119.db2.gz MQQJQMYUOWZDHP-MSOLQXFVSA-N 1 1 417.554 0.390 20 0 HCADMO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000556356615 1078645038 /nfs/dbraw/zinc/64/50/38/1078645038.db2.gz MQQJQMYUOWZDHP-QZTJIDSGSA-N 1 1 417.554 0.390 20 0 HCADMO COc1cccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000556356616 1078644967 /nfs/dbraw/zinc/64/49/67/1078644967.db2.gz MQQJQMYUOWZDHP-ROUUACIJSA-N 1 1 417.554 0.390 20 0 HCADMO COc1cccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000556356617 1078645084 /nfs/dbraw/zinc/64/50/84/1078645084.db2.gz MQQJQMYUOWZDHP-ZWKOTPCHSA-N 1 1 417.554 0.390 20 0 HCADMO 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CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@H+]1CCOC ZINC000556364325 1078663989 /nfs/dbraw/zinc/66/39/89/1078663989.db2.gz XRSOWRIVQXUADM-ZWKOTPCHSA-N 1 1 418.542 0.521 20 0 HCADMO CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1CCOC ZINC000556364325 1078663985 /nfs/dbraw/zinc/66/39/85/1078663985.db2.gz XRSOWRIVQXUADM-ZWKOTPCHSA-N 1 1 418.542 0.521 20 0 HCADMO COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000556364348 1078664027 /nfs/dbraw/zinc/66/40/27/1078664027.db2.gz YQUGAKVSUWCLEQ-FHLIZLRMSA-N 1 1 400.479 0.660 20 0 HCADMO COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000556364349 1078664187 /nfs/dbraw/zinc/66/41/87/1078664187.db2.gz YQUGAKVSUWCLEQ-JLSDUUJJSA-N 1 1 400.479 0.660 20 0 HCADMO COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000556364350 1078664175 /nfs/dbraw/zinc/66/41/75/1078664175.db2.gz YQUGAKVSUWCLEQ-OLMNPRSZSA-N 1 1 400.479 0.660 20 0 HCADMO COc1cccc(N2C[C@H](NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000556364351 1078664049 /nfs/dbraw/zinc/66/40/49/1078664049.db2.gz YQUGAKVSUWCLEQ-ZTFGCOKTSA-N 1 1 400.479 0.660 20 0 HCADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000556364417 1078667209 /nfs/dbraw/zinc/66/72/09/1078667209.db2.gz ZTJLHZXDNCHMLW-MSOLQXFVSA-N 1 1 405.495 0.768 20 0 HCADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000556364424 1078667325 /nfs/dbraw/zinc/66/73/25/1078667325.db2.gz ZTJLHZXDNCHMLW-QZTJIDSGSA-N 1 1 405.495 0.768 20 0 HCADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000556364425 1078667227 /nfs/dbraw/zinc/66/72/27/1078667227.db2.gz ZTJLHZXDNCHMLW-ROUUACIJSA-N 1 1 405.495 0.768 20 0 HCADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000556364426 1078667180 /nfs/dbraw/zinc/66/71/80/1078667180.db2.gz ZTJLHZXDNCHMLW-ZWKOTPCHSA-N 1 1 405.495 0.768 20 0 HCADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364823 1078666094 /nfs/dbraw/zinc/66/60/94/1078666094.db2.gz KSBOSLCIMVVRDS-MSOLQXFVSA-N 1 1 400.527 0.752 20 0 HCADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364825 1078666176 /nfs/dbraw/zinc/66/61/76/1078666176.db2.gz KSBOSLCIMVVRDS-QZTJIDSGSA-N 1 1 400.527 0.752 20 0 HCADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364827 1078666079 /nfs/dbraw/zinc/66/60/79/1078666079.db2.gz KSBOSLCIMVVRDS-ROUUACIJSA-N 1 1 400.527 0.752 20 0 HCADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 ZINC000556364829 1078666089 /nfs/dbraw/zinc/66/60/89/1078666089.db2.gz KSBOSLCIMVVRDS-ZWKOTPCHSA-N 1 1 400.527 0.752 20 0 HCADMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c1 ZINC000556364846 1078666185 /nfs/dbraw/zinc/66/61/85/1078666185.db2.gz LJUKKKMFOXXAQL-KRWDZBQOSA-N 1 1 409.494 0.614 20 0 HCADMO Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c1 ZINC000556364849 1078666025 /nfs/dbraw/zinc/66/60/25/1078666025.db2.gz LJUKKKMFOXXAQL-QGZVFWFLSA-N 1 1 409.494 0.614 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365258 1078664631 /nfs/dbraw/zinc/66/46/31/1078664631.db2.gz SKRMOVQEZPQYPJ-MOPGFXCFSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365258 1078664626 /nfs/dbraw/zinc/66/46/26/1078664626.db2.gz SKRMOVQEZPQYPJ-MOPGFXCFSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365262 1078664159 /nfs/dbraw/zinc/66/41/59/1078664159.db2.gz SKRMOVQEZPQYPJ-OALUTQOASA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000556365262 1078664156 /nfs/dbraw/zinc/66/41/56/1078664156.db2.gz SKRMOVQEZPQYPJ-OALUTQOASA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365263 1078664734 /nfs/dbraw/zinc/66/47/34/1078664734.db2.gz SKRMOVQEZPQYPJ-RBUKOAKNSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365263 1078664731 /nfs/dbraw/zinc/66/47/31/1078664731.db2.gz SKRMOVQEZPQYPJ-RBUKOAKNSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365264 1078664694 /nfs/dbraw/zinc/66/46/94/1078664694.db2.gz SKRMOVQEZPQYPJ-RTBURBONSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000556365264 1078664692 /nfs/dbraw/zinc/66/46/92/1078664692.db2.gz SKRMOVQEZPQYPJ-RTBURBONSA-N 1 1 414.554 0.583 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 ZINC000556365561 1078654983 /nfs/dbraw/zinc/65/49/83/1078654983.db2.gz YPKZUOYYXMJELY-GOSISDBHSA-N 1 1 414.485 0.949 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1)Cc1ccc(F)cc1 ZINC000556365565 1078654868 /nfs/dbraw/zinc/65/48/68/1078654868.db2.gz YPKZUOYYXMJELY-SFHVURJKSA-N 1 1 414.485 0.949 20 0 HCADMO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556365686 1078655655 /nfs/dbraw/zinc/65/56/55/1078655655.db2.gz YWGNKWOCZKPCKF-MOPGFXCFSA-N 1 1 422.570 0.899 20 0 HCADMO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000556365687 1078655572 /nfs/dbraw/zinc/65/55/72/1078655572.db2.gz YWGNKWOCZKPCKF-OALUTQOASA-N 1 1 422.570 0.899 20 0 HCADMO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556365688 1078655612 /nfs/dbraw/zinc/65/56/12/1078655612.db2.gz YWGNKWOCZKPCKF-RBUKOAKNSA-N 1 1 422.570 0.899 20 0 HCADMO CC(C)OCCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000556365689 1078655555 /nfs/dbraw/zinc/65/55/55/1078655555.db2.gz YWGNKWOCZKPCKF-RTBURBONSA-N 1 1 422.570 0.899 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556366131 1078654500 /nfs/dbraw/zinc/65/45/00/1078654500.db2.gz BIMSEQINNSDMBQ-LEWJYISDSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556366131 1078654496 /nfs/dbraw/zinc/65/44/96/1078654496.db2.gz BIMSEQINNSDMBQ-LEWJYISDSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556366132 1078654936 /nfs/dbraw/zinc/65/49/36/1078654936.db2.gz BIMSEQINNSDMBQ-NHCUHLMSSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000556366132 1078654932 /nfs/dbraw/zinc/65/49/32/1078654932.db2.gz BIMSEQINNSDMBQ-NHCUHLMSSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556366133 1078655067 /nfs/dbraw/zinc/65/50/67/1078655067.db2.gz BIMSEQINNSDMBQ-RTWAWAEBSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556366133 1078655063 /nfs/dbraw/zinc/65/50/63/1078655063.db2.gz BIMSEQINNSDMBQ-RTWAWAEBSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556366134 1078655095 /nfs/dbraw/zinc/65/50/95/1078655095.db2.gz BIMSEQINNSDMBQ-SFTDATJTSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000556366134 1078655087 /nfs/dbraw/zinc/65/50/87/1078655087.db2.gz BIMSEQINNSDMBQ-SFTDATJTSA-N 1 1 413.566 0.663 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556368347 1078668375 /nfs/dbraw/zinc/66/83/75/1078668375.db2.gz BQKKYGRPMUOKRD-MOPGFXCFSA-N 1 1 401.555 0.629 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556368348 1078668485 /nfs/dbraw/zinc/66/84/85/1078668485.db2.gz BQKKYGRPMUOKRD-OALUTQOASA-N 1 1 401.555 0.629 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556368349 1078668398 /nfs/dbraw/zinc/66/83/98/1078668398.db2.gz BQKKYGRPMUOKRD-RBUKOAKNSA-N 1 1 401.555 0.629 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000556368350 1078668934 /nfs/dbraw/zinc/66/89/34/1078668934.db2.gz BQKKYGRPMUOKRD-RTBURBONSA-N 1 1 401.555 0.629 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000556368552 1078668359 /nfs/dbraw/zinc/66/83/59/1078668359.db2.gz DOSUCEWOFORPLN-GOSISDBHSA-N 1 1 412.538 0.547 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1Cn1cccn1)CN1CC[NH+](C)CC1 ZINC000556368553 1078668449 /nfs/dbraw/zinc/66/84/49/1078668449.db2.gz DOSUCEWOFORPLN-SFHVURJKSA-N 1 1 412.538 0.547 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368816 1078667836 /nfs/dbraw/zinc/66/78/36/1078667836.db2.gz FENFUTODBPCDKN-GOSISDBHSA-N 1 1 409.575 0.093 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556368821 1078667787 /nfs/dbraw/zinc/66/77/87/1078667787.db2.gz FENFUTODBPCDKN-SFHVURJKSA-N 1 1 409.575 0.093 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368948 1078667802 /nfs/dbraw/zinc/66/78/02/1078667802.db2.gz FWFVSNKUCSNXGZ-HNNXBMFYSA-N 1 1 407.481 0.083 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000556368950 1078667897 /nfs/dbraw/zinc/66/78/97/1078667897.db2.gz FWFVSNKUCSNXGZ-OAHLLOKOSA-N 1 1 407.481 0.083 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368984 1078667765 /nfs/dbraw/zinc/66/77/65/1078667765.db2.gz GUCSXZDBFKHTFV-CVEARBPZSA-N 1 1 422.492 0.946 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556368985 1078667830 /nfs/dbraw/zinc/66/78/30/1078667830.db2.gz GUCSXZDBFKHTFV-HOTGVXAUSA-N 1 1 422.492 0.946 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368986 1078667910 /nfs/dbraw/zinc/66/79/10/1078667910.db2.gz GUCSXZDBFKHTFV-HZPDHXFCSA-N 1 1 422.492 0.946 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556368987 1078667794 /nfs/dbraw/zinc/66/77/94/1078667794.db2.gz GUCSXZDBFKHTFV-JKSUJKDBSA-N 1 1 422.492 0.946 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369413 1078670735 /nfs/dbraw/zinc/67/07/35/1078670735.db2.gz IPTDMTCFLDQWOD-KRWDZBQOSA-N 1 1 404.559 0.948 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000556369414 1078670700 /nfs/dbraw/zinc/67/07/00/1078670700.db2.gz IPTDMTCFLDQWOD-QGZVFWFLSA-N 1 1 404.559 0.948 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369453 1078670796 /nfs/dbraw/zinc/67/07/96/1078670796.db2.gz JKXUKEMQKXRSRN-GOSISDBHSA-N 1 1 421.611 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000556369454 1078670770 /nfs/dbraw/zinc/67/07/70/1078670770.db2.gz JKXUKEMQKXRSRN-SFHVURJKSA-N 1 1 421.611 0.782 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556369568 1078670282 /nfs/dbraw/zinc/67/02/82/1078670282.db2.gz TWWKBPRBEYUAPL-HKUYNNGSSA-N 1 1 412.538 0.625 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556369570 1078670136 /nfs/dbraw/zinc/67/01/36/1078670136.db2.gz TWWKBPRBEYUAPL-IEBWSBKVSA-N 1 1 412.538 0.625 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556369572 1078670198 /nfs/dbraw/zinc/67/01/98/1078670198.db2.gz TWWKBPRBEYUAPL-MJGOQNOKSA-N 1 1 412.538 0.625 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000556369573 1078670065 /nfs/dbraw/zinc/67/00/65/1078670065.db2.gz TWWKBPRBEYUAPL-PKOBYXMFSA-N 1 1 412.538 0.625 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000556370106 1078668818 /nfs/dbraw/zinc/66/88/18/1078668818.db2.gz YRNALEMRKRQEBT-MOPGFXCFSA-N 1 1 412.538 0.962 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000556370107 1078668918 /nfs/dbraw/zinc/66/89/18/1078668918.db2.gz YRNALEMRKRQEBT-OALUTQOASA-N 1 1 412.538 0.962 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H](C)Cn1cccn1 ZINC000556370108 1078668865 /nfs/dbraw/zinc/66/88/65/1078668865.db2.gz YRNALEMRKRQEBT-RBUKOAKNSA-N 1 1 412.538 0.962 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000556370109 1078668956 /nfs/dbraw/zinc/66/89/56/1078668956.db2.gz YRNALEMRKRQEBT-RTBURBONSA-N 1 1 412.538 0.962 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370154 1078668889 /nfs/dbraw/zinc/66/88/89/1078668889.db2.gz LPTFUOXYHVHCPH-DLBZAZTESA-N 1 1 419.574 0.742 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370166 1078669624 /nfs/dbraw/zinc/66/96/24/1078669624.db2.gz LPTFUOXYHVHCPH-IAGOWNOFSA-N 1 1 419.574 0.742 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370167 1078669503 /nfs/dbraw/zinc/66/95/03/1078669503.db2.gz LPTFUOXYHVHCPH-IRXDYDNUSA-N 1 1 419.574 0.742 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)CC1 ZINC000556370169 1078669463 /nfs/dbraw/zinc/66/94/63/1078669463.db2.gz LPTFUOXYHVHCPH-SJORKVTESA-N 1 1 419.574 0.742 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)Cn1cccn1 ZINC000556370412 1078671935 /nfs/dbraw/zinc/67/19/35/1078671935.db2.gz ZNUSOVDTPIJBPI-GOSISDBHSA-N 1 1 413.526 0.359 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)Cn1cccn1 ZINC000556370414 1078671843 /nfs/dbraw/zinc/67/18/43/1078671843.db2.gz ZNUSOVDTPIJBPI-SFHVURJKSA-N 1 1 413.526 0.359 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000556370496 1078671902 /nfs/dbraw/zinc/67/19/02/1078671902.db2.gz ZXJJRFMVPMOBDU-CRAIPNDOSA-N 1 1 406.575 0.994 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000556370503 1078671816 /nfs/dbraw/zinc/67/18/16/1078671816.db2.gz ZXJJRFMVPMOBDU-MAUKXSAKSA-N 1 1 406.575 0.994 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000556370506 1078671941 /nfs/dbraw/zinc/67/19/41/1078671941.db2.gz ZXJJRFMVPMOBDU-QAPCUYQASA-N 1 1 406.575 0.994 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000556370508 1078672440 /nfs/dbraw/zinc/67/24/40/1078672440.db2.gz ZXJJRFMVPMOBDU-YJBOKZPZSA-N 1 1 406.575 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000556370843 1078671300 /nfs/dbraw/zinc/67/13/00/1078671300.db2.gz ODJDCYJNJZEGBK-GHTZIAJQSA-N 1 1 416.566 0.885 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000556370852 1078671501 /nfs/dbraw/zinc/67/15/01/1078671501.db2.gz ODJDCYJNJZEGBK-NQIIRXRSSA-N 1 1 416.566 0.885 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(CCCO)[C@H]1CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000556370854 1078671431 /nfs/dbraw/zinc/67/14/31/1078671431.db2.gz ODJDCYJNJZEGBK-RXVVDRJESA-N 1 1 416.566 0.885 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(CCCO)[C@@H]1CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000556370855 1078671482 /nfs/dbraw/zinc/67/14/82/1078671482.db2.gz ODJDCYJNJZEGBK-WIYYLYMNSA-N 1 1 416.566 0.885 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000556370950 1078671852 /nfs/dbraw/zinc/67/18/52/1078671852.db2.gz RLXTZYHHFCAVCQ-MVJQZIEYSA-N 1 1 422.595 0.943 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370953 1078671416 /nfs/dbraw/zinc/67/14/16/1078671416.db2.gz OTVRGPYNMILCTA-GOSISDBHSA-N 1 1 410.559 0.032 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000556370957 1078671331 /nfs/dbraw/zinc/67/13/31/1078671331.db2.gz RLXTZYHHFCAVCQ-RIYSCVPDSA-N 1 1 422.595 0.943 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000556370962 1078671367 /nfs/dbraw/zinc/67/13/67/1078671367.db2.gz RLXTZYHHFCAVCQ-WWTSWKCXSA-N 1 1 422.595 0.943 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000556370963 1078671448 /nfs/dbraw/zinc/67/14/48/1078671448.db2.gz OTVRGPYNMILCTA-SFHVURJKSA-N 1 1 410.559 0.032 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000556370966 1078671395 /nfs/dbraw/zinc/67/13/95/1078671395.db2.gz RLXTZYHHFCAVCQ-ZYWUZIHQSA-N 1 1 422.595 0.943 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371436 1078673505 /nfs/dbraw/zinc/67/35/05/1078673505.db2.gz RLUHZLIDNLQTRA-AWEZNQCLSA-N 1 1 418.464 0.451 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000556371439 1078673559 /nfs/dbraw/zinc/67/35/59/1078673559.db2.gz RLUHZLIDNLQTRA-CQSZACIVSA-N 1 1 418.464 0.451 20 0 HCADMO Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1C ZINC000556371460 1078674162 /nfs/dbraw/zinc/67/41/62/1078674162.db2.gz RQRFALHBISXKKZ-GOSISDBHSA-N 1 1 415.582 0.952 20 0 HCADMO Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)c1C ZINC000556371464 1078674170 /nfs/dbraw/zinc/67/41/70/1078674170.db2.gz RQRFALHBISXKKZ-SFHVURJKSA-N 1 1 415.582 0.952 20 0 HCADMO Cc1csc(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000556371485 1078674108 /nfs/dbraw/zinc/67/41/08/1078674108.db2.gz ULDYQPWEJVWHJQ-HNNXBMFYSA-N 1 1 408.572 0.100 20 0 HCADMO Cc1csc(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000556371489 1078674145 /nfs/dbraw/zinc/67/41/45/1078674145.db2.gz ULDYQPWEJVWHJQ-OAHLLOKOSA-N 1 1 408.572 0.100 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371880 1078673615 /nfs/dbraw/zinc/67/36/15/1078673615.db2.gz VXNNLJYQXTVGOR-INIZCTEOSA-N 1 1 422.599 0.490 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556371883 1078673640 /nfs/dbraw/zinc/67/36/40/1078673640.db2.gz VXNNLJYQXTVGOR-MRXNPFEDSA-N 1 1 422.599 0.490 20 0 HCADMO C[C@@H](c1ccccc1)N1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000556371915 1078673420 /nfs/dbraw/zinc/67/34/20/1078673420.db2.gz WAYZUQIUYUMVSZ-KRWDZBQOSA-N 1 1 413.522 0.908 20 0 HCADMO C[C@H](c1ccccc1)N1CCN(C(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC000556371918 1078673434 /nfs/dbraw/zinc/67/34/34/1078673434.db2.gz WAYZUQIUYUMVSZ-QGZVFWFLSA-N 1 1 413.522 0.908 20 0 HCADMO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)cs1 ZINC000556372266 1078673014 /nfs/dbraw/zinc/67/30/14/1078673014.db2.gz XTHHYWZSLCBVMU-INIZCTEOSA-N 1 1 422.599 0.095 20 0 HCADMO Cc1nc(CN2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)cs1 ZINC000556372269 1078672467 /nfs/dbraw/zinc/67/24/67/1078672467.db2.gz XTHHYWZSLCBVMU-MRXNPFEDSA-N 1 1 422.599 0.095 20 0 HCADMO COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372282 1078672342 /nfs/dbraw/zinc/67/23/42/1078672342.db2.gz VMGLVHDYFLQJJZ-DLBZAZTESA-N 1 1 406.527 0.578 20 0 HCADMO COc1cccc(O[C@H](C)CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372285 1078672379 /nfs/dbraw/zinc/67/23/79/1078672379.db2.gz VMGLVHDYFLQJJZ-IAGOWNOFSA-N 1 1 406.527 0.578 20 0 HCADMO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372286 1078672427 /nfs/dbraw/zinc/67/24/27/1078672427.db2.gz VMGLVHDYFLQJJZ-IRXDYDNUSA-N 1 1 406.527 0.578 20 0 HCADMO COc1cccc(O[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372287 1078672481 /nfs/dbraw/zinc/67/24/81/1078672481.db2.gz VMGLVHDYFLQJJZ-SJORKVTESA-N 1 1 406.527 0.578 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372312 1078672413 /nfs/dbraw/zinc/67/24/13/1078672413.db2.gz VVABBUMMUWROCS-CABCVRRESA-N 1 1 407.481 0.129 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372317 1078674785 /nfs/dbraw/zinc/67/47/85/1078674785.db2.gz VVABBUMMUWROCS-GJZGRUSLSA-N 1 1 407.481 0.129 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372320 1078674722 /nfs/dbraw/zinc/67/47/22/1078674722.db2.gz VVABBUMMUWROCS-HUUCEWRRSA-N 1 1 407.481 0.129 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000556372321 1078674926 /nfs/dbraw/zinc/67/49/26/1078674926.db2.gz VVABBUMMUWROCS-LSDHHAIUSA-N 1 1 407.481 0.129 20 0 HCADMO CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556372467 1078676104 /nfs/dbraw/zinc/67/61/04/1078676104.db2.gz WQYTUZATXMGNBC-GOSISDBHSA-N 1 1 423.602 0.531 20 0 HCADMO CCCCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556372471 1078676004 /nfs/dbraw/zinc/67/60/04/1078676004.db2.gz WQYTUZATXMGNBC-SFHVURJKSA-N 1 1 423.602 0.531 20 0 HCADMO CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556372706 1078675530 /nfs/dbraw/zinc/67/55/30/1078675530.db2.gz XDSJVROZRYXYEF-LMDPOFIKSA-N 1 1 424.586 0.957 20 0 HCADMO CCOC(=O)C1CCC(N(CC)C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556372707 1078675299 /nfs/dbraw/zinc/67/52/99/1078675299.db2.gz XDSJVROZRYXYEF-VIQWUECVSA-N 1 1 424.586 0.957 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000556372739 1078675476 /nfs/dbraw/zinc/67/54/76/1078675476.db2.gz XSSTWHXIXIPTOW-AZUAARDMSA-N 1 1 424.586 0.563 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000556372740 1078675566 /nfs/dbraw/zinc/67/55/66/1078675566.db2.gz XSSTWHXIXIPTOW-ICSRJNTNSA-N 1 1 424.586 0.563 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000556372741 1078675420 /nfs/dbraw/zinc/67/54/20/1078675420.db2.gz XSSTWHXIXIPTOW-QUCCMNQESA-N 1 1 424.586 0.563 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000556372742 1078675324 /nfs/dbraw/zinc/67/53/24/1078675324.db2.gz XSSTWHXIXIPTOW-UYAOXDASSA-N 1 1 424.586 0.563 20 0 HCADMO CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372752 1078675403 /nfs/dbraw/zinc/67/54/03/1078675403.db2.gz XZNAWSQGYKOVRQ-CVEARBPZSA-N 1 1 403.527 0.822 20 0 HCADMO CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372753 1078675600 /nfs/dbraw/zinc/67/56/00/1078675600.db2.gz XZNAWSQGYKOVRQ-HOTGVXAUSA-N 1 1 403.527 0.822 20 0 HCADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372754 1078675987 /nfs/dbraw/zinc/67/59/87/1078675987.db2.gz XZNAWSQGYKOVRQ-HZPDHXFCSA-N 1 1 403.527 0.822 20 0 HCADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372755 1078676037 /nfs/dbraw/zinc/67/60/37/1078676037.db2.gz XZNAWSQGYKOVRQ-JKSUJKDBSA-N 1 1 403.527 0.822 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372829 1078676062 /nfs/dbraw/zinc/67/60/62/1078676062.db2.gz YWXSUBNXAMXWAL-KRWDZBQOSA-N 1 1 407.534 0.373 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCN(C)Cc1ccc(F)cc1)C[NH+]1CCN(C)CC1 ZINC000556372830 1078676076 /nfs/dbraw/zinc/67/60/76/1078676076.db2.gz YWXSUBNXAMXWAL-QGZVFWFLSA-N 1 1 407.534 0.373 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372910 1078675451 /nfs/dbraw/zinc/67/54/51/1078675451.db2.gz ZHQSFDIXDYYUFF-KRWDZBQOSA-N 1 1 418.538 0.806 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000556372911 1078675350 /nfs/dbraw/zinc/67/53/50/1078675350.db2.gz ZHQSFDIXDYYUFF-QGZVFWFLSA-N 1 1 418.538 0.806 20 0 HCADMO CC(=O)N1CCc2ccc(S(=O)(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2CC1 ZINC000556377299 1078687900 /nfs/dbraw/zinc/68/79/00/1078687900.db2.gz LVNCCBVSWGKPIA-UHFFFAOYSA-N 1 1 422.551 0.076 20 0 HCADMO O=C(C[N@H+]1CC[C@H](N2CCCC2=O)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000556380686 1078680910 /nfs/dbraw/zinc/68/09/10/1078680910.db2.gz JJUYTOXGYMNMOX-IBGZPJMESA-N 1 1 414.506 0.472 20 0 HCADMO O=C(C[N@@H+]1CC[C@H](N2CCCC2=O)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 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/nfs/dbraw/zinc/70/67/63/1078706763.db2.gz YPRORBBOVFTTAJ-KRWDZBQOSA-N 1 1 413.521 0.924 20 0 HCADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000556394545 1078706834 /nfs/dbraw/zinc/70/68/34/1078706834.db2.gz YPRORBBOVFTTAJ-QGZVFWFLSA-N 1 1 413.521 0.924 20 0 HCADMO CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4[nH+]ccn4C)CC3)cc2CC1 ZINC000556400647 1078710805 /nfs/dbraw/zinc/71/08/05/1078710805.db2.gz UIEBYQFCDGFIII-UHFFFAOYSA-N 1 1 417.535 0.878 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000556408255 1078715035 /nfs/dbraw/zinc/71/50/35/1078715035.db2.gz TYCDAMRFDRDCFJ-AEFFLSMTSA-N 1 1 401.515 0.345 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000556408256 1078714968 /nfs/dbraw/zinc/71/49/68/1078714968.db2.gz TYCDAMRFDRDCFJ-FUHWJXTLSA-N 1 1 401.515 0.345 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000556408257 1078715079 /nfs/dbraw/zinc/71/50/79/1078715079.db2.gz TYCDAMRFDRDCFJ-SJLPKXTDSA-N 1 1 401.515 0.345 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000556408258 1078715017 /nfs/dbraw/zinc/71/50/17/1078715017.db2.gz TYCDAMRFDRDCFJ-WMZOPIPTSA-N 1 1 401.515 0.345 20 0 HCADMO C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000556420178 1078723191 /nfs/dbraw/zinc/72/31/91/1078723191.db2.gz WQHDZDLBDDTPEX-HOTGVXAUSA-N 1 1 405.499 0.472 20 0 HCADMO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cn2)C[C@@H](C)O1 ZINC000556420179 1078723146 /nfs/dbraw/zinc/72/31/46/1078723146.db2.gz WQHDZDLBDDTPEX-HZPDHXFCSA-N 1 1 405.499 0.472 20 0 HCADMO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)cn2)C[C@H](C)O1 ZINC000556420180 1078723170 /nfs/dbraw/zinc/72/31/70/1078723170.db2.gz WQHDZDLBDDTPEX-IYBDPMFKSA-N 1 1 405.499 0.472 20 0 HCADMO Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420576 1078725742 /nfs/dbraw/zinc/72/57/42/1078725742.db2.gz AXNUIZSKRVQBHC-RBDMOPTHSA-N 1 1 411.506 0.693 20 0 HCADMO Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420577 1078725663 /nfs/dbraw/zinc/72/56/63/1078725663.db2.gz AXNUIZSKRVQBHC-UCNVEGJOSA-N 1 1 411.506 0.693 20 0 HCADMO Cn1nccc1[C@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420578 1078725698 /nfs/dbraw/zinc/72/56/98/1078725698.db2.gz AXNUIZSKRVQBHC-WEYGHZABSA-N 1 1 411.506 0.693 20 0 HCADMO Cn1nccc1[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC(=O)N1C ZINC000556420579 1078725634 /nfs/dbraw/zinc/72/56/34/1078725634.db2.gz AXNUIZSKRVQBHC-XJABCFGWSA-N 1 1 411.506 0.693 20 0 HCADMO COC(=O)c1cn(CCNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000556430422 1078733199 /nfs/dbraw/zinc/73/31/99/1078733199.db2.gz MDFBMGZIFSYFOO-INIZCTEOSA-N 1 1 415.498 0.575 20 0 HCADMO COC(=O)c1cn(CCNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000556430428 1078733186 /nfs/dbraw/zinc/73/31/86/1078733186.db2.gz MDFBMGZIFSYFOO-MRXNPFEDSA-N 1 1 415.498 0.575 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1OCC(N)=O ZINC000556435259 1078735765 /nfs/dbraw/zinc/73/57/65/1078735765.db2.gz CGBYGMVWMRRUEL-AWEZNQCLSA-N 1 1 418.494 0.831 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1OCC(N)=O ZINC000556435262 1078735685 /nfs/dbraw/zinc/73/56/85/1078735685.db2.gz CGBYGMVWMRRUEL-CQSZACIVSA-N 1 1 418.494 0.831 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@H+](C2CCC2)C1 ZINC000556435709 1078740275 /nfs/dbraw/zinc/74/02/75/1078740275.db2.gz FVGNMWMNYNJGCV-HNNXBMFYSA-N 1 1 414.510 0.289 20 0 HCADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@H+](C2CCC2)C1 ZINC000556435711 1078740341 /nfs/dbraw/zinc/74/03/41/1078740341.db2.gz FVGNMWMNYNJGCV-OAHLLOKOSA-N 1 1 414.510 0.289 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000556436134 1078739513 /nfs/dbraw/zinc/73/95/13/1078739513.db2.gz IESFXMQHAYJZEM-UHFFFAOYSA-N 1 1 416.522 0.969 20 0 HCADMO COC(=O)c1cn(CCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000556442374 1078744509 /nfs/dbraw/zinc/74/45/09/1078744509.db2.gz LVHTWWAIDUXDIW-XYPWUTKMSA-N 1 1 405.503 0.017 20 0 HCADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000556452478 1078747781 /nfs/dbraw/zinc/74/77/81/1078747781.db2.gz MEAGXJIEKDNFSD-UHFFFAOYSA-N 1 1 420.495 0.565 20 0 HCADMO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C2 ZINC000556452527 1078747743 /nfs/dbraw/zinc/74/77/43/1078747743.db2.gz DRNVLFZUGQYENT-INIZCTEOSA-N 1 1 409.556 0.250 20 0 HCADMO CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC000556452528 1078747677 /nfs/dbraw/zinc/74/76/77/1078747677.db2.gz DRNVLFZUGQYENT-MRXNPFEDSA-N 1 1 409.556 0.250 20 0 HCADMO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@H](C)C[NH+]1CCOCC1)C2 ZINC000556452575 1078747291 /nfs/dbraw/zinc/74/72/91/1078747291.db2.gz GYJUMLXZLWXWOM-HNNXBMFYSA-N 1 1 410.540 0.631 20 0 HCADMO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000556452578 1078747220 /nfs/dbraw/zinc/74/72/20/1078747220.db2.gz GYJUMLXZLWXWOM-OAHLLOKOSA-N 1 1 410.540 0.631 20 0 HCADMO CNS(=O)(=O)c1cccc2c1CCN(C(=O)NC[C@@H]1CCC[N@H+]1CCOC)C2 ZINC000556453231 1078747269 /nfs/dbraw/zinc/74/72/69/1078747269.db2.gz WXUODJJMCJGNJQ-INIZCTEOSA-N 1 1 410.540 0.773 20 0 HCADMO COc1ccc(CCNC(=O)NCc2c[nH+]c3n2CCCC3)cc1S(N)(=O)=O ZINC000556456890 1078756297 /nfs/dbraw/zinc/75/62/97/1078756297.db2.gz XUGQXWCXNQFLNG-UHFFFAOYSA-N 1 1 407.496 0.917 20 0 HCADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CC4(C3)CCOCC4)cc2)CC1 ZINC000556478086 1078773981 /nfs/dbraw/zinc/77/39/81/1078773981.db2.gz UAANGYPTBTUUES-UHFFFAOYSA-N 1 1 416.522 0.890 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)CC1 ZINC000556478528 1078774018 /nfs/dbraw/zinc/77/40/18/1078774018.db2.gz BEJPGXKGCDOWLP-KDURUIRLSA-N 1 1 424.501 0.893 20 0 HCADMO CCC(=O)N1CSC[C@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556481194 1078770092 /nfs/dbraw/zinc/77/00/92/1078770092.db2.gz HBVWSZRTLHWEJC-KRWDZBQOSA-N 1 1 404.536 0.759 20 0 HCADMO CCC(=O)N1CSC[C@@H]1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000556481199 1078770131 /nfs/dbraw/zinc/77/01/31/1078770131.db2.gz HBVWSZRTLHWEJC-QGZVFWFLSA-N 1 1 404.536 0.759 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485641 1078780127 /nfs/dbraw/zinc/78/01/27/1078780127.db2.gz PLDIAXJISYNCNJ-BVYOLEPJSA-N 1 1 414.506 0.715 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485642 1078780177 /nfs/dbraw/zinc/78/01/77/1078780177.db2.gz PLDIAXJISYNCNJ-GFIVTLFCSA-N 1 1 414.506 0.715 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c2ccccc2O1 ZINC000556485643 1078780265 /nfs/dbraw/zinc/78/02/65/1078780265.db2.gz PLDIAXJISYNCNJ-LFEHRJTNSA-N 1 1 414.506 0.715 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c2ccccc2O1 ZINC000556485644 1078780347 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C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000556508925 1078788782 /nfs/dbraw/zinc/78/87/82/1078788782.db2.gz UBXREKVLIJBDRO-HUUCEWRRSA-N 1 1 417.510 0.419 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[N@H+]1CCC[C@H](C)C1 ZINC000556508926 1078788703 /nfs/dbraw/zinc/78/87/03/1078788703.db2.gz UBXREKVLIJBDRO-LSDHHAIUSA-N 1 1 417.510 0.419 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H](C)O1 ZINC000556509931 1078789161 /nfs/dbraw/zinc/78/91/61/1078789161.db2.gz SUVXNSASMUMYBK-BETUJISGSA-N 1 1 406.458 0.666 20 0 HCADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN(C)[C@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510004 1078789412 /nfs/dbraw/zinc/78/94/12/1078789412.db2.gz HHSNNOFBZVGBBN-GOSISDBHSA-N 1 1 410.522 0.683 20 0 HCADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN(C)[C@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510004 1078789402 /nfs/dbraw/zinc/78/94/02/1078789402.db2.gz HHSNNOFBZVGBBN-GOSISDBHSA-N 1 1 410.522 0.683 20 0 HCADMO Cn1cnc2c1c(=O)n(CCCN1CC[N@@H+](C)[C@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510004 1078789395 /nfs/dbraw/zinc/78/93/95/1078789395.db2.gz HHSNNOFBZVGBBN-GOSISDBHSA-N 1 1 410.522 0.683 20 0 HCADMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN(C)[C@@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510005 1078789305 /nfs/dbraw/zinc/78/93/05/1078789305.db2.gz HHSNNOFBZVGBBN-SFHVURJKSA-N 1 1 410.522 0.683 20 0 HCADMO Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN(C)[C@@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510005 1078789297 /nfs/dbraw/zinc/78/92/97/1078789297.db2.gz HHSNNOFBZVGBBN-SFHVURJKSA-N 1 1 410.522 0.683 20 0 HCADMO Cn1cnc2c1c(=O)n(CCCN1CC[N@@H+](C)[C@@H](Cc3ccccc3)C1)c(=O)n2C ZINC000556510005 1078789291 /nfs/dbraw/zinc/78/92/91/1078789291.db2.gz HHSNNOFBZVGBBN-SFHVURJKSA-N 1 1 410.522 0.683 20 0 HCADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556519152 1078792219 /nfs/dbraw/zinc/79/22/19/1078792219.db2.gz GIFDKRCQVMYGQK-SJORKVTESA-N 1 1 415.494 0.268 20 0 HCADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000556519482 1078793224 /nfs/dbraw/zinc/79/32/24/1078793224.db2.gz NYTFSGUXJVZOIU-INIZCTEOSA-N 1 1 404.577 0.543 20 0 HCADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000556519488 1078793192 /nfs/dbraw/zinc/79/31/92/1078793192.db2.gz NYTFSGUXJVZOIU-MRXNPFEDSA-N 1 1 404.577 0.543 20 0 HCADMO Cc1n[nH]cc1C1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000556519978 1078810648 /nfs/dbraw/zinc/81/06/48/1078810648.db2.gz LXZAKLHGLMCGSA-UHFFFAOYSA-N 1 1 405.524 0.904 20 0 HCADMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000556520555 1078810977 /nfs/dbraw/zinc/81/09/77/1078810977.db2.gz RNHRGKAGTFGYFA-HNNXBMFYSA-N 1 1 408.524 0.604 20 0 HCADMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000556520561 1078810866 /nfs/dbraw/zinc/81/08/66/1078810866.db2.gz RNHRGKAGTFGYFA-OAHLLOKOSA-N 1 1 408.524 0.604 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 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/nfs/dbraw/zinc/81/63/42/1078816342.db2.gz LQEGOFLBVGMFRJ-INIZCTEOSA-N 1 1 400.483 0.133 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000556528650 1078816330 /nfs/dbraw/zinc/81/63/30/1078816330.db2.gz LQEGOFLBVGMFRJ-MRXNPFEDSA-N 1 1 400.483 0.133 20 0 HCADMO COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)nn1 ZINC000556529796 1078817263 /nfs/dbraw/zinc/81/72/63/1078817263.db2.gz HIBNVRFTNUPSQK-UHFFFAOYSA-N 1 1 408.846 0.535 20 0 HCADMO Cc1cc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000556542105 1078824601 /nfs/dbraw/zinc/82/46/01/1078824601.db2.gz XTKKMTCLLQOADI-UHFFFAOYSA-N 1 1 412.494 0.300 20 0 HCADMO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)n(C)n1 ZINC000556542712 1078825128 /nfs/dbraw/zinc/82/51/28/1078825128.db2.gz PLROAVHDSWTSDP-UHFFFAOYSA-N 1 1 414.510 0.610 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC000556546578 1078828897 /nfs/dbraw/zinc/82/88/97/1078828897.db2.gz DFWCRCVHPQGKJF-GOSISDBHSA-N 1 1 414.478 0.985 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)C1 ZINC000556546580 1078829020 /nfs/dbraw/zinc/82/90/20/1078829020.db2.gz DFWCRCVHPQGKJF-SFHVURJKSA-N 1 1 414.478 0.985 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000556547276 1078829014 /nfs/dbraw/zinc/82/90/14/1078829014.db2.gz MUJRHZWHQWCJII-IBGZPJMESA-N 1 1 414.491 0.912 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)n(-c2nc3ccccc3s2)n1 ZINC000556547277 1078828906 /nfs/dbraw/zinc/82/89/06/1078828906.db2.gz MUJRHZWHQWCJII-LJQANCHMSA-N 1 1 414.491 0.912 20 0 HCADMO C[C@H](CO)N(C)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000556550277 1078826853 /nfs/dbraw/zinc/82/68/53/1078826853.db2.gz VXMSTXQVQUIZTA-CYBMUJFWSA-N 1 1 410.446 0.264 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)cn2)cc1 ZINC000556551484 1078827473 /nfs/dbraw/zinc/82/74/73/1078827473.db2.gz JAFRWBZQSNMCBQ-UHFFFAOYSA-N 1 1 401.467 0.717 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)cn2)cc1 ZINC000556551484 1078827470 /nfs/dbraw/zinc/82/74/70/1078827470.db2.gz JAFRWBZQSNMCBQ-UHFFFAOYSA-N 1 1 401.467 0.717 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1Cc1ccccc1 ZINC000556553082 1078835181 /nfs/dbraw/zinc/83/51/81/1078835181.db2.gz GNULFDNJIAKVBC-GOSISDBHSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@H]1Cc1ccccc1 ZINC000556553082 1078835179 /nfs/dbraw/zinc/83/51/79/1078835179.db2.gz GNULFDNJIAKVBC-GOSISDBHSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1Cc1ccccc1 ZINC000556553083 1078835211 /nfs/dbraw/zinc/83/52/11/1078835211.db2.gz GNULFDNJIAKVBC-SFHVURJKSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[C@@H]1Cc1ccccc1 ZINC000556553083 1078835208 /nfs/dbraw/zinc/83/52/08/1078835208.db2.gz GNULFDNJIAKVBC-SFHVURJKSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@@H]1Cc1ccccc1 ZINC000556553769 1078831779 /nfs/dbraw/zinc/83/17/79/1078831779.db2.gz OWTSVXNMHJNIBL-IBGZPJMESA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@@H]1Cc1ccccc1 ZINC000556553769 1078831777 /nfs/dbraw/zinc/83/17/77/1078831777.db2.gz OWTSVXNMHJNIBL-IBGZPJMESA-N 1 1 405.462 0.986 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@H]1Cc1ccccc1 ZINC000556553777 1078831808 /nfs/dbraw/zinc/83/18/08/1078831808.db2.gz OWTSVXNMHJNIBL-LJQANCHMSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[C@H]1Cc1ccccc1 ZINC000556553777 1078831805 /nfs/dbraw/zinc/83/18/05/1078831805.db2.gz OWTSVXNMHJNIBL-LJQANCHMSA-N 1 1 405.462 0.986 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCC3(O)CCC3)cc2)CC1 ZINC000556554166 1078831756 /nfs/dbraw/zinc/83/17/56/1078831756.db2.gz DMHQEIYQTIBPLX-UHFFFAOYSA-N 1 1 402.495 0.363 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000556554415 1078831367 /nfs/dbraw/zinc/83/13/67/1078831367.db2.gz SAGJRJRXFLRNJE-UHFFFAOYSA-N 1 1 413.434 0.377 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nn1 ZINC000556554750 1078832733 /nfs/dbraw/zinc/83/27/33/1078832733.db2.gz PUHJNFYWCTWAGN-UHFFFAOYSA-N 1 1 407.471 0.688 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)nn1 ZINC000556554750 1078832728 /nfs/dbraw/zinc/83/27/28/1078832728.db2.gz PUHJNFYWCTWAGN-UHFFFAOYSA-N 1 1 407.471 0.688 20 0 HCADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)c1C ZINC000556554756 1078832832 /nfs/dbraw/zinc/83/28/32/1078832832.db2.gz YABVRQJOXJEIHN-UHFFFAOYSA-N 1 1 405.480 0.691 20 0 HCADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000556554898 1078832457 /nfs/dbraw/zinc/83/24/57/1078832457.db2.gz KESKXIRYHQDPHV-AWEZNQCLSA-N 1 1 400.479 0.781 20 0 HCADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000556554898 1078832454 /nfs/dbraw/zinc/83/24/54/1078832454.db2.gz KESKXIRYHQDPHV-AWEZNQCLSA-N 1 1 400.479 0.781 20 0 HCADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000556554899 1078832368 /nfs/dbraw/zinc/83/23/68/1078832368.db2.gz KESKXIRYHQDPHV-CQSZACIVSA-N 1 1 400.479 0.781 20 0 HCADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 ZINC000556554899 1078832366 /nfs/dbraw/zinc/83/23/66/1078832366.db2.gz KESKXIRYHQDPHV-CQSZACIVSA-N 1 1 400.479 0.781 20 0 HCADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556554993 1078832407 /nfs/dbraw/zinc/83/24/07/1078832407.db2.gz ZRHIRHJBYJWIBV-CYBMUJFWSA-N 1 1 418.469 0.762 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[C@@H]1Cc1ccccc1 ZINC000556555298 1078832143 /nfs/dbraw/zinc/83/21/43/1078832143.db2.gz VUEVYRPCXDLQJC-IBGZPJMESA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[C@@H]1Cc1ccccc1 ZINC000556555298 1078832140 /nfs/dbraw/zinc/83/21/40/1078832140.db2.gz VUEVYRPCXDLQJC-IBGZPJMESA-N 1 1 405.462 0.986 20 0 HCADMO C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[C@H]1Cc1ccccc1 ZINC000556555303 1078832019 /nfs/dbraw/zinc/83/20/19/1078832019.db2.gz VUEVYRPCXDLQJC-LJQANCHMSA-N 1 1 405.462 0.986 20 0 HCADMO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[C@H]1Cc1ccccc1 ZINC000556555303 1078832018 /nfs/dbraw/zinc/83/20/18/1078832018.db2.gz VUEVYRPCXDLQJC-LJQANCHMSA-N 1 1 405.462 0.986 20 0 HCADMO CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000556555500 1078832794 /nfs/dbraw/zinc/83/27/94/1078832794.db2.gz VQPUCUKVTGBIRU-UHFFFAOYSA-N 1 1 403.527 0.398 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCC1(O)CCC1 ZINC000556556028 1078833506 /nfs/dbraw/zinc/83/35/06/1078833506.db2.gz KLTKTFQVDALTRF-UHFFFAOYSA-N 1 1 418.494 0.443 20 0 HCADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556560951 1078836362 /nfs/dbraw/zinc/83/63/62/1078836362.db2.gz OCOWDIPTGXDZKQ-HNNXBMFYSA-N 1 1 417.510 0.419 20 0 HCADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C1 ZINC000556560956 1078836298 /nfs/dbraw/zinc/83/62/98/1078836298.db2.gz OCOWDIPTGXDZKQ-OAHLLOKOSA-N 1 1 417.510 0.419 20 0 HCADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556561785 1078838468 /nfs/dbraw/zinc/83/84/68/1078838468.db2.gz CUEJBFOSQQIDBV-GASCZTMLSA-N 1 1 417.510 0.562 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2c1=O ZINC000556564107 1078839618 /nfs/dbraw/zinc/83/96/18/1078839618.db2.gz STUFKRCNOIGGHG-HNNXBMFYSA-N 1 1 413.478 0.181 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2c1=O ZINC000556564108 1078839570 /nfs/dbraw/zinc/83/95/70/1078839570.db2.gz STUFKRCNOIGGHG-OAHLLOKOSA-N 1 1 413.478 0.181 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC1(CCO)CC1 ZINC000556575401 1078843516 /nfs/dbraw/zinc/84/35/16/1078843516.db2.gz BLFRRUWOLOVESX-UHFFFAOYSA-N 1 1 404.467 0.053 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579704 1078847205 /nfs/dbraw/zinc/84/72/05/1078847205.db2.gz CQVBWMMKTYYRMT-DLBZAZTESA-N 1 1 405.520 0.713 20 0 HCADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579705 1078847337 /nfs/dbraw/zinc/84/73/37/1078847337.db2.gz CQVBWMMKTYYRMT-IAGOWNOFSA-N 1 1 405.520 0.713 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579706 1078847372 /nfs/dbraw/zinc/84/73/72/1078847372.db2.gz CQVBWMMKTYYRMT-IRXDYDNUSA-N 1 1 405.520 0.713 20 0 HCADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000556579707 1078847259 /nfs/dbraw/zinc/84/72/59/1078847259.db2.gz CQVBWMMKTYYRMT-SJORKVTESA-N 1 1 405.520 0.713 20 0 HCADMO CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000556579758 1078847227 /nfs/dbraw/zinc/84/72/27/1078847227.db2.gz AQOPSDLZWNHAAQ-GUDVDZBRSA-N 1 1 410.559 0.314 20 0 HCADMO CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000556579759 1078847317 /nfs/dbraw/zinc/84/73/17/1078847317.db2.gz AQOPSDLZWNHAAQ-IPMKNSEASA-N 1 1 410.559 0.314 20 0 HCADMO CN(C(=O)C(=O)NC[C@H]1COCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000556579760 1078847215 /nfs/dbraw/zinc/84/72/15/1078847215.db2.gz AQOPSDLZWNHAAQ-OTWHNJEPSA-N 1 1 410.559 0.314 20 0 HCADMO CN(C(=O)C(=O)NC[C@@H]1COCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000556579761 1078847304 /nfs/dbraw/zinc/84/73/04/1078847304.db2.gz AQOPSDLZWNHAAQ-QRVBRYPASA-N 1 1 410.559 0.314 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)NC[C@H]1COCCO1 ZINC000556580251 1078844951 /nfs/dbraw/zinc/84/49/51/1078844951.db2.gz FDWXILKJFXHUNH-INIZCTEOSA-N 1 1 424.929 0.500 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000556580252 1078844977 /nfs/dbraw/zinc/84/49/77/1078844977.db2.gz FDWXILKJFXHUNH-MRXNPFEDSA-N 1 1 424.929 0.500 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 ZINC000556583079 1078848821 /nfs/dbraw/zinc/84/88/21/1078848821.db2.gz ZWKUPXXLALXAMC-GOSISDBHSA-N 1 1 418.494 0.463 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000556583086 1078848952 /nfs/dbraw/zinc/84/89/52/1078848952.db2.gz ZWKUPXXLALXAMC-SFHVURJKSA-N 1 1 418.494 0.463 20 0 HCADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1Cc1ccccc1 ZINC000556585689 1078849753 /nfs/dbraw/zinc/84/97/53/1078849753.db2.gz DIOSALWUIJVTKK-CEXWTWQISA-N 1 1 419.547 0.407 20 0 HCADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1Cc1ccccc1 ZINC000556585689 1078849751 /nfs/dbraw/zinc/84/97/51/1078849751.db2.gz DIOSALWUIJVTKK-CEXWTWQISA-N 1 1 419.547 0.407 20 0 HCADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1Cc1ccccc1 ZINC000556585690 1078849742 /nfs/dbraw/zinc/84/97/42/1078849742.db2.gz DIOSALWUIJVTKK-GUDVDZBRSA-N 1 1 419.547 0.407 20 0 HCADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1Cc1ccccc1 ZINC000556585690 1078849740 /nfs/dbraw/zinc/84/97/40/1078849740.db2.gz DIOSALWUIJVTKK-GUDVDZBRSA-N 1 1 419.547 0.407 20 0 HCADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H]1Cc1ccccc1 ZINC000556585691 1078849701 /nfs/dbraw/zinc/84/97/01/1078849701.db2.gz DIOSALWUIJVTKK-QRVBRYPASA-N 1 1 419.547 0.407 20 0 HCADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H]1Cc1ccccc1 ZINC000556585691 1078849699 /nfs/dbraw/zinc/84/96/99/1078849699.db2.gz DIOSALWUIJVTKK-QRVBRYPASA-N 1 1 419.547 0.407 20 0 HCADMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H]1Cc1ccccc1 ZINC000556585692 1078849727 /nfs/dbraw/zinc/84/97/27/1078849727.db2.gz DIOSALWUIJVTKK-QYZOEREBSA-N 1 1 419.547 0.407 20 0 HCADMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@@H]1Cc1ccccc1 ZINC000556585692 1078849724 /nfs/dbraw/zinc/84/97/24/1078849724.db2.gz DIOSALWUIJVTKK-QYZOEREBSA-N 1 1 419.547 0.407 20 0 HCADMO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cn1C ZINC000556587668 1078850508 /nfs/dbraw/zinc/85/05/08/1078850508.db2.gz WJAJLTOBHPZTPM-KRWDZBQOSA-N 1 1 405.524 0.392 20 0 HCADMO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cn1C ZINC000556587668 1078850507 /nfs/dbraw/zinc/85/05/07/1078850507.db2.gz WJAJLTOBHPZTPM-KRWDZBQOSA-N 1 1 405.524 0.392 20 0 HCADMO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cn1C ZINC000556587669 1078850429 /nfs/dbraw/zinc/85/04/29/1078850429.db2.gz WJAJLTOBHPZTPM-QGZVFWFLSA-N 1 1 405.524 0.392 20 0 HCADMO Cc1nc(S(=O)(=O)NCC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cn1C ZINC000556587669 1078850424 /nfs/dbraw/zinc/85/04/24/1078850424.db2.gz WJAJLTOBHPZTPM-QGZVFWFLSA-N 1 1 405.524 0.392 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589894 1078853501 /nfs/dbraw/zinc/85/35/01/1078853501.db2.gz OVVDBLNLUGBBFA-KBXCAEBGSA-N 1 1 417.510 0.985 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589897 1078853435 /nfs/dbraw/zinc/85/34/35/1078853435.db2.gz OVVDBLNLUGBBFA-KDOFPFPSSA-N 1 1 417.510 0.985 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589898 1078853546 /nfs/dbraw/zinc/85/35/46/1078853546.db2.gz OVVDBLNLUGBBFA-KSSFIOAISA-N 1 1 417.510 0.985 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000556589899 1078853459 /nfs/dbraw/zinc/85/34/59/1078853459.db2.gz OVVDBLNLUGBBFA-RDTXWAMCSA-N 1 1 417.510 0.985 20 0 HCADMO COCC(=O)N1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000556596176 1078851450 /nfs/dbraw/zinc/85/14/50/1078851450.db2.gz QIDFGRCFBXIZPV-UHFFFAOYSA-N 1 1 408.474 0.127 20 0 HCADMO COCC(=O)N1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556596494 1078851502 /nfs/dbraw/zinc/85/15/02/1078851502.db2.gz USVZLCHQMSTIGX-IYBDPMFKSA-N 1 1 410.559 0.613 20 0 HCADMO COCC(=O)N1CCC(NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000556596524 1078851129 /nfs/dbraw/zinc/85/11/29/1078851129.db2.gz VFLIIOWGAMDUIN-UHFFFAOYSA-N 1 1 418.494 0.513 20 0 HCADMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCS1(=O)=O ZINC000556617836 1078863781 /nfs/dbraw/zinc/86/37/81/1078863781.db2.gz DQSHEUYNNKLZNK-YOEHRIQHSA-N 1 1 409.508 0.192 20 0 HCADMO CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000556625040 1078873263 /nfs/dbraw/zinc/87/32/63/1078873263.db2.gz BOQRYYXUYBOGDY-UHFFFAOYSA-N 1 1 402.476 0.877 20 0 HCADMO CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000556625040 1078873261 /nfs/dbraw/zinc/87/32/61/1078873261.db2.gz BOQRYYXUYBOGDY-UHFFFAOYSA-N 1 1 402.476 0.877 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000556626434 1078874081 /nfs/dbraw/zinc/87/40/81/1078874081.db2.gz NDWBTLDDNQBALD-CVEARBPZSA-N 1 1 406.531 0.124 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000556626438 1078874158 /nfs/dbraw/zinc/87/41/58/1078874158.db2.gz NDWBTLDDNQBALD-HOTGVXAUSA-N 1 1 406.531 0.124 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000556626439 1078874102 /nfs/dbraw/zinc/87/41/02/1078874102.db2.gz NDWBTLDDNQBALD-HZPDHXFCSA-N 1 1 406.531 0.124 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000556626440 1078874111 /nfs/dbraw/zinc/87/41/11/1078874111.db2.gz NDWBTLDDNQBALD-JKSUJKDBSA-N 1 1 406.531 0.124 20 0 HCADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627899 1078868522 /nfs/dbraw/zinc/86/85/22/1078868522.db2.gz WUVIJDVOWKBPIC-INIZCTEOSA-N 1 1 406.531 0.268 20 0 HCADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556627905 1078868452 /nfs/dbraw/zinc/86/84/52/1078868452.db2.gz WUVIJDVOWKBPIC-MRXNPFEDSA-N 1 1 406.531 0.268 20 0 HCADMO O=C(NCCCOCCc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556631620 1078877026 /nfs/dbraw/zinc/87/70/26/1078877026.db2.gz ONYLMGZCBUYNPX-FQEVSTJZSA-N 1 1 403.523 0.933 20 0 HCADMO O=C(NCCCOCCc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556631621 1078876969 /nfs/dbraw/zinc/87/69/69/1078876969.db2.gz ONYLMGZCBUYNPX-HXUWFJFHSA-N 1 1 403.523 0.933 20 0 HCADMO O=C(NCc1cccc2c1OCCCO2)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556631826 1078877580 /nfs/dbraw/zinc/87/75/80/1078877580.db2.gz AIUSLKZORWLNCM-UHFFFAOYSA-N 1 1 403.479 0.787 20 0 HCADMO CCCCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000556632055 1078877316 /nfs/dbraw/zinc/87/73/16/1078877316.db2.gz WTTAAAIPMLXZQS-UHFFFAOYSA-N 1 1 410.559 0.712 20 0 HCADMO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000556633257 1078877524 /nfs/dbraw/zinc/87/75/24/1078877524.db2.gz HLOXIPNYKSTOSJ-INIZCTEOSA-N 1 1 404.559 0.972 20 0 HCADMO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000556633258 1078877624 /nfs/dbraw/zinc/87/76/24/1078877624.db2.gz HLOXIPNYKSTOSJ-MRXNPFEDSA-N 1 1 404.559 0.972 20 0 HCADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000556633990 1078878792 /nfs/dbraw/zinc/87/87/92/1078878792.db2.gz KVAYDEANFSQZAI-HNNXBMFYSA-N 1 1 405.495 0.768 20 0 HCADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000556633990 1078878790 /nfs/dbraw/zinc/87/87/90/1078878790.db2.gz KVAYDEANFSQZAI-HNNXBMFYSA-N 1 1 405.495 0.768 20 0 HCADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000556633991 1078878868 /nfs/dbraw/zinc/87/88/68/1078878868.db2.gz KVAYDEANFSQZAI-OAHLLOKOSA-N 1 1 405.495 0.768 20 0 HCADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc2c1OCCCO2 ZINC000556633991 1078878867 /nfs/dbraw/zinc/87/88/67/1078878867.db2.gz KVAYDEANFSQZAI-OAHLLOKOSA-N 1 1 405.495 0.768 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccc3c2OCCCO3)CC1 ZINC000556634264 1078878526 /nfs/dbraw/zinc/87/85/26/1078878526.db2.gz NTPGUIBCNFNLQD-UHFFFAOYSA-N 1 1 405.495 0.769 20 0 HCADMO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556635223 1078879215 /nfs/dbraw/zinc/87/92/15/1078879215.db2.gz VGDWPLLMMSPUDG-BBWFWOEESA-N 1 1 404.559 0.923 20 0 HCADMO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556635224 1078879220 /nfs/dbraw/zinc/87/92/20/1078879220.db2.gz VGDWPLLMMSPUDG-IXDOHACOSA-N 1 1 404.559 0.923 20 0 HCADMO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556637797 1078874763 /nfs/dbraw/zinc/87/47/63/1078874763.db2.gz PYPFHFKNCAKMLP-NRFANRHFSA-N 1 1 418.538 0.829 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000556638847 1078883197 /nfs/dbraw/zinc/88/31/97/1078883197.db2.gz MHOVFCJEYPHMNG-LEWJYISDSA-N 1 1 416.566 0.846 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000556638855 1078883127 /nfs/dbraw/zinc/88/31/27/1078883127.db2.gz MHOVFCJEYPHMNG-SFTDATJTSA-N 1 1 416.566 0.846 20 0 HCADMO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000556640455 1078883910 /nfs/dbraw/zinc/88/39/10/1078883910.db2.gz RBLFPBISDCZTLL-GGPKGHCWSA-N 1 1 404.555 0.891 20 0 HCADMO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640457 1078883835 /nfs/dbraw/zinc/88/38/35/1078883835.db2.gz RBLFPBISDCZTLL-NSHGMRRFSA-N 1 1 404.555 0.891 20 0 HCADMO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H](C)O1 ZINC000556640458 1078883878 /nfs/dbraw/zinc/88/38/78/1078883878.db2.gz RBLFPBISDCZTLL-QWFCFKBJSA-N 1 1 404.555 0.891 20 0 HCADMO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H](C)O1 ZINC000556640459 1078883824 /nfs/dbraw/zinc/88/38/24/1078883824.db2.gz RBLFPBISDCZTLL-WSTZPKSXSA-N 1 1 404.555 0.891 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCOC3CCCC3)CC2)CC1 ZINC000556641464 1078884631 /nfs/dbraw/zinc/88/46/31/1078884631.db2.gz WLQOGYNDENEORA-UHFFFAOYSA-N 1 1 422.570 0.855 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCOC3CCCC3)CC2)CC1 ZINC000556641637 1078886569 /nfs/dbraw/zinc/88/65/69/1078886569.db2.gz YRYIGSZQUQRFLQ-UHFFFAOYSA-N 1 1 408.543 0.465 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000556642900 1078887461 /nfs/dbraw/zinc/88/74/61/1078887461.db2.gz YLBOLYJVGSOQSX-NRFANRHFSA-N 1 1 416.566 0.846 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000556642902 1078887369 /nfs/dbraw/zinc/88/73/69/1078887369.db2.gz YLBOLYJVGSOQSX-OAQYLSRUSA-N 1 1 416.566 0.846 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000556644382 1078887779 /nfs/dbraw/zinc/88/77/79/1078887779.db2.gz FDXDJMLTNUBYNE-UHFFFAOYSA-N 1 1 410.522 0.677 20 0 HCADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 ZINC000556645800 1078889451 /nfs/dbraw/zinc/88/94/51/1078889451.db2.gz OMBYGNRQLKMESJ-KDURUIRLSA-N 1 1 404.559 0.797 20 0 HCADMO CCN(CCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC000556647910 1078882538 /nfs/dbraw/zinc/88/25/38/1078882538.db2.gz CDJZZTUGWPMOAI-IYBDPMFKSA-N 1 1 418.604 0.647 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000556649154 1078882828 /nfs/dbraw/zinc/88/28/28/1078882828.db2.gz JWLUGOKBOQXQCK-UHFFFAOYSA-N 1 1 403.405 0.514 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000556652079 1078897069 /nfs/dbraw/zinc/89/70/69/1078897069.db2.gz XVCUHCSULDAXSB-INIZCTEOSA-N 1 1 424.567 0.337 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000556652079 1078897065 /nfs/dbraw/zinc/89/70/65/1078897065.db2.gz XVCUHCSULDAXSB-INIZCTEOSA-N 1 1 424.567 0.337 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000556652080 1078897107 /nfs/dbraw/zinc/89/71/07/1078897107.db2.gz XVCUHCSULDAXSB-MRXNPFEDSA-N 1 1 424.567 0.337 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000556652080 1078897103 /nfs/dbraw/zinc/89/71/03/1078897103.db2.gz XVCUHCSULDAXSB-MRXNPFEDSA-N 1 1 424.567 0.337 20 0 HCADMO Cc1ccc([C@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000556653431 1078897538 /nfs/dbraw/zinc/89/75/38/1078897538.db2.gz GWKALSXPLPGNDI-IBGZPJMESA-N 1 1 403.571 0.856 20 0 HCADMO Cc1ccc([C@@H](CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000556653442 1078897599 /nfs/dbraw/zinc/89/75/99/1078897599.db2.gz GWKALSXPLPGNDI-LJQANCHMSA-N 1 1 403.571 0.856 20 0 HCADMO O=C(COc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1)NC1CC1 ZINC000556655103 1078891180 /nfs/dbraw/zinc/89/11/80/1078891180.db2.gz KUNLCTMSBAHRHH-KRWDZBQOSA-N 1 1 414.506 0.356 20 0 HCADMO O=C(COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1)NC1CC1 ZINC000556655114 1078891163 /nfs/dbraw/zinc/89/11/63/1078891163.db2.gz KUNLCTMSBAHRHH-QGZVFWFLSA-N 1 1 414.506 0.356 20 0 HCADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000556655166 1078891288 /nfs/dbraw/zinc/89/12/88/1078891288.db2.gz LEADYKRITSSJBC-UHFFFAOYSA-N 1 1 416.522 0.557 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)nc2c1 ZINC000556655926 1078891637 /nfs/dbraw/zinc/89/16/37/1078891637.db2.gz QHBNDNBCSZFOLQ-UHFFFAOYSA-N 1 1 400.527 0.743 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)nc2c1 ZINC000556655926 1078891632 /nfs/dbraw/zinc/89/16/32/1078891632.db2.gz QHBNDNBCSZFOLQ-UHFFFAOYSA-N 1 1 400.527 0.743 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000556683347 1078907831 /nfs/dbraw/zinc/90/78/31/1078907831.db2.gz MWAGOCXSTLDLEY-CYBMUJFWSA-N 1 1 412.512 0.437 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000556683347 1078907825 /nfs/dbraw/zinc/90/78/25/1078907825.db2.gz MWAGOCXSTLDLEY-CYBMUJFWSA-N 1 1 412.512 0.437 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000556683348 1078907748 /nfs/dbraw/zinc/90/77/48/1078907748.db2.gz MWAGOCXSTLDLEY-ZDUSSCGKSA-N 1 1 412.512 0.437 20 0 HCADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000556683348 1078907745 /nfs/dbraw/zinc/90/77/45/1078907745.db2.gz MWAGOCXSTLDLEY-ZDUSSCGKSA-N 1 1 412.512 0.437 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000556683387 1078907800 /nfs/dbraw/zinc/90/78/00/1078907800.db2.gz ZNROKNSYTJZLOE-INIZCTEOSA-N 1 1 418.494 0.415 20 0 HCADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000556683387 1078907794 /nfs/dbraw/zinc/90/77/94/1078907794.db2.gz ZNROKNSYTJZLOE-INIZCTEOSA-N 1 1 418.494 0.415 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000556683388 1078907887 /nfs/dbraw/zinc/90/78/87/1078907887.db2.gz ZNROKNSYTJZLOE-MRXNPFEDSA-N 1 1 418.494 0.415 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000556683388 1078907882 /nfs/dbraw/zinc/90/78/82/1078907882.db2.gz ZNROKNSYTJZLOE-MRXNPFEDSA-N 1 1 418.494 0.415 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1CC)CC2 ZINC000556683411 1078907095 /nfs/dbraw/zinc/90/70/95/1078907095.db2.gz ILUTZOCSGRSUBN-HNNXBMFYSA-N 1 1 408.524 0.427 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1CC)CC2 ZINC000556683411 1078907088 /nfs/dbraw/zinc/90/70/88/1078907088.db2.gz ILUTZOCSGRSUBN-HNNXBMFYSA-N 1 1 408.524 0.427 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1CC)CC2 ZINC000556683412 1078907006 /nfs/dbraw/zinc/90/70/06/1078907006.db2.gz ILUTZOCSGRSUBN-OAHLLOKOSA-N 1 1 408.524 0.427 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](C)C[C@H]1CC)CC2 ZINC000556683412 1078906999 /nfs/dbraw/zinc/90/69/99/1078906999.db2.gz ILUTZOCSGRSUBN-OAHLLOKOSA-N 1 1 408.524 0.427 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000556683494 1078907167 /nfs/dbraw/zinc/90/71/67/1078907167.db2.gz KULCXNGBXCSFKI-BFYDXBDKSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000556683494 1078907161 /nfs/dbraw/zinc/90/71/61/1078907161.db2.gz KULCXNGBXCSFKI-BFYDXBDKSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556683495 1078907063 /nfs/dbraw/zinc/90/70/63/1078907063.db2.gz KULCXNGBXCSFKI-HLLBOEOZSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556683495 1078907055 /nfs/dbraw/zinc/90/70/55/1078907055.db2.gz KULCXNGBXCSFKI-HLLBOEOZSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556683496 1078907112 /nfs/dbraw/zinc/90/71/12/1078907112.db2.gz KULCXNGBXCSFKI-UXLLHSPISA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000556683496 1078907110 /nfs/dbraw/zinc/90/71/10/1078907110.db2.gz KULCXNGBXCSFKI-UXLLHSPISA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000556683497 1078907308 /nfs/dbraw/zinc/90/73/08/1078907308.db2.gz KULCXNGBXCSFKI-YQQAZPJKSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000556683497 1078907302 /nfs/dbraw/zinc/90/73/02/1078907302.db2.gz KULCXNGBXCSFKI-YQQAZPJKSA-N 1 1 420.514 0.010 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 ZINC000556683509 1078907331 /nfs/dbraw/zinc/90/73/31/1078907331.db2.gz PGQSHQIBLBRYHM-INIZCTEOSA-N 1 1 418.494 0.844 20 0 HCADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 ZINC000556683509 1078907324 /nfs/dbraw/zinc/90/73/24/1078907324.db2.gz PGQSHQIBLBRYHM-INIZCTEOSA-N 1 1 418.494 0.844 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 ZINC000556683510 1078907285 /nfs/dbraw/zinc/90/72/85/1078907285.db2.gz PGQSHQIBLBRYHM-MRXNPFEDSA-N 1 1 418.494 0.844 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 ZINC000556683510 1078907276 /nfs/dbraw/zinc/90/72/76/1078907276.db2.gz PGQSHQIBLBRYHM-MRXNPFEDSA-N 1 1 418.494 0.844 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000556683535 1078907204 /nfs/dbraw/zinc/90/72/04/1078907204.db2.gz WWNGXAFPJYLGQT-AWEZNQCLSA-N 1 1 412.487 0.857 20 0 HCADMO CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000556683535 1078907195 /nfs/dbraw/zinc/90/71/95/1078907195.db2.gz WWNGXAFPJYLGQT-AWEZNQCLSA-N 1 1 412.487 0.857 20 0 HCADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000556683536 1078907861 /nfs/dbraw/zinc/90/78/61/1078907861.db2.gz WWNGXAFPJYLGQT-CQSZACIVSA-N 1 1 412.487 0.857 20 0 HCADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000556683536 1078907858 /nfs/dbraw/zinc/90/78/58/1078907858.db2.gz WWNGXAFPJYLGQT-CQSZACIVSA-N 1 1 412.487 0.857 20 0 HCADMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000556684591 1078908256 /nfs/dbraw/zinc/90/82/56/1078908256.db2.gz 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CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000556854793 1079008361 /nfs/dbraw/zinc/00/83/61/1079008361.db2.gz QGPZXUHKNQYIID-UHFFFAOYSA-N 1 1 406.531 0.956 20 0 HCADMO CCN(C(=O)C[N@@H+](CC)CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000556857766 1079009734 /nfs/dbraw/zinc/00/97/34/1079009734.db2.gz CCBQDOQLVDGNGW-UHFFFAOYSA-N 1 1 403.483 0.901 20 0 HCADMO CCN(C(=O)C[N@H+](CC)CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000556857766 1079009726 /nfs/dbraw/zinc/00/97/26/1079009726.db2.gz CCBQDOQLVDGNGW-UHFFFAOYSA-N 1 1 403.483 0.901 20 0 HCADMO COc1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)ccc1OCC(=O)N1CCCC1 ZINC000556894743 1079023234 /nfs/dbraw/zinc/02/32/34/1079023234.db2.gz DUNLZHTWQUVDKP-INIZCTEOSA-N 1 1 411.524 0.820 20 0 HCADMO COc1cc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)ccc1OCC(=O)N1CCCC1 ZINC000556894743 1079023229 /nfs/dbraw/zinc/02/32/29/1079023229.db2.gz DUNLZHTWQUVDKP-INIZCTEOSA-N 1 1 411.524 0.820 20 0 HCADMO COc1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)ccc1OCC(=O)N1CCCC1 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FMNIJMQRCFKTAT-QGZVFWFLSA-N 1 1 400.479 0.297 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927916 1079039312 /nfs/dbraw/zinc/03/93/12/1079039312.db2.gz WCZJFDZTNRSSIC-CXUOOODFSA-N 1 1 422.570 0.709 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927922 1079039440 /nfs/dbraw/zinc/03/94/40/1079039440.db2.gz WCZJFDZTNRSSIC-IAFLDTSXSA-N 1 1 422.570 0.709 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927925 1079039474 /nfs/dbraw/zinc/03/94/74/1079039474.db2.gz WCZJFDZTNRSSIC-QGLXBCBXSA-N 1 1 422.570 0.709 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1=O ZINC000556927927 1079039180 /nfs/dbraw/zinc/03/91/80/1079039180.db2.gz WCZJFDZTNRSSIC-YBXZHIRMSA-N 1 1 422.570 0.709 20 0 HCADMO CCc1c(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)cnn1-c1ccccn1 ZINC000556928375 1079039457 /nfs/dbraw/zinc/03/94/57/1079039457.db2.gz AFTNPNWJXOFZQP-INIZCTEOSA-N 1 1 414.510 0.739 20 0 HCADMO CCc1c(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)cnn1-c1ccccn1 ZINC000556928376 1079039380 /nfs/dbraw/zinc/03/93/80/1079039380.db2.gz AFTNPNWJXOFZQP-MRXNPFEDSA-N 1 1 414.510 0.739 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cncn2-c2ccc(F)cc2)CC1=O ZINC000556928379 1079039323 /nfs/dbraw/zinc/03/93/23/1079039323.db2.gz AINDUCFGQNCPRA-INIZCTEOSA-N 1 1 403.458 0.920 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cncn2-c2ccc(F)cc2)CC1=O ZINC000556928380 1079039239 /nfs/dbraw/zinc/03/92/39/1079039239.db2.gz AINDUCFGQNCPRA-MRXNPFEDSA-N 1 1 403.458 0.920 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928543 1079039281 /nfs/dbraw/zinc/03/92/81/1079039281.db2.gz DRTXGORXOPJYIM-AWEZNQCLSA-N 1 1 421.473 0.264 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(N3CCNC3=O)ccc2F)CC1=O ZINC000556928545 1079039419 /nfs/dbraw/zinc/03/94/19/1079039419.db2.gz DRTXGORXOPJYIM-CQSZACIVSA-N 1 1 421.473 0.264 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928549 1079039261 /nfs/dbraw/zinc/03/92/61/1079039261.db2.gz DYTDTFUXKYYIAB-INIZCTEOSA-N 1 1 413.478 0.141 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1=O ZINC000556928571 1079039295 /nfs/dbraw/zinc/03/92/95/1079039295.db2.gz DYTDTFUXKYYIAB-MRXNPFEDSA-N 1 1 413.478 0.141 20 0 HCADMO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)c1 ZINC000556928776 1079039360 /nfs/dbraw/zinc/03/93/60/1079039360.db2.gz JTDXUCAEYQWQER-GOSISDBHSA-N 1 1 404.511 0.687 20 0 HCADMO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)c1 ZINC000556928778 1079039155 /nfs/dbraw/zinc/03/91/55/1079039155.db2.gz JTDXUCAEYQWQER-SFHVURJKSA-N 1 1 404.511 0.687 20 0 HCADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1=O ZINC000556929097 1079037185 /nfs/dbraw/zinc/03/71/85/1079037185.db2.gz VSQXEXHRBPAODL-KRWDZBQOSA-N 1 1 411.524 0.140 20 0 HCADMO 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/nfs/dbraw/zinc/06/22/78/1079062278.db2.gz MQOJAYRIEHYBDV-GJZGRUSLSA-N 1 1 407.519 0.612 20 0 HCADMO CN(C)c1noc([C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)n1 ZINC000556979869 1079062117 /nfs/dbraw/zinc/06/21/17/1079062117.db2.gz MQOJAYRIEHYBDV-HUUCEWRRSA-N 1 1 407.519 0.612 20 0 HCADMO CN(C)c1noc([C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)n1 ZINC000556979870 1079062132 /nfs/dbraw/zinc/06/21/32/1079062132.db2.gz MQOJAYRIEHYBDV-LSDHHAIUSA-N 1 1 407.519 0.612 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CN3CCCC3=O)CC2)cc1 ZINC000556984023 1079065480 /nfs/dbraw/zinc/06/54/80/1079065480.db2.gz FCSAXWWMQICYSW-KRWDZBQOSA-N 1 1 416.522 0.857 20 0 HCADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C)CN3CCCC3=O)CC2)cc1 ZINC000556984023 1079065468 /nfs/dbraw/zinc/06/54/68/1079065468.db2.gz FCSAXWWMQICYSW-KRWDZBQOSA-N 1 1 416.522 0.857 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C)CN3CCCC3=O)CC2)cc1 ZINC000556984024 1079065428 /nfs/dbraw/zinc/06/54/28/1079065428.db2.gz FCSAXWWMQICYSW-QGZVFWFLSA-N 1 1 416.522 0.857 20 0 HCADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C)CN3CCCC3=O)CC2)cc1 ZINC000556984024 1079065419 /nfs/dbraw/zinc/06/54/19/1079065419.db2.gz FCSAXWWMQICYSW-QGZVFWFLSA-N 1 1 416.522 0.857 20 0 HCADMO COC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000556984838 1079060077 /nfs/dbraw/zinc/06/00/77/1079060077.db2.gz FPUSFFAEAQHOIK-INIZCTEOSA-N 1 1 417.506 0.935 20 0 HCADMO COC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000556984838 1079060074 /nfs/dbraw/zinc/06/00/74/1079060074.db2.gz FPUSFFAEAQHOIK-INIZCTEOSA-N 1 1 417.506 0.935 20 0 HCADMO COC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000556984853 1079060200 /nfs/dbraw/zinc/06/02/00/1079060200.db2.gz FPUSFFAEAQHOIK-MRXNPFEDSA-N 1 1 417.506 0.935 20 0 HCADMO COC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000556984853 1079060194 /nfs/dbraw/zinc/06/01/94/1079060194.db2.gz FPUSFFAEAQHOIK-MRXNPFEDSA-N 1 1 417.506 0.935 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2)CCO1 ZINC000556984880 1079061379 /nfs/dbraw/zinc/06/13/79/1079061379.db2.gz FYBWNPWCNAITGB-INIZCTEOSA-N 1 1 418.538 0.802 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2)CCO1 ZINC000556984880 1079061372 /nfs/dbraw/zinc/06/13/72/1079061372.db2.gz FYBWNPWCNAITGB-INIZCTEOSA-N 1 1 418.538 0.802 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2)CCO1 ZINC000556984882 1079061356 /nfs/dbraw/zinc/06/13/56/1079061356.db2.gz FYBWNPWCNAITGB-MRXNPFEDSA-N 1 1 418.538 0.802 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)c2)CCO1 ZINC000556984882 1079061351 /nfs/dbraw/zinc/06/13/51/1079061351.db2.gz FYBWNPWCNAITGB-MRXNPFEDSA-N 1 1 418.538 0.802 20 0 HCADMO CC(C)COc1cccc(CNC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000556985046 1079066362 /nfs/dbraw/zinc/06/63/62/1079066362.db2.gz GXVKSJWPFUYSGC-UHFFFAOYSA-N 1 1 418.538 0.960 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CCC3)c2)CCO1 ZINC000556985155 1079066383 /nfs/dbraw/zinc/06/63/83/1079066383.db2.gz HUOWAEUHQIBAHS-BCOMRZATSA-N 1 1 421.563 0.941 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CCC3)c2)CCO1 ZINC000556985155 1079066377 /nfs/dbraw/zinc/06/63/77/1079066377.db2.gz HUOWAEUHQIBAHS-BCOMRZATSA-N 1 1 421.563 0.941 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CCC3)c2)CCO1 ZINC000556985158 1079066348 /nfs/dbraw/zinc/06/63/48/1079066348.db2.gz HUOWAEUHQIBAHS-GUNSETOZSA-N 1 1 421.563 0.941 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CCC3)c2)CCO1 ZINC000556985158 1079066342 /nfs/dbraw/zinc/06/63/42/1079066342.db2.gz HUOWAEUHQIBAHS-GUNSETOZSA-N 1 1 421.563 0.941 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CCC3)c2)CCO1 ZINC000556985162 1079066329 /nfs/dbraw/zinc/06/63/29/1079066329.db2.gz HUOWAEUHQIBAHS-OFJJUDJNSA-N 1 1 421.563 0.941 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CCC3)c2)CCO1 ZINC000556985162 1079066322 /nfs/dbraw/zinc/06/63/22/1079066322.db2.gz HUOWAEUHQIBAHS-OFJJUDJNSA-N 1 1 421.563 0.941 20 0 HCADMO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556985464 1079065957 /nfs/dbraw/zinc/06/59/57/1079065957.db2.gz JODMDECOPOUECQ-APWZRJJASA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556985464 1079065952 /nfs/dbraw/zinc/06/59/52/1079065952.db2.gz JODMDECOPOUECQ-APWZRJJASA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556985465 1079065873 /nfs/dbraw/zinc/06/58/73/1079065873.db2.gz JODMDECOPOUECQ-LPHOPBHVSA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556985465 1079065867 /nfs/dbraw/zinc/06/58/67/1079065867.db2.gz JODMDECOPOUECQ-LPHOPBHVSA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556985466 1079065816 /nfs/dbraw/zinc/06/58/16/1079065816.db2.gz JODMDECOPOUECQ-QFBILLFUSA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556985466 1079065809 /nfs/dbraw/zinc/06/58/09/1079065809.db2.gz JODMDECOPOUECQ-QFBILLFUSA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556985467 1079065370 /nfs/dbraw/zinc/06/53/70/1079065370.db2.gz JODMDECOPOUECQ-VQIMIIECSA-N 1 1 416.522 0.651 20 0 HCADMO CCC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556985467 1079065365 /nfs/dbraw/zinc/06/53/65/1079065365.db2.gz JODMDECOPOUECQ-VQIMIIECSA-N 1 1 416.522 0.651 20 0 HCADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000556985996 1079066288 /nfs/dbraw/zinc/06/62/88/1079066288.db2.gz MOBKJPSPYPTOBR-UHFFFAOYSA-N 1 1 416.588 0.615 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)c2)CCO1 ZINC000556986121 1079067522 /nfs/dbraw/zinc/06/75/22/1079067522.db2.gz MQVJXEDPGKNQSS-HBIPHATFSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)c2)CCO1 ZINC000556986121 1079067515 /nfs/dbraw/zinc/06/75/15/1079067515.db2.gz MQVJXEDPGKNQSS-HBIPHATFSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)c2)CCO1 ZINC000556986124 1079067670 /nfs/dbraw/zinc/06/76/70/1079067670.db2.gz MQVJXEDPGKNQSS-JMGYQRAPSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@](C)=O)CC3)c2)CCO1 ZINC000556986124 1079067661 /nfs/dbraw/zinc/06/76/61/1079067661.db2.gz MQVJXEDPGKNQSS-JMGYQRAPSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)c2)CCO1 ZINC000556986126 1079067555 /nfs/dbraw/zinc/06/75/55/1079067555.db2.gz MQVJXEDPGKNQSS-OHZJNBGDSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)c2)CCO1 ZINC000556986126 1079067546 /nfs/dbraw/zinc/06/75/46/1079067546.db2.gz MQVJXEDPGKNQSS-OHZJNBGDSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)c2)CCO1 ZINC000556986129 1079067719 /nfs/dbraw/zinc/06/77/19/1079067719.db2.gz MQVJXEDPGKNQSS-WQIZZMQYSA-N 1 1 407.536 0.551 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([S@@](C)=O)CC3)c2)CCO1 ZINC000556986129 1079067713 /nfs/dbraw/zinc/06/77/13/1079067713.db2.gz MQVJXEDPGKNQSS-WQIZZMQYSA-N 1 1 407.536 0.551 20 0 HCADMO COCCN1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000556986343 1079067241 /nfs/dbraw/zinc/06/72/41/1079067241.db2.gz RUKDOVHSIHQPTN-GOSISDBHSA-N 1 1 418.538 0.314 20 0 HCADMO COCCN1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000556986343 1079067237 /nfs/dbraw/zinc/06/72/37/1079067237.db2.gz RUKDOVHSIHQPTN-GOSISDBHSA-N 1 1 418.538 0.314 20 0 HCADMO COCCN1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000556986344 1079067224 /nfs/dbraw/zinc/06/72/24/1079067224.db2.gz RUKDOVHSIHQPTN-SFHVURJKSA-N 1 1 418.538 0.314 20 0 HCADMO COCCN1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000556986344 1079067220 /nfs/dbraw/zinc/06/72/20/1079067220.db2.gz RUKDOVHSIHQPTN-SFHVURJKSA-N 1 1 418.538 0.314 20 0 HCADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000556986509 1079066785 /nfs/dbraw/zinc/06/67/85/1079066785.db2.gz QFJYVADYGRRDOI-APWZRJJASA-N 1 1 416.522 0.764 20 0 HCADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000556986510 1079066758 /nfs/dbraw/zinc/06/67/58/1079066758.db2.gz QFJYVADYGRRDOI-LPHOPBHVSA-N 1 1 416.522 0.764 20 0 HCADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000556986512 1079066999 /nfs/dbraw/zinc/06/69/99/1079066999.db2.gz QFJYVADYGRRDOI-QFBILLFUSA-N 1 1 416.522 0.764 20 0 HCADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000556986513 1079066873 /nfs/dbraw/zinc/06/68/73/1079066873.db2.gz QFJYVADYGRRDOI-VQIMIIECSA-N 1 1 416.522 0.764 20 0 HCADMO CCN1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC000556986572 1079066979 /nfs/dbraw/zinc/06/69/79/1079066979.db2.gz QZNVLHBKQSGYDV-INIZCTEOSA-N 1 1 402.495 0.214 20 0 HCADMO CCN1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1=O ZINC000556986572 1079066976 /nfs/dbraw/zinc/06/69/76/1079066976.db2.gz QZNVLHBKQSGYDV-INIZCTEOSA-N 1 1 402.495 0.214 20 0 HCADMO CCN1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC000556986576 1079066992 /nfs/dbraw/zinc/06/69/92/1079066992.db2.gz QZNVLHBKQSGYDV-MRXNPFEDSA-N 1 1 402.495 0.214 20 0 HCADMO CCN1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1=O ZINC000556986576 1079066988 /nfs/dbraw/zinc/06/69/88/1079066988.db2.gz QZNVLHBKQSGYDV-MRXNPFEDSA-N 1 1 402.495 0.214 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556986774 1079066852 /nfs/dbraw/zinc/06/68/52/1079066852.db2.gz SNEYPIIRQDYKLR-HKUYNNGSSA-N 1 1 416.522 0.521 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556986781 1079066429 /nfs/dbraw/zinc/06/64/29/1079066429.db2.gz SNEYPIIRQDYKLR-IEBWSBKVSA-N 1 1 416.522 0.521 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556986784 1079066235 /nfs/dbraw/zinc/06/62/35/1079066235.db2.gz SNEYPIIRQDYKLR-MJGOQNOKSA-N 1 1 416.522 0.521 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000556986786 1079066411 /nfs/dbraw/zinc/06/64/11/1079066411.db2.gz SNEYPIIRQDYKLR-PKOBYXMFSA-N 1 1 416.522 0.521 20 0 HCADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556986913 1079067010 /nfs/dbraw/zinc/06/70/10/1079067010.db2.gz UIJMUSBIBXZYGJ-CRAIPNDOSA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556986913 1079067008 /nfs/dbraw/zinc/06/70/08/1079067008.db2.gz UIJMUSBIBXZYGJ-CRAIPNDOSA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556986915 1079066931 /nfs/dbraw/zinc/06/69/31/1079066931.db2.gz UIJMUSBIBXZYGJ-MAUKXSAKSA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556986915 1079066926 /nfs/dbraw/zinc/06/69/26/1079066926.db2.gz UIJMUSBIBXZYGJ-MAUKXSAKSA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556986916 1079066826 /nfs/dbraw/zinc/06/68/26/1079066826.db2.gz UIJMUSBIBXZYGJ-QAPCUYQASA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000556986916 1079066817 /nfs/dbraw/zinc/06/68/17/1079066817.db2.gz UIJMUSBIBXZYGJ-QAPCUYQASA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556986917 1079066956 /nfs/dbraw/zinc/06/69/56/1079066956.db2.gz UIJMUSBIBXZYGJ-YJBOKZPZSA-N 1 1 417.510 0.053 20 0 HCADMO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000556986917 1079066950 /nfs/dbraw/zinc/06/69/50/1079066950.db2.gz UIJMUSBIBXZYGJ-YJBOKZPZSA-N 1 1 417.510 0.053 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556987840 1079068102 /nfs/dbraw/zinc/06/81/02/1079068102.db2.gz BLCHTIRBFHRFDK-KURKYZTESA-N 1 1 407.559 0.131 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000556987842 1079067930 /nfs/dbraw/zinc/06/79/30/1079067930.db2.gz BLCHTIRBFHRFDK-OKZBNKHCSA-N 1 1 407.559 0.131 20 0 HCADMO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000556989216 1079069794 /nfs/dbraw/zinc/06/97/94/1079069794.db2.gz PIUAHHPVMOBTOM-HNNXBMFYSA-N 1 1 412.494 0.466 20 0 HCADMO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000556989216 1079069790 /nfs/dbraw/zinc/06/97/90/1079069790.db2.gz PIUAHHPVMOBTOM-HNNXBMFYSA-N 1 1 412.494 0.466 20 0 HCADMO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)C2 ZINC000556989217 1079069860 /nfs/dbraw/zinc/06/98/60/1079069860.db2.gz PIUAHHPVMOBTOM-OAHLLOKOSA-N 1 1 412.494 0.466 20 0 HCADMO Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)C2 ZINC000556989217 1079069857 /nfs/dbraw/zinc/06/98/57/1079069857.db2.gz PIUAHHPVMOBTOM-OAHLLOKOSA-N 1 1 412.494 0.466 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000556990656 1079070222 /nfs/dbraw/zinc/07/02/22/1079070222.db2.gz TZWFIHHMBRXDOY-DLBZAZTESA-N 1 1 416.522 0.651 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000556990656 1079070216 /nfs/dbraw/zinc/07/02/16/1079070216.db2.gz TZWFIHHMBRXDOY-DLBZAZTESA-N 1 1 416.522 0.651 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000556990657 1079070091 /nfs/dbraw/zinc/07/00/91/1079070091.db2.gz TZWFIHHMBRXDOY-IAGOWNOFSA-N 1 1 416.522 0.651 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000556990657 1079070082 /nfs/dbraw/zinc/07/00/82/1079070082.db2.gz TZWFIHHMBRXDOY-IAGOWNOFSA-N 1 1 416.522 0.651 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000556990658 1079070250 /nfs/dbraw/zinc/07/02/50/1079070250.db2.gz TZWFIHHMBRXDOY-IRXDYDNUSA-N 1 1 416.522 0.651 20 0 HCADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000556990658 1079070248 /nfs/dbraw/zinc/07/02/48/1079070248.db2.gz TZWFIHHMBRXDOY-IRXDYDNUSA-N 1 1 416.522 0.651 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000556990660 1079070681 /nfs/dbraw/zinc/07/06/81/1079070681.db2.gz TZWFIHHMBRXDOY-SJORKVTESA-N 1 1 416.522 0.651 20 0 HCADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000556990660 1079070674 /nfs/dbraw/zinc/07/06/74/1079070674.db2.gz TZWFIHHMBRXDOY-SJORKVTESA-N 1 1 416.522 0.651 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000556991491 1079071041 /nfs/dbraw/zinc/07/10/41/1079071041.db2.gz XHGAGIZYOAXAFY-ATZDWAIDSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000556991491 1079071034 /nfs/dbraw/zinc/07/10/34/1079071034.db2.gz XHGAGIZYOAXAFY-ATZDWAIDSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000556991493 1079070936 /nfs/dbraw/zinc/07/09/36/1079070936.db2.gz XHGAGIZYOAXAFY-IPELMVKDSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000556991493 1079070930 /nfs/dbraw/zinc/07/09/30/1079070930.db2.gz XHGAGIZYOAXAFY-IPELMVKDSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000556991496 1079070966 /nfs/dbraw/zinc/07/09/66/1079070966.db2.gz XHGAGIZYOAXAFY-KFKAGJAMSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000556991496 1079070958 /nfs/dbraw/zinc/07/09/58/1079070958.db2.gz XHGAGIZYOAXAFY-KFKAGJAMSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000556991498 1079071078 /nfs/dbraw/zinc/07/10/78/1079071078.db2.gz XHGAGIZYOAXAFY-LZQZEXGQSA-N 1 1 416.522 0.554 20 0 HCADMO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000556991498 1079071073 /nfs/dbraw/zinc/07/10/73/1079071073.db2.gz XHGAGIZYOAXAFY-LZQZEXGQSA-N 1 1 416.522 0.554 20 0 HCADMO Cn1cnc2c1c(=O)n(CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c(=O)n2C ZINC000556991809 1079070997 /nfs/dbraw/zinc/07/09/97/1079070997.db2.gz VTBQDEBSWJDGQE-UHFFFAOYSA-N 1 1 402.499 0.228 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000556992106 1079063401 /nfs/dbraw/zinc/06/34/01/1079063401.db2.gz YHMZQXBFJCAJCF-GFCCVEGCSA-N 1 1 414.466 0.149 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000556992117 1079063455 /nfs/dbraw/zinc/06/34/55/1079063455.db2.gz YHMZQXBFJCAJCF-LBPRGKRZSA-N 1 1 414.466 0.149 20 0 HCADMO CCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000556994670 1079064563 /nfs/dbraw/zinc/06/45/63/1079064563.db2.gz VHBGZUHOWBOITA-KRWDZBQOSA-N 1 1 417.510 0.252 20 0 HCADMO CCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000556994673 1079064506 /nfs/dbraw/zinc/06/45/06/1079064506.db2.gz VHBGZUHOWBOITA-QGZVFWFLSA-N 1 1 417.510 0.252 20 0 HCADMO O=C(NC1CCN(c2nccs2)CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556996175 1079073332 /nfs/dbraw/zinc/07/33/32/1079073332.db2.gz DOMRRLZFGYKWOP-UHFFFAOYSA-N 1 1 407.540 0.551 20 0 HCADMO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000556996192 1079073271 /nfs/dbraw/zinc/07/32/71/1079073271.db2.gz FGNPGAJHVWXAIQ-ABHNRTSZSA-N 1 1 419.570 0.178 20 0 HCADMO CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000556996193 1079073393 /nfs/dbraw/zinc/07/33/93/1079073393.db2.gz FGNPGAJHVWXAIQ-DAWZGUTISA-N 1 1 419.570 0.178 20 0 HCADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000556996268 1079073345 /nfs/dbraw/zinc/07/33/45/1079073345.db2.gz HGSHYLLGDXNUPA-CYBMUJFWSA-N 1 1 400.508 0.693 20 0 HCADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000556996269 1079073442 /nfs/dbraw/zinc/07/34/42/1079073442.db2.gz HGSHYLLGDXNUPA-ZDUSSCGKSA-N 1 1 400.508 0.693 20 0 HCADMO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556997281 1079073800 /nfs/dbraw/zinc/07/38/00/1079073800.db2.gz BJPOJTGYAMFXLK-ABHNRTSZSA-N 1 1 407.559 0.036 20 0 HCADMO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556997283 1079073898 /nfs/dbraw/zinc/07/38/98/1079073898.db2.gz BJPOJTGYAMFXLK-DAWZGUTISA-N 1 1 407.559 0.036 20 0 HCADMO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000556999209 1079075871 /nfs/dbraw/zinc/07/58/71/1079075871.db2.gz GLAACWGQFOAFTI-FGTMMUONSA-N 1 1 419.570 0.178 20 0 HCADMO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000556999210 1079075909 /nfs/dbraw/zinc/07/59/09/1079075909.db2.gz GLAACWGQFOAFTI-KURKYZTESA-N 1 1 419.570 0.178 20 0 HCADMO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000556999211 1079075742 /nfs/dbraw/zinc/07/57/42/1079075742.db2.gz GLAACWGQFOAFTI-KZNAEPCWSA-N 1 1 419.570 0.178 20 0 HCADMO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000556999212 1079075820 /nfs/dbraw/zinc/07/58/20/1079075820.db2.gz GLAACWGQFOAFTI-SQNIBIBYSA-N 1 1 419.570 0.178 20 0 HCADMO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556999503 1079075359 /nfs/dbraw/zinc/07/53/59/1079075359.db2.gz BVGPQIJHGKHDAC-KRWDZBQOSA-N 1 1 404.486 0.831 20 0 HCADMO COc1ccc(F)cc1CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000556999520 1079075493 /nfs/dbraw/zinc/07/54/93/1079075493.db2.gz BVGPQIJHGKHDAC-QGZVFWFLSA-N 1 1 404.486 0.831 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@H](C)C1 ZINC000556999724 1079075513 /nfs/dbraw/zinc/07/55/13/1079075513.db2.gz UCGNEELBNJABRG-AQEOSJORSA-N 1 1 410.559 0.661 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@@H](C)C1 ZINC000556999726 1079075377 /nfs/dbraw/zinc/07/53/77/1079075377.db2.gz UCGNEELBNJABRG-BFWZDYSYSA-N 1 1 410.559 0.661 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@H](C)C1 ZINC000556999728 1079075346 /nfs/dbraw/zinc/07/53/46/1079075346.db2.gz UCGNEELBNJABRG-CPFNUKBASA-N 1 1 410.559 0.661 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)[C@@H](C)C1 ZINC000556999729 1079075442 /nfs/dbraw/zinc/07/54/42/1079075442.db2.gz UCGNEELBNJABRG-FCCDEINASA-N 1 1 410.559 0.661 20 0 HCADMO O=C(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000556999758 1079075330 /nfs/dbraw/zinc/07/53/30/1079075330.db2.gz KZHHXASQFFXQLN-KRWDZBQOSA-N 1 1 413.522 0.194 20 0 HCADMO O=C(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000556999761 1079075530 /nfs/dbraw/zinc/07/55/30/1079075530.db2.gz KZHHXASQFFXQLN-QGZVFWFLSA-N 1 1 413.522 0.194 20 0 HCADMO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557000409 1079076533 /nfs/dbraw/zinc/07/65/33/1079076533.db2.gz OWRJZDZGPKESAX-AQOAWAETSA-N 1 1 401.507 0.908 20 0 HCADMO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557000418 1079076470 /nfs/dbraw/zinc/07/64/70/1079076470.db2.gz OWRJZDZGPKESAX-CECAUBDESA-N 1 1 401.507 0.908 20 0 HCADMO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557000419 1079076605 /nfs/dbraw/zinc/07/66/05/1079076605.db2.gz OWRJZDZGPKESAX-SGXKBVARSA-N 1 1 401.507 0.908 20 0 HCADMO C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557000422 1079076548 /nfs/dbraw/zinc/07/65/48/1079076548.db2.gz OWRJZDZGPKESAX-ZJBJCVSYSA-N 1 1 401.507 0.908 20 0 HCADMO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000557000641 1079076584 /nfs/dbraw/zinc/07/65/84/1079076584.db2.gz HJYWJTJDAVQFDZ-GOSISDBHSA-N 1 1 416.522 0.367 20 0 HCADMO O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000557000643 1079076368 /nfs/dbraw/zinc/07/63/68/1079076368.db2.gz HJYWJTJDAVQFDZ-SFHVURJKSA-N 1 1 416.522 0.367 20 0 HCADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000557000795 1079076411 /nfs/dbraw/zinc/07/64/11/1079076411.db2.gz UBSNDLIAQCGAAE-AWEZNQCLSA-N 1 1 406.449 0.453 20 0 HCADMO 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CN(c1ncc(Br)cn1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000597949030 1073398664 /nfs/dbraw/zinc/39/86/64/1073398664.db2.gz ZFXSQOBXYZNTPR-UHFFFAOYSA-N 1 1 411.348 0.914 20 0 HCADMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c(C)c1 ZINC000597983673 1073406478 /nfs/dbraw/zinc/40/64/78/1073406478.db2.gz CEPUSTNPZCWFGL-PMACEKPBSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c(C)c1 ZINC000597983676 1073406512 /nfs/dbraw/zinc/40/65/12/1073406512.db2.gz CEPUSTNPZCWFGL-UXHICEINSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c(C)c1 ZINC000597983678 1073406562 /nfs/dbraw/zinc/40/65/62/1073406562.db2.gz CEPUSTNPZCWFGL-VQTJNVASSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1ccc(OC[C@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c(C)c1 ZINC000597983681 1073406501 /nfs/dbraw/zinc/40/65/01/1073406501.db2.gz CEPUSTNPZCWFGL-WOJBJXKFSA-N 1 1 405.539 0.908 20 0 HCADMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000597984124 1073405740 /nfs/dbraw/zinc/40/57/40/1073405740.db2.gz VDLRGIXWMQFFSP-KRWDZBQOSA-N 1 1 414.506 0.538 20 0 HCADMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000597984125 1073406522 /nfs/dbraw/zinc/40/65/22/1073406522.db2.gz VDLRGIXWMQFFSP-QGZVFWFLSA-N 1 1 414.506 0.538 20 0 HCADMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000597988975 1073407800 /nfs/dbraw/zinc/40/78/00/1073407800.db2.gz AICBOXPRXYOGEF-PMACEKPBSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000597988976 1073407680 /nfs/dbraw/zinc/40/76/80/1073407680.db2.gz AICBOXPRXYOGEF-UXHICEINSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000597988977 1073407871 /nfs/dbraw/zinc/40/78/71/1073407871.db2.gz AICBOXPRXYOGEF-VQTJNVASSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000597988978 1073407775 /nfs/dbraw/zinc/40/77/75/1073407775.db2.gz AICBOXPRXYOGEF-WOJBJXKFSA-N 1 1 405.539 0.908 20 0 HCADMO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000597989047 1073407733 /nfs/dbraw/zinc/40/77/33/1073407733.db2.gz KCFMLXQPOLAYFU-INIZCTEOSA-N 1 1 418.494 0.609 20 0 HCADMO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000597989048 1073407972 /nfs/dbraw/zinc/40/79/72/1073407972.db2.gz KCFMLXQPOLAYFU-MRXNPFEDSA-N 1 1 418.494 0.609 20 0 HCADMO CCOc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989055 1073407829 /nfs/dbraw/zinc/40/78/29/1073407829.db2.gz KSRKKTWDSYHKLS-MOPGFXCFSA-N 1 1 421.538 0.690 20 0 HCADMO CCOc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989056 1073408515 /nfs/dbraw/zinc/40/85/15/1073408515.db2.gz KSRKKTWDSYHKLS-OALUTQOASA-N 1 1 421.538 0.690 20 0 HCADMO CCOc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989057 1073408638 /nfs/dbraw/zinc/40/86/38/1073408638.db2.gz KSRKKTWDSYHKLS-RBUKOAKNSA-N 1 1 421.538 0.690 20 0 HCADMO CCOc1ccc(OC[C@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989058 1073408585 /nfs/dbraw/zinc/40/85/85/1073408585.db2.gz KSRKKTWDSYHKLS-RTBURBONSA-N 1 1 421.538 0.690 20 0 HCADMO COc1ccc(COC[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989477 1073407720 /nfs/dbraw/zinc/40/77/20/1073407720.db2.gz SCBWNKHHWMSMMD-AZUAARDMSA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989537 1073407064 /nfs/dbraw/zinc/40/70/64/1073407064.db2.gz SCBWNKHHWMSMMD-ICSRJNTNSA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989538 1073407194 /nfs/dbraw/zinc/40/71/94/1073407194.db2.gz SCBWNKHHWMSMMD-QUCCMNQESA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccc(COC[C@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1 ZINC000597989539 1073407033 /nfs/dbraw/zinc/40/70/33/1073407033.db2.gz SCBWNKHHWMSMMD-UYAOXDASSA-N 1 1 421.538 0.438 20 0 HCADMO CC(C)(CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)NS(C)(=O)=O ZINC000598047854 1073412457 /nfs/dbraw/zinc/41/24/57/1073412457.db2.gz OVRYGIYIUUEUPV-HNNXBMFYSA-N 1 1 411.528 0.586 20 0 HCADMO CC(C)(CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)NS(C)(=O)=O ZINC000598047854 1073412450 /nfs/dbraw/zinc/41/24/50/1073412450.db2.gz OVRYGIYIUUEUPV-HNNXBMFYSA-N 1 1 411.528 0.586 20 0 HCADMO CC(C)(CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)NS(C)(=O)=O ZINC000598047855 1073412577 /nfs/dbraw/zinc/41/25/77/1073412577.db2.gz OVRYGIYIUUEUPV-OAHLLOKOSA-N 1 1 411.528 0.586 20 0 HCADMO CC(C)(CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)NS(C)(=O)=O ZINC000598047855 1073412574 /nfs/dbraw/zinc/41/25/74/1073412574.db2.gz OVRYGIYIUUEUPV-OAHLLOKOSA-N 1 1 411.528 0.586 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC000598052805 1073413991 /nfs/dbraw/zinc/41/39/91/1073413991.db2.gz CYXYFQYUVAYAPY-UHFFFAOYSA-N 1 1 410.544 0.649 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1 ZINC000598052872 1073413969 /nfs/dbraw/zinc/41/39/69/1073413969.db2.gz ICBFQNLCIAZZHC-UHFFFAOYSA-N 1 1 402.455 0.417 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2CN2C(=O)CNC2=O)CC1 ZINC000598052974 1073414150 /nfs/dbraw/zinc/41/41/50/1073414150.db2.gz YNTODQQWUVARHF-UHFFFAOYSA-N 1 1 416.482 0.413 20 0 HCADMO C[C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000598064450 1073415552 /nfs/dbraw/zinc/41/55/52/1073415552.db2.gz GAMBYLCWZCZYJX-INIZCTEOSA-N 1 1 411.572 0.824 20 0 HCADMO C[C@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000598064451 1073415682 /nfs/dbraw/zinc/41/56/82/1073415682.db2.gz GAMBYLCWZCZYJX-MRXNPFEDSA-N 1 1 411.572 0.824 20 0 HCADMO CC(C)(CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NS(C)(=O)=O ZINC000598064646 1073414627 /nfs/dbraw/zinc/41/46/27/1073414627.db2.gz VAWLNTCGTFDXPD-UHFFFAOYSA-N 1 1 415.535 0.575 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)cc2)CC1 ZINC000598065682 1073415522 /nfs/dbraw/zinc/41/55/22/1073415522.db2.gz BUBSPUGFVRAQMM-UHFFFAOYSA-N 1 1 411.572 0.561 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCOC[C@@H]3CCOC3)cc2)CC1 ZINC000598065686 1073415462 /nfs/dbraw/zinc/41/54/62/1073415462.db2.gz CVHNNYGYHPDBLP-GOSISDBHSA-N 1 1 404.511 0.927 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NCCOC[C@H]3CCOC3)cc2)CC1 ZINC000598065687 1073415611 /nfs/dbraw/zinc/41/56/11/1073415611.db2.gz CVHNNYGYHPDBLP-SFHVURJKSA-N 1 1 404.511 0.927 20 0 HCADMO CC(C)(CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)NS(C)(=O)=O ZINC000598087219 1073418284 /nfs/dbraw/zinc/41/82/84/1073418284.db2.gz QQZXGAQFJAUQJE-UHFFFAOYSA-N 1 1 412.560 0.221 20 0 HCADMO COCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000598109688 1073421465 /nfs/dbraw/zinc/42/14/65/1073421465.db2.gz CLGBDAGAGXGJFO-UHFFFAOYSA-N 1 1 413.544 0.218 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 ZINC000598119514 1073424038 /nfs/dbraw/zinc/42/40/38/1073424038.db2.gz KXNIYXCBKNCKIM-ADKAHSJRSA-N 1 1 402.605 0.874 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 ZINC000598119515 1073423644 /nfs/dbraw/zinc/42/36/44/1073423644.db2.gz KXNIYXCBKNCKIM-LXPRWKDFSA-N 1 1 402.605 0.874 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122261 1073419133 /nfs/dbraw/zinc/41/91/33/1073419133.db2.gz JPHZXKMJPWNVHY-DJIMGWMZSA-N 1 1 408.568 0.842 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122262 1073419192 /nfs/dbraw/zinc/41/91/92/1073419192.db2.gz JPHZXKMJPWNVHY-OIISXLGYSA-N 1 1 408.568 0.842 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122263 1073419018 /nfs/dbraw/zinc/41/90/18/1073419018.db2.gz JPHZXKMJPWNVHY-UAGQMJEPSA-N 1 1 408.568 0.842 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)CC1=O ZINC000598122265 1073419140 /nfs/dbraw/zinc/41/91/40/1073419140.db2.gz JPHZXKMJPWNVHY-USXIJHARSA-N 1 1 408.568 0.842 20 0 HCADMO COc1ccccc1COC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000598141493 1073424886 /nfs/dbraw/zinc/42/48/86/1073424886.db2.gz OIBFTSNVQAKRCJ-AZUAARDMSA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000598141494 1073424913 /nfs/dbraw/zinc/42/49/13/1073424913.db2.gz OIBFTSNVQAKRCJ-ICSRJNTNSA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000598141495 1073424273 /nfs/dbraw/zinc/42/42/73/1073424273.db2.gz OIBFTSNVQAKRCJ-QUCCMNQESA-N 1 1 421.538 0.438 20 0 HCADMO COc1ccccc1COC[C@H](O)C[NH+]1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000598141496 1073424713 /nfs/dbraw/zinc/42/47/13/1073424713.db2.gz OIBFTSNVQAKRCJ-UYAOXDASSA-N 1 1 421.538 0.438 20 0 HCADMO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000598141681 1073424602 /nfs/dbraw/zinc/42/46/02/1073424602.db2.gz ZOFFNNQYRJCDRC-PMACEKPBSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000598141682 1073424206 /nfs/dbraw/zinc/42/42/06/1073424206.db2.gz ZOFFNNQYRJCDRC-UXHICEINSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000598141683 1073424942 /nfs/dbraw/zinc/42/49/42/1073424942.db2.gz ZOFFNNQYRJCDRC-VQTJNVASSA-N 1 1 405.539 0.908 20 0 HCADMO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1 ZINC000598141685 1073424541 /nfs/dbraw/zinc/42/45/41/1073424541.db2.gz ZOFFNNQYRJCDRC-WOJBJXKFSA-N 1 1 405.539 0.908 20 0 HCADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Nc3cnn(CCO)c3)c2)CC1 ZINC000598206756 1073432168 /nfs/dbraw/zinc/43/21/68/1073432168.db2.gz UIJWQOUDAAWBEG-UHFFFAOYSA-N 1 1 422.511 0.846 20 0 HCADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)Nc3cnn(CCO)c3)c2)CC1 ZINC000598206756 1073432156 /nfs/dbraw/zinc/43/21/56/1073432156.db2.gz UIJWQOUDAAWBEG-UHFFFAOYSA-N 1 1 422.511 0.846 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)Nc2cnn(CCO)c2)cc1 ZINC000598206761 1073431664 /nfs/dbraw/zinc/43/16/64/1073431664.db2.gz UJXFRTATQABMQA-UHFFFAOYSA-N 1 1 415.498 0.730 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000598229359 1073433463 /nfs/dbraw/zinc/43/34/63/1073433463.db2.gz GWSIDHVCAXPOIQ-UHFFFAOYSA-N 1 1 424.567 0.843 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000598230388 1073434401 /nfs/dbraw/zinc/43/44/01/1073434401.db2.gz GODXZFRIGXPIMD-UHFFFAOYSA-N 1 1 415.416 0.894 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000598230532 1073433778 /nfs/dbraw/zinc/43/37/78/1073433778.db2.gz KVOLYNCSWLWOLZ-KRWDZBQOSA-N 1 1 423.583 0.973 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000598230533 1073433597 /nfs/dbraw/zinc/43/35/97/1073433597.db2.gz KVOLYNCSWLWOLZ-QGZVFWFLSA-N 1 1 423.583 0.973 20 0 HCADMO C[NH+]1CCN([C@@H](CNC(=O)NCC(C)(C)NS(C)(=O)=O)c2cccs2)CC1 ZINC000598236778 1073434574 /nfs/dbraw/zinc/43/45/74/1073434574.db2.gz 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Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000598935879 1073511325 /nfs/dbraw/zinc/51/13/25/1073511325.db2.gz XSHGZDOHGMMHPB-SFHVURJKSA-N 1 1 417.554 0.959 20 0 HCADMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000598937845 1073511282 /nfs/dbraw/zinc/51/12/82/1073511282.db2.gz QFANGIPNZDCYCW-ROUUACIJSA-N 1 1 424.567 0.218 20 0 HCADMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000598937845 1073511265 /nfs/dbraw/zinc/51/12/65/1073511265.db2.gz QFANGIPNZDCYCW-ROUUACIJSA-N 1 1 424.567 0.218 20 0 HCADMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000598937852 1073512057 /nfs/dbraw/zinc/51/20/57/1073512057.db2.gz QFANGIPNZDCYCW-ZWKOTPCHSA-N 1 1 424.567 0.218 20 0 HCADMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000598937852 1073512040 /nfs/dbraw/zinc/51/20/40/1073512040.db2.gz QFANGIPNZDCYCW-ZWKOTPCHSA-N 1 1 424.567 0.218 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000598981473 1073516775 /nfs/dbraw/zinc/51/67/75/1073516775.db2.gz NYXLNFXQIJSXGS-AWEZNQCLSA-N 1 1 424.527 0.426 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000598981473 1073516765 /nfs/dbraw/zinc/51/67/65/1073516765.db2.gz NYXLNFXQIJSXGS-AWEZNQCLSA-N 1 1 424.527 0.426 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000598984636 1073517342 /nfs/dbraw/zinc/51/73/42/1073517342.db2.gz PARQXCLPVALVIX-INIZCTEOSA-N 1 1 405.524 0.821 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000598984636 1073517323 /nfs/dbraw/zinc/51/73/23/1073517323.db2.gz PARQXCLPVALVIX-INIZCTEOSA-N 1 1 405.524 0.821 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000599029604 1073525823 /nfs/dbraw/zinc/52/58/23/1073525823.db2.gz WKGWNNTXXPNPQF-GGPKGHCWSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000599029604 1073525811 /nfs/dbraw/zinc/52/58/11/1073525811.db2.gz WKGWNNTXXPNPQF-GGPKGHCWSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000599029604 1073525795 /nfs/dbraw/zinc/52/57/95/1073525795.db2.gz WKGWNNTXXPNPQF-GGPKGHCWSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000599029604 1073525785 /nfs/dbraw/zinc/52/57/85/1073525785.db2.gz WKGWNNTXXPNPQF-GGPKGHCWSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000599029606 1073525923 /nfs/dbraw/zinc/52/59/23/1073525923.db2.gz WKGWNNTXXPNPQF-NLWGTHIKSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000599029606 1073525910 /nfs/dbraw/zinc/52/59/10/1073525910.db2.gz WKGWNNTXXPNPQF-NLWGTHIKSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000599029606 1073525897 /nfs/dbraw/zinc/52/58/97/1073525897.db2.gz WKGWNNTXXPNPQF-NLWGTHIKSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000599029606 1073525884 /nfs/dbraw/zinc/52/58/84/1073525884.db2.gz WKGWNNTXXPNPQF-NLWGTHIKSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000599029607 1073526649 /nfs/dbraw/zinc/52/66/49/1073526649.db2.gz WKGWNNTXXPNPQF-NSHGMRRFSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000599029607 1073526641 /nfs/dbraw/zinc/52/66/41/1073526641.db2.gz WKGWNNTXXPNPQF-NSHGMRRFSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000599029607 1073526631 /nfs/dbraw/zinc/52/66/31/1073526631.db2.gz WKGWNNTXXPNPQF-NSHGMRRFSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000599029607 1073526620 /nfs/dbraw/zinc/52/66/20/1073526620.db2.gz WKGWNNTXXPNPQF-NSHGMRRFSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000599029608 1073526510 /nfs/dbraw/zinc/52/65/10/1073526510.db2.gz WKGWNNTXXPNPQF-QWFCFKBJSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000599029608 1073526499 /nfs/dbraw/zinc/52/64/99/1073526499.db2.gz WKGWNNTXXPNPQF-QWFCFKBJSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000599029608 1073526486 /nfs/dbraw/zinc/52/64/86/1073526486.db2.gz WKGWNNTXXPNPQF-QWFCFKBJSA-N 1 1 402.539 0.977 20 0 HCADMO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000599029608 1073526475 /nfs/dbraw/zinc/52/64/75/1073526475.db2.gz WKGWNNTXXPNPQF-QWFCFKBJSA-N 1 1 402.539 0.977 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000599040139 1073533985 /nfs/dbraw/zinc/53/39/85/1073533985.db2.gz MLRONXYHUZGEJB-BZSNNMDCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000599040139 1073533958 /nfs/dbraw/zinc/53/39/58/1073533958.db2.gz MLRONXYHUZGEJB-BZSNNMDCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000599040139 1073533938 /nfs/dbraw/zinc/53/39/38/1073533938.db2.gz MLRONXYHUZGEJB-BZSNNMDCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000599040139 1073533922 /nfs/dbraw/zinc/53/39/22/1073533922.db2.gz MLRONXYHUZGEJB-BZSNNMDCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000599040140 1073533451 /nfs/dbraw/zinc/53/34/51/1073533451.db2.gz MLRONXYHUZGEJB-FGTMMUONSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000599040140 1073533440 /nfs/dbraw/zinc/53/34/40/1073533440.db2.gz MLRONXYHUZGEJB-FGTMMUONSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000599040140 1073533423 /nfs/dbraw/zinc/53/34/23/1073533423.db2.gz MLRONXYHUZGEJB-FGTMMUONSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000599040140 1073533385 /nfs/dbraw/zinc/53/33/85/1073533385.db2.gz MLRONXYHUZGEJB-FGTMMUONSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000599040141 1073533212 /nfs/dbraw/zinc/53/32/12/1073533212.db2.gz MLRONXYHUZGEJB-OKZBNKHCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000599040141 1073533193 /nfs/dbraw/zinc/53/31/93/1073533193.db2.gz MLRONXYHUZGEJB-OKZBNKHCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000599040141 1073533176 /nfs/dbraw/zinc/53/31/76/1073533176.db2.gz MLRONXYHUZGEJB-OKZBNKHCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000599040141 1073533159 /nfs/dbraw/zinc/53/31/59/1073533159.db2.gz MLRONXYHUZGEJB-OKZBNKHCSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000599040143 1073533721 /nfs/dbraw/zinc/53/37/21/1073533721.db2.gz MLRONXYHUZGEJB-SQNIBIBYSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000599040143 1073533698 /nfs/dbraw/zinc/53/36/98/1073533698.db2.gz MLRONXYHUZGEJB-SQNIBIBYSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000599040143 1073533669 /nfs/dbraw/zinc/53/36/69/1073533669.db2.gz MLRONXYHUZGEJB-SQNIBIBYSA-N 1 1 424.567 0.217 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000599040143 1073533644 /nfs/dbraw/zinc/53/36/44/1073533644.db2.gz MLRONXYHUZGEJB-SQNIBIBYSA-N 1 1 424.567 0.217 20 0 HCADMO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000599097901 1073555769 /nfs/dbraw/zinc/55/57/69/1073555769.db2.gz PZUXHAYYANOVSY-UHFFFAOYSA-N 1 1 414.510 0.742 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000599112015 1073563048 /nfs/dbraw/zinc/56/30/48/1073563048.db2.gz VIITTZUMTAJVQL-NRFANRHFSA-N 1 1 401.555 0.644 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC000599112017 1073562956 /nfs/dbraw/zinc/56/29/56/1073562956.db2.gz VIITTZUMTAJVQL-OAQYLSRUSA-N 1 1 401.555 0.644 20 0 HCADMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000599112032 1073562908 /nfs/dbraw/zinc/56/29/08/1073562908.db2.gz XTZZVJPZAQOFLA-UHFFFAOYSA-N 1 1 402.499 0.502 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)n2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120713 1073564172 /nfs/dbraw/zinc/56/41/72/1073564172.db2.gz DLDLEWGDMVDTFP-HKUYNNGSSA-N 1 1 413.526 0.972 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)n2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120714 1073564239 /nfs/dbraw/zinc/56/42/39/1073564239.db2.gz DLDLEWGDMVDTFP-IEBWSBKVSA-N 1 1 413.526 0.972 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)n2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120715 1073565011 /nfs/dbraw/zinc/56/50/11/1073565011.db2.gz DLDLEWGDMVDTFP-MJGOQNOKSA-N 1 1 413.526 0.972 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)n2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)CC1 ZINC000599120716 1073565156 /nfs/dbraw/zinc/56/51/56/1073565156.db2.gz DLDLEWGDMVDTFP-PKOBYXMFSA-N 1 1 413.526 0.972 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)cc12 ZINC000599146413 1073565726 /nfs/dbraw/zinc/56/57/26/1073565726.db2.gz RMUSIBKLYJKDGO-KRWDZBQOSA-N 1 1 400.483 0.929 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)cc12 ZINC000599146424 1073564988 /nfs/dbraw/zinc/56/49/88/1073564988.db2.gz RMUSIBKLYJKDGO-QGZVFWFLSA-N 1 1 400.483 0.929 20 0 HCADMO COc1ccc(OCCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000599148083 1073565666 /nfs/dbraw/zinc/56/56/66/1073565666.db2.gz FAPNUGLFULANIH-IBGZPJMESA-N 1 1 405.495 0.904 20 0 HCADMO COc1ccc(OCCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000599148084 1073565847 /nfs/dbraw/zinc/56/58/47/1073565847.db2.gz FAPNUGLFULANIH-LJQANCHMSA-N 1 1 405.495 0.904 20 0 HCADMO NC(=O)CSc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000599148085 1073565984 /nfs/dbraw/zinc/56/59/84/1073565984.db2.gz FIFPIXJGQIWZDK-INIZCTEOSA-N 1 1 420.535 0.916 20 0 HCADMO NC(=O)CSc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000599148086 1073565886 /nfs/dbraw/zinc/56/58/86/1073565886.db2.gz FIFPIXJGQIWZDK-MRXNPFEDSA-N 1 1 420.535 0.916 20 0 HCADMO CNC(=O)c1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000599148131 1073565771 /nfs/dbraw/zinc/56/57/71/1073565771.db2.gz LYMSDRDVTMJDQR-IBGZPJMESA-N 1 1 416.522 0.718 20 0 HCADMO CNC(=O)c1ccc(CN(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000599148134 1073565913 /nfs/dbraw/zinc/56/59/13/1073565913.db2.gz LYMSDRDVTMJDQR-LJQANCHMSA-N 1 1 416.522 0.718 20 0 HCADMO Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000599149044 1073565940 /nfs/dbraw/zinc/56/59/40/1073565940.db2.gz GYCRETRPBJTRPP-GOSISDBHSA-N 1 1 413.482 0.623 20 0 HCADMO Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000599149048 1073565618 /nfs/dbraw/zinc/56/56/18/1073565618.db2.gz GYCRETRPBJTRPP-SFHVURJKSA-N 1 1 413.482 0.623 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(N2CCNC2=O)cc1 ZINC000599153906 1073567784 /nfs/dbraw/zinc/56/77/84/1073567784.db2.gz HTEFSDMONIMRII-GOSISDBHSA-N 1 1 415.494 0.868 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc(N2CCNC2=O)cc1 ZINC000599153907 1073568005 /nfs/dbraw/zinc/56/80/05/1073568005.db2.gz HTEFSDMONIMRII-SFHVURJKSA-N 1 1 415.494 0.868 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CCN(c2ncccn2)CC1 ZINC000599154127 1073567752 /nfs/dbraw/zinc/56/77/52/1073567752.db2.gz IPLBNXRDXLSNMI-GOSISDBHSA-N 1 1 416.526 0.275 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CCN(c2ncccn2)CC1 ZINC000599154128 1073568135 /nfs/dbraw/zinc/56/81/35/1073568135.db2.gz IPLBNXRDXLSNMI-SFHVURJKSA-N 1 1 416.526 0.275 20 0 HCADMO Cn1nnnc1-c1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000599154298 1073567923 /nfs/dbraw/zinc/56/79/23/1073567923.db2.gz WCAPECCASOJSNM-KRWDZBQOSA-N 1 1 413.482 0.529 20 0 HCADMO Cn1nnnc1-c1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000599154303 1073568054 /nfs/dbraw/zinc/56/80/54/1073568054.db2.gz WCAPECCASOJSNM-QGZVFWFLSA-N 1 1 413.482 0.529 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCOc1ccc2c(c1)OCO2 ZINC000599157852 1073570398 /nfs/dbraw/zinc/57/03/98/1073570398.db2.gz CSKWWIROFSMJKG-GOSISDBHSA-N 1 1 419.478 0.624 20 0 HCADMO 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ZINC000599162182 1073573296 /nfs/dbraw/zinc/57/32/96/1073573296.db2.gz AMAPJXNHQXJNAN-UHFFFAOYSA-N 1 1 413.540 0.986 20 0 HCADMO CC(C)(C)C[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000599162189 1073573395 /nfs/dbraw/zinc/57/33/95/1073573395.db2.gz BCHJDHOBYJTGCI-UHFFFAOYSA-N 1 1 415.531 0.999 20 0 HCADMO CC(C)(C)C[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000599162266 1073573924 /nfs/dbraw/zinc/57/39/24/1073573924.db2.gz HOZJRZZMRUPPIZ-UHFFFAOYSA-N 1 1 413.540 0.986 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+](CCO)CC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000599162681 1073572398 /nfs/dbraw/zinc/57/23/98/1073572398.db2.gz SWWHWQSIALPGJH-UHFFFAOYSA-N 1 1 402.495 0.701 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+](CCO)CC(C)(C)C)c(N)n(Cc2ccccc2)c1=O ZINC000599162681 1073572387 /nfs/dbraw/zinc/57/23/87/1073572387.db2.gz SWWHWQSIALPGJH-UHFFFAOYSA-N 1 1 402.495 0.701 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)CC(C)(C)C)CC1 ZINC000599162703 1073572785 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QLMZMGBESRRZMN-NRFANRHFSA-N 1 1 415.582 0.993 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000599169318 1073575161 /nfs/dbraw/zinc/57/51/61/1073575161.db2.gz QLMZMGBESRRZMN-OAQYLSRUSA-N 1 1 415.582 0.993 20 0 HCADMO Cc1cc(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000599171893 1073575097 /nfs/dbraw/zinc/57/50/97/1073575097.db2.gz KXMLYXBNNJKGJS-APWZRJJASA-N 1 1 406.508 0.987 20 0 HCADMO Cc1cc(NC(=O)C[NH2+][C@@](C)(CO)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000599171894 1073575144 /nfs/dbraw/zinc/57/51/44/1073575144.db2.gz KXMLYXBNNJKGJS-LPHOPBHVSA-N 1 1 406.508 0.987 20 0 HCADMO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000599171895 1073575017 /nfs/dbraw/zinc/57/50/17/1073575017.db2.gz KXMLYXBNNJKGJS-QFBILLFUSA-N 1 1 406.508 0.987 20 0 HCADMO Cc1cc(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000599171896 1073574878 /nfs/dbraw/zinc/57/48/78/1073574878.db2.gz KXMLYXBNNJKGJS-VQIMIIECSA-N 1 1 406.508 0.987 20 0 HCADMO Cn1c(=O)c(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000599173429 1073575447 /nfs/dbraw/zinc/57/54/47/1073575447.db2.gz WVPXRYDOQIFJLS-HSZRJFAPSA-N 1 1 422.485 0.858 20 0 HCADMO Cn1c(=O)c(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000599173430 1073575501 /nfs/dbraw/zinc/57/55/01/1073575501.db2.gz WVPXRYDOQIFJLS-QHCPKHFHSA-N 1 1 422.485 0.858 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000599199984 1073584937 /nfs/dbraw/zinc/58/49/37/1073584937.db2.gz HAFZSPQSVPSSKJ-KRWDZBQOSA-N 1 1 420.539 0.753 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000599199986 1073585258 /nfs/dbraw/zinc/58/52/58/1073585258.db2.gz HAFZSPQSVPSSKJ-QGZVFWFLSA-N 1 1 420.539 0.753 20 0 HCADMO C[N@H+]1CC[C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000599222910 1073586795 /nfs/dbraw/zinc/58/67/95/1073586795.db2.gz DTXLRLCMDAIKHE-KRWDZBQOSA-N 1 1 422.551 0.368 20 0 HCADMO C[N@H+]1CC[C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000599222911 1073587104 /nfs/dbraw/zinc/58/71/04/1073587104.db2.gz DTXLRLCMDAIKHE-QGZVFWFLSA-N 1 1 422.551 0.368 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000599223114 1073586771 /nfs/dbraw/zinc/58/67/71/1073586771.db2.gz QDXMPLUPVKRAFY-HNNXBMFYSA-N 1 1 410.540 0.515 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000599223115 1073587037 /nfs/dbraw/zinc/58/70/37/1073587037.db2.gz QDXMPLUPVKRAFY-OAHLLOKOSA-N 1 1 410.540 0.515 20 0 HCADMO C[N@H+]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000599223149 1073587015 /nfs/dbraw/zinc/58/70/15/1073587015.db2.gz VVNPBBNEOHGROJ-HNNXBMFYSA-N 1 1 423.535 0.926 20 0 HCADMO C[N@H+]1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000599223150 1073587075 /nfs/dbraw/zinc/58/70/75/1073587075.db2.gz VVNPBBNEOHGROJ-OAHLLOKOSA-N 1 1 423.535 0.926 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000599223834 1073587151 /nfs/dbraw/zinc/58/71/51/1073587151.db2.gz WOLGMELSCIGDKT-INIZCTEOSA-N 1 1 408.524 0.221 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000599223835 1073586868 /nfs/dbraw/zinc/58/68/68/1073586868.db2.gz WOLGMELSCIGDKT-MRXNPFEDSA-N 1 1 408.524 0.221 20 0 HCADMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599296107 1073597966 /nfs/dbraw/zinc/59/79/66/1073597966.db2.gz NJMOOMYZEVUVPR-KRWDZBQOSA-N 1 1 408.524 0.995 20 0 HCADMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000599296108 1073597803 /nfs/dbraw/zinc/59/78/03/1073597803.db2.gz NJMOOMYZEVUVPR-QGZVFWFLSA-N 1 1 408.524 0.995 20 0 HCADMO C[C@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599301235 1073599017 /nfs/dbraw/zinc/59/90/17/1073599017.db2.gz KHDFFKBNFBLECT-GOSISDBHSA-N 1 1 400.523 0.436 20 0 HCADMO C[C@@H](C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599301236 1073598653 /nfs/dbraw/zinc/59/86/53/1073598653.db2.gz KHDFFKBNFBLECT-SFHVURJKSA-N 1 1 400.523 0.436 20 0 HCADMO COc1ccc(-c2noc(CN3CCN(C(=O)CN4CC[NH+](C)CC4)CC3)n2)cc1 ZINC000599301595 1073598925 /nfs/dbraw/zinc/59/89/25/1073598925.db2.gz RNOBXKSVCBCWDT-UHFFFAOYSA-N 1 1 414.510 0.637 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC1 ZINC000599309161 1073595418 /nfs/dbraw/zinc/59/54/18/1073595418.db2.gz PDLBPXHMEXDVOI-UHFFFAOYSA-N 1 1 402.503 0.192 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c32)CC1 ZINC000599309161 1073595388 /nfs/dbraw/zinc/59/53/88/1073595388.db2.gz PDLBPXHMEXDVOI-UHFFFAOYSA-N 1 1 402.503 0.192 20 0 HCADMO O=C(CCn1nc2ccccn2c1=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599309322 1073595753 /nfs/dbraw/zinc/59/57/53/1073595753.db2.gz REBYUFBLLJSNBH-UHFFFAOYSA-N 1 1 412.469 0.964 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)N2CCc3ccccc3C2)CC1 ZINC000599310455 1073596224 /nfs/dbraw/zinc/59/62/24/1073596224.db2.gz ZTUOCJIUKZYRSG-UHFFFAOYSA-N 1 1 415.538 0.861 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CCn3nc4ccccn4c3=O)cc2)CC1 ZINC000599311621 1073596154 /nfs/dbraw/zinc/59/61/54/1073596154.db2.gz ZMSSQDATHFJKQI-UHFFFAOYSA-N 1 1 422.489 0.590 20 0 HCADMO COc1ccc(CCC(=O)N2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000599324047 1073603963 /nfs/dbraw/zinc/60/39/63/1073603963.db2.gz MQMPMANLJKCNJI-UHFFFAOYSA-N 1 1 402.539 0.936 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000599324629 1073603646 /nfs/dbraw/zinc/60/36/46/1073603646.db2.gz RWDLFWOGFZHNPP-INIZCTEOSA-N 1 1 404.511 0.556 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000599324629 1073603635 /nfs/dbraw/zinc/60/36/35/1073603635.db2.gz RWDLFWOGFZHNPP-INIZCTEOSA-N 1 1 404.511 0.556 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000599324630 1073604905 /nfs/dbraw/zinc/60/49/05/1073604905.db2.gz 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YJRZSAKYAWFCCU-IEBWSBKVSA-N 1 1 423.583 0.920 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603525524 1073554861 /nfs/dbraw/zinc/55/48/61/1073554861.db2.gz YJRZSAKYAWFCCU-MJGOQNOKSA-N 1 1 423.583 0.920 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603525525 1073555205 /nfs/dbraw/zinc/55/52/05/1073555205.db2.gz YJRZSAKYAWFCCU-PKOBYXMFSA-N 1 1 423.583 0.920 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000603526942 1073554970 /nfs/dbraw/zinc/55/49/70/1073554970.db2.gz HNQPWTPATMEUTM-IBGZPJMESA-N 1 1 423.583 0.657 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000603526943 1073555271 /nfs/dbraw/zinc/55/52/71/1073555271.db2.gz HNQPWTPATMEUTM-LJQANCHMSA-N 1 1 423.583 0.657 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000603527339 1073555239 /nfs/dbraw/zinc/55/52/39/1073555239.db2.gz ZUCONHPEGQEMRT-SFHVURJKSA-N 1 1 410.540 0.742 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603528663 1073555673 /nfs/dbraw/zinc/55/56/73/1073555673.db2.gz CDTJEIOTIXTJSE-GOSISDBHSA-N 1 1 409.556 0.532 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000603528664 1073555825 /nfs/dbraw/zinc/55/58/25/1073555825.db2.gz CDTJEIOTIXTJSE-SFHVURJKSA-N 1 1 409.556 0.532 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000603533518 1073556436 /nfs/dbraw/zinc/55/64/36/1073556436.db2.gz CECBTGDKAPYWHV-GOSISDBHSA-N 1 1 424.571 0.317 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000603533519 1073556709 /nfs/dbraw/zinc/55/67/09/1073556709.db2.gz CECBTGDKAPYWHV-SFHVURJKSA-N 1 1 424.571 0.317 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545778 1073564370 /nfs/dbraw/zinc/56/43/70/1073564370.db2.gz QVJBYNXWOBOGQD-JFIYKMOQSA-N 1 1 403.527 0.702 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545779 1073564064 /nfs/dbraw/zinc/56/40/64/1073564064.db2.gz QVJBYNXWOBOGQD-JZXOWHBKSA-N 1 1 403.527 0.702 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545780 1073564100 /nfs/dbraw/zinc/56/41/00/1073564100.db2.gz QVJBYNXWOBOGQD-LZLYRXPVSA-N 1 1 403.527 0.702 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCCc3c2cnn3CCO)CC1=O ZINC000603545781 1073564451 /nfs/dbraw/zinc/56/44/51/1073564451.db2.gz QVJBYNXWOBOGQD-NUJGCVRESA-N 1 1 403.527 0.702 20 0 HCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000603548471 1073564818 /nfs/dbraw/zinc/56/48/18/1073564818.db2.gz XISGDBVRORVXOX-KRWDZBQOSA-N 1 1 408.524 0.914 20 0 HCADMO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000603548472 1073564795 /nfs/dbraw/zinc/56/47/95/1073564795.db2.gz XISGDBVRORVXOX-QGZVFWFLSA-N 1 1 408.524 0.914 20 0 HCADMO O=C(C[NH2+]C1CCN(CCN2CCOCC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000603550556 1073558590 /nfs/dbraw/zinc/55/85/90/1073558590.db2.gz FNHWKXOGXHUPOK-UHFFFAOYSA-N 1 1 404.511 0.783 20 0 HCADMO C[NH+](C)CCN(C(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000603553306 1073560355 /nfs/dbraw/zinc/56/03/55/1073560355.db2.gz DHVVTSPYWDCGJZ-AWEZNQCLSA-N 1 1 406.508 0.845 20 0 HCADMO C[NH+](C)CCN(C(=O)CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000603553307 1073560658 /nfs/dbraw/zinc/56/06/58/1073560658.db2.gz DHVVTSPYWDCGJZ-CQSZACIVSA-N 1 1 406.508 0.845 20 0 HCADMO Cc1c(C(=O)NC[C@H](C)N2CCN(C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000603553378 1073560512 /nfs/dbraw/zinc/56/05/12/1073560512.db2.gz XXUVLLRPIAMXQT-INIZCTEOSA-N 1 1 411.554 0.929 20 0 HCADMO Cc1c(C(=O)NC[C@H](C)N2CCN(C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000603553378 1073560488 /nfs/dbraw/zinc/56/04/88/1073560488.db2.gz XXUVLLRPIAMXQT-INIZCTEOSA-N 1 1 411.554 0.929 20 0 HCADMO Cc1c(C(=O)NC[C@@H](C)N2CCN(C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000603553379 1073560805 /nfs/dbraw/zinc/56/08/05/1073560805.db2.gz XXUVLLRPIAMXQT-MRXNPFEDSA-N 1 1 411.554 0.929 20 0 HCADMO Cc1c(C(=O)NC[C@@H](C)N2CCN(C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000603553379 1073560794 /nfs/dbraw/zinc/56/07/94/1073560794.db2.gz XXUVLLRPIAMXQT-MRXNPFEDSA-N 1 1 411.554 0.929 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCN3C(=O)CNC3=O)cc2)CC1 ZINC000603574932 1073567342 /nfs/dbraw/zinc/56/73/42/1073567342.db2.gz KQDAVNXMUYMLLG-UHFFFAOYSA-N 1 1 402.455 0.138 20 0 HCADMO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603578606 1073570505 /nfs/dbraw/zinc/57/05/05/1073570505.db2.gz MRAPEZVVCUOHIP-KRWDZBQOSA-N 1 1 403.483 0.620 20 0 HCADMO NC(=O)CCNC(=O)c1cccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603578607 1073570618 /nfs/dbraw/zinc/57/06/18/1073570618.db2.gz MRAPEZVVCUOHIP-QGZVFWFLSA-N 1 1 403.483 0.620 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000603579368 1073570790 /nfs/dbraw/zinc/57/07/90/1073570790.db2.gz ITTJXXTYPUGPLI-UHFFFAOYSA-N 1 1 404.515 0.441 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000603579791 1073571119 /nfs/dbraw/zinc/57/11/19/1073571119.db2.gz GROHETCQEBSQMJ-UHFFFAOYSA-N 1 1 404.515 0.439 20 0 HCADMO CCOC(=O)C1CCN(C(=O)C[N@H+]2CCCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000603581238 1073572003 /nfs/dbraw/zinc/57/20/03/1073572003.db2.gz CZNRXGBPCHYUCD-UHFFFAOYSA-N 1 1 410.559 0.664 20 0 HCADMO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000603581238 1073571990 /nfs/dbraw/zinc/57/19/90/1073571990.db2.gz CZNRXGBPCHYUCD-UHFFFAOYSA-N 1 1 410.559 0.664 20 0 HCADMO CCOC(=O)C1CCN(C(=O)CN2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000603581238 1073571977 /nfs/dbraw/zinc/57/19/77/1073571977.db2.gz CZNRXGBPCHYUCD-UHFFFAOYSA-N 1 1 410.559 0.664 20 0 HCADMO CCOC(=O)C1CCN(C(=O)CN2CCC[N@H+](CC(=O)N(CC)CC)CC2)CC1 ZINC000603581238 1073571959 /nfs/dbraw/zinc/57/19/59/1073571959.db2.gz CZNRXGBPCHYUCD-UHFFFAOYSA-N 1 1 410.559 0.664 20 0 HCADMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000603603191 1073576657 /nfs/dbraw/zinc/57/66/57/1073576657.db2.gz QYACBBDFFLQMSI-SFHVURJKSA-N 1 1 422.551 0.516 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NCc3cc4c([nH]c3=O)CCC4)CC2)CC1 ZINC000603608423 1073577924 /nfs/dbraw/zinc/57/79/24/1073577924.db2.gz FREMGAVRGQPFBE-UHFFFAOYSA-N 1 1 401.511 0.972 20 0 HCADMO CC(=O)NCc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603616691 1073584966 /nfs/dbraw/zinc/58/49/66/1073584966.db2.gz CIHCWAUUBZULRW-IBGZPJMESA-N 1 1 402.495 0.975 20 0 HCADMO CC(=O)NCc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000603616692 1073585127 /nfs/dbraw/zinc/58/51/27/1073585127.db2.gz CIHCWAUUBZULRW-LJQANCHMSA-N 1 1 402.495 0.975 20 0 HCADMO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000603618271 1073585677 /nfs/dbraw/zinc/58/56/77/1073585677.db2.gz MDLNYVIUKKNTNL-INIZCTEOSA-N 1 1 409.508 0.646 20 0 HCADMO 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TZYLMTPYOGPYDO-GFCCVEGCSA-N 1 1 401.558 0.363 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158435 1073715187 /nfs/dbraw/zinc/71/51/87/1073715187.db2.gz TZYLMTPYOGPYDO-GFCCVEGCSA-N 1 1 401.558 0.363 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158440 1073715309 /nfs/dbraw/zinc/71/53/09/1073715309.db2.gz TZYLMTPYOGPYDO-LBPRGKRZSA-N 1 1 401.558 0.363 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000604158440 1073715295 /nfs/dbraw/zinc/71/52/95/1073715295.db2.gz TZYLMTPYOGPYDO-LBPRGKRZSA-N 1 1 401.558 0.363 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000604159397 1073715978 /nfs/dbraw/zinc/71/59/78/1073715978.db2.gz OUPIFRKNNZVYFL-UHFFFAOYSA-N 1 1 404.467 0.328 20 0 HCADMO C[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161719 1073717207 /nfs/dbraw/zinc/71/72/07/1073717207.db2.gz KDGACZRCWWAUPW-GDBMZVCRSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161719 1073717189 /nfs/dbraw/zinc/71/71/89/1073717189.db2.gz KDGACZRCWWAUPW-GDBMZVCRSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161720 1073717608 /nfs/dbraw/zinc/71/76/08/1073717608.db2.gz KDGACZRCWWAUPW-GOEBONIOSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161720 1073717591 /nfs/dbraw/zinc/71/75/91/1073717591.db2.gz KDGACZRCWWAUPW-GOEBONIOSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161722 1073717340 /nfs/dbraw/zinc/71/73/40/1073717340.db2.gz KDGACZRCWWAUPW-HOCLYGCPSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161722 1073717335 /nfs/dbraw/zinc/71/73/35/1073717335.db2.gz KDGACZRCWWAUPW-HOCLYGCPSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161724 1073717720 /nfs/dbraw/zinc/71/77/20/1073717720.db2.gz KDGACZRCWWAUPW-ZBFHGGJFSA-N 1 1 409.556 0.863 20 0 HCADMO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000604161724 1073717711 /nfs/dbraw/zinc/71/77/11/1073717711.db2.gz KDGACZRCWWAUPW-ZBFHGGJFSA-N 1 1 409.556 0.863 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 ZINC000604162066 1073717446 /nfs/dbraw/zinc/71/74/46/1073717446.db2.gz YQGWTGDLIAAPHX-FQEVSTJZSA-N 1 1 423.602 0.929 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)C1 ZINC000604162078 1073717299 /nfs/dbraw/zinc/71/72/99/1073717299.db2.gz YQGWTGDLIAAPHX-HXUWFJFHSA-N 1 1 423.602 0.929 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000604163550 1073718235 /nfs/dbraw/zinc/71/82/35/1073718235.db2.gz JUOQBYHWCLIQBJ-CYBMUJFWSA-N 1 1 415.585 0.624 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000604163550 1073718217 /nfs/dbraw/zinc/71/82/17/1073718217.db2.gz JUOQBYHWCLIQBJ-CYBMUJFWSA-N 1 1 415.585 0.624 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000604163552 1073718600 /nfs/dbraw/zinc/71/86/00/1073718600.db2.gz JUOQBYHWCLIQBJ-ZDUSSCGKSA-N 1 1 415.585 0.624 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000604163552 1073718594 /nfs/dbraw/zinc/71/85/94/1073718594.db2.gz JUOQBYHWCLIQBJ-ZDUSSCGKSA-N 1 1 415.585 0.624 20 0 HCADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604164663 1073725828 /nfs/dbraw/zinc/72/58/28/1073725828.db2.gz LSQYVXUFIALCPA-GOSISDBHSA-N 1 1 422.551 0.885 20 0 HCADMO O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604164664 1073725920 /nfs/dbraw/zinc/72/59/20/1073725920.db2.gz LSQYVXUFIALCPA-SFHVURJKSA-N 1 1 422.551 0.885 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604165033 1073725771 /nfs/dbraw/zinc/72/57/71/1073725771.db2.gz XAIZHRPPTFQXHJ-KRWDZBQOSA-N 1 1 423.583 0.905 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604165033 1073725759 /nfs/dbraw/zinc/72/57/59/1073725759.db2.gz XAIZHRPPTFQXHJ-KRWDZBQOSA-N 1 1 423.583 0.905 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604165035 1073725619 /nfs/dbraw/zinc/72/56/19/1073725619.db2.gz XAIZHRPPTFQXHJ-QGZVFWFLSA-N 1 1 423.583 0.905 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604165035 1073725611 /nfs/dbraw/zinc/72/56/11/1073725611.db2.gz XAIZHRPPTFQXHJ-QGZVFWFLSA-N 1 1 423.583 0.905 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000604165203 1073726557 /nfs/dbraw/zinc/72/65/57/1073726557.db2.gz OCRWEDZLKCMDMY-GOSISDBHSA-N 1 1 423.583 0.704 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000604165203 1073726551 /nfs/dbraw/zinc/72/65/51/1073726551.db2.gz OCRWEDZLKCMDMY-GOSISDBHSA-N 1 1 423.583 0.704 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000604165204 1073726684 /nfs/dbraw/zinc/72/66/84/1073726684.db2.gz OCRWEDZLKCMDMY-SFHVURJKSA-N 1 1 423.583 0.704 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000604165204 1073726680 /nfs/dbraw/zinc/72/66/80/1073726680.db2.gz OCRWEDZLKCMDMY-SFHVURJKSA-N 1 1 423.583 0.704 20 0 HCADMO CC(C)[C@H](CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000604165985 1073726801 /nfs/dbraw/zinc/72/68/01/1073726801.db2.gz QIKHLKSJEORKRU-FQEVSTJZSA-N 1 1 423.602 0.929 20 0 HCADMO CC(C)[C@@H](CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)N1CCOCC1 ZINC000604165987 1073726386 /nfs/dbraw/zinc/72/63/86/1073726386.db2.gz QIKHLKSJEORKRU-HXUWFJFHSA-N 1 1 423.602 0.929 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000604166069 1073726667 /nfs/dbraw/zinc/72/66/67/1073726667.db2.gz LLYVRJUKOWTWBL-UHFFFAOYSA-N 1 1 403.531 0.038 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604166077 1073726597 /nfs/dbraw/zinc/72/65/97/1073726597.db2.gz LWMYCLQQYHSGQP-INIZCTEOSA-N 1 1 401.577 0.268 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604166077 1073726590 /nfs/dbraw/zinc/72/65/90/1073726590.db2.gz LWMYCLQQYHSGQP-INIZCTEOSA-N 1 1 401.577 0.268 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000604166078 1073726737 /nfs/dbraw/zinc/72/67/37/1073726737.db2.gz LWMYCLQQYHSGQP-MRXNPFEDSA-N 1 1 401.577 0.268 20 0 HCADMO CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604166078 1073726730 /nfs/dbraw/zinc/72/67/30/1073726730.db2.gz LWMYCLQQYHSGQP-MRXNPFEDSA-N 1 1 401.577 0.268 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)CC1 ZINC000604166098 1073726786 /nfs/dbraw/zinc/72/67/86/1073726786.db2.gz NZWAEHMEMNDKQD-UHFFFAOYSA-N 1 1 419.570 0.973 20 0 HCADMO COc1cccc(C(=O)NCCNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000604166128 1073726507 /nfs/dbraw/zinc/72/65/07/1073726507.db2.gz PVAKRYUJSYZDBT-KRWDZBQOSA-N 1 1 403.527 0.893 20 0 HCADMO COc1cccc(C(=O)NCCNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000604166128 1073726494 /nfs/dbraw/zinc/72/64/94/1073726494.db2.gz PVAKRYUJSYZDBT-KRWDZBQOSA-N 1 1 403.527 0.893 20 0 HCADMO CC(C)[C@H](CNC(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000604166154 1073726717 /nfs/dbraw/zinc/72/67/17/1073726717.db2.gz VBZZYPFQQBUYGC-KRWDZBQOSA-N 1 1 404.515 0.369 20 0 HCADMO CC(C)[C@@H](CNC(=O)N1CCN(c2ncccc2C(N)=O)CC1)[NH+]1CCOCC1 ZINC000604166155 1073726445 /nfs/dbraw/zinc/72/64/45/1073726445.db2.gz VBZZYPFQQBUYGC-QGZVFWFLSA-N 1 1 404.515 0.369 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000604166166 1073727356 /nfs/dbraw/zinc/72/73/56/1073727356.db2.gz VYVZNMJECDCLOD-MRXNPFEDSA-N 1 1 415.604 0.706 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(NS(C)(=O)=O)CCCCC3)C2)CC1 ZINC000604166166 1073727345 /nfs/dbraw/zinc/72/73/45/1073727345.db2.gz VYVZNMJECDCLOD-MRXNPFEDSA-N 1 1 415.604 0.706 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166848 1073727163 /nfs/dbraw/zinc/72/71/63/1073727163.db2.gz FVZVVDCHJTYZRF-INIZCTEOSA-N 1 1 409.556 0.433 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166848 1073727158 /nfs/dbraw/zinc/72/71/58/1073727158.db2.gz FVZVVDCHJTYZRF-INIZCTEOSA-N 1 1 409.556 0.433 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166849 1073727436 /nfs/dbraw/zinc/72/74/36/1073727436.db2.gz FVZVVDCHJTYZRF-MRXNPFEDSA-N 1 1 409.556 0.433 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCNS(=O)(=O)c3ccccc3)C2)CC1 ZINC000604166849 1073727421 /nfs/dbraw/zinc/72/74/21/1073727421.db2.gz FVZVVDCHJTYZRF-MRXNPFEDSA-N 1 1 409.556 0.433 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000604167365 1073728190 /nfs/dbraw/zinc/72/81/90/1073728190.db2.gz VTRRYMACOYYWTA-QGZVFWFLSA-N 1 1 423.583 0.741 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000604167365 1073728182 /nfs/dbraw/zinc/72/81/82/1073728182.db2.gz VTRRYMACOYYWTA-QGZVFWFLSA-N 1 1 423.583 0.741 20 0 HCADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000604168262 1073730208 /nfs/dbraw/zinc/73/02/08/1073730208.db2.gz GUWODNGVWRCYTJ-UHFFFAOYSA-N 1 1 403.531 0.038 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000604169079 1073728860 /nfs/dbraw/zinc/72/88/60/1073728860.db2.gz JVUFZQHLOKHPJZ-GOSISDBHSA-N 1 1 402.543 0.886 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000604169079 1073728852 /nfs/dbraw/zinc/72/88/52/1073728852.db2.gz JVUFZQHLOKHPJZ-GOSISDBHSA-N 1 1 402.543 0.886 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000604169080 1073728700 /nfs/dbraw/zinc/72/87/00/1073728700.db2.gz JVUFZQHLOKHPJZ-SFHVURJKSA-N 1 1 402.543 0.886 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccnc(N4CCOCC4)c3)C2)CC1 ZINC000604169080 1073728686 /nfs/dbraw/zinc/72/86/86/1073728686.db2.gz JVUFZQHLOKHPJZ-SFHVURJKSA-N 1 1 402.543 0.886 20 0 HCADMO CNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000604169404 1073731227 /nfs/dbraw/zinc/73/12/27/1073731227.db2.gz VIAVYMIFQJJKMR-GOSISDBHSA-N 1 1 401.511 0.742 20 0 HCADMO CNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000604169405 1073731521 /nfs/dbraw/zinc/73/15/21/1073731521.db2.gz VIAVYMIFQJJKMR-SFHVURJKSA-N 1 1 401.511 0.742 20 0 HCADMO CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000604169527 1073730569 /nfs/dbraw/zinc/73/05/69/1073730569.db2.gz ZHRAWRALXCRNAK-GOSISDBHSA-N 1 1 401.511 0.740 20 0 HCADMO CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000604169528 1073730147 /nfs/dbraw/zinc/73/01/47/1073730147.db2.gz ZHRAWRALXCRNAK-SFHVURJKSA-N 1 1 401.511 0.740 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000604169578 1073730486 /nfs/dbraw/zinc/73/04/86/1073730486.db2.gz JNDFPPMWSCLZFB-GOSISDBHSA-N 1 1 402.543 0.886 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000604169578 1073730474 /nfs/dbraw/zinc/73/04/74/1073730474.db2.gz JNDFPPMWSCLZFB-GOSISDBHSA-N 1 1 402.543 0.886 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000604169579 1073730101 /nfs/dbraw/zinc/73/01/01/1073730101.db2.gz JNDFPPMWSCLZFB-SFHVURJKSA-N 1 1 402.543 0.886 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccnc3N3CCOCC3)C2)CC1 ZINC000604169579 1073730083 /nfs/dbraw/zinc/73/00/83/1073730083.db2.gz JNDFPPMWSCLZFB-SFHVURJKSA-N 1 1 402.543 0.886 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000604170462 1073730948 /nfs/dbraw/zinc/73/09/48/1073730948.db2.gz CDLBITXREPRPAY-INIZCTEOSA-N 1 1 409.556 0.562 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000604170462 1073730931 /nfs/dbraw/zinc/73/09/31/1073730931.db2.gz CDLBITXREPRPAY-INIZCTEOSA-N 1 1 409.556 0.562 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000604170463 1073731444 /nfs/dbraw/zinc/73/14/44/1073731444.db2.gz CDLBITXREPRPAY-MRXNPFEDSA-N 1 1 409.556 0.562 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000604170463 1073731434 /nfs/dbraw/zinc/73/14/34/1073731434.db2.gz CDLBITXREPRPAY-MRXNPFEDSA-N 1 1 409.556 0.562 20 0 HCADMO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000604171919 1073731091 /nfs/dbraw/zinc/73/10/91/1073731091.db2.gz URYYTKNAFKJLFE-GUDVDZBRSA-N 1 1 409.575 0.824 20 0 HCADMO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000604171921 1073731187 /nfs/dbraw/zinc/73/11/87/1073731187.db2.gz URYYTKNAFKJLFE-IPMKNSEASA-N 1 1 409.575 0.824 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000604173128 1073731024 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CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604353313 1073788502 /nfs/dbraw/zinc/78/85/02/1073788502.db2.gz NAUNXNAFERMWCQ-RBUKOAKNSA-N 1 1 412.542 0.513 20 0 HCADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604353314 1073788546 /nfs/dbraw/zinc/78/85/46/1073788546.db2.gz NAUNXNAFERMWCQ-RTBURBONSA-N 1 1 412.542 0.513 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)C1 ZINC000604353365 1073789267 /nfs/dbraw/zinc/78/92/67/1073789267.db2.gz OTKNGPCIKBEWGI-KRWDZBQOSA-N 1 1 413.522 0.990 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)C1 ZINC000604353366 1073790148 /nfs/dbraw/zinc/79/01/48/1073790148.db2.gz OTKNGPCIKBEWGI-QGZVFWFLSA-N 1 1 413.522 0.990 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)C1 ZINC000604353473 1073790234 /nfs/dbraw/zinc/79/02/34/1073790234.db2.gz TYYWEAKZZPOCML-INIZCTEOSA-N 1 1 412.531 0.733 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)C1 ZINC000604353474 1073790191 /nfs/dbraw/zinc/79/01/91/1073790191.db2.gz TYYWEAKZZPOCML-MRXNPFEDSA-N 1 1 412.531 0.733 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)C1 ZINC000604353515 1073790372 /nfs/dbraw/zinc/79/03/72/1073790372.db2.gz VGJUGKWLTGECCK-GOSISDBHSA-N 1 1 412.542 0.579 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)C1 ZINC000604353516 1073790526 /nfs/dbraw/zinc/79/05/26/1073790526.db2.gz VGJUGKWLTGECCK-SFHVURJKSA-N 1 1 412.542 0.579 20 0 HCADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604353925 1073790472 /nfs/dbraw/zinc/79/04/72/1073790472.db2.gz UCAGYULFZBTHLI-DLBZAZTESA-N 1 1 424.567 0.600 20 0 HCADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604353926 1073790299 /nfs/dbraw/zinc/79/02/99/1073790299.db2.gz UCAGYULFZBTHLI-IRXDYDNUSA-N 1 1 424.567 0.600 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)C1 ZINC000604353932 1073790422 /nfs/dbraw/zinc/79/04/22/1073790422.db2.gz UJKYZIBOGGHXRE-SFHVURJKSA-N 1 1 406.552 0.979 20 0 HCADMO O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369293 1073768200 /nfs/dbraw/zinc/76/82/00/1073768200.db2.gz KWKBVVKXYGCOOE-INIZCTEOSA-N 1 1 414.510 0.206 20 0 HCADMO O=C(CCNC(=O)c1[nH]nc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369294 1073768132 /nfs/dbraw/zinc/76/81/32/1073768132.db2.gz KWKBVVKXYGCOOE-MRXNPFEDSA-N 1 1 414.510 0.206 20 0 HCADMO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369401 1073769133 /nfs/dbraw/zinc/76/91/33/1073769133.db2.gz RZEIHXPHIJWPJQ-HKUYNNGSSA-N 1 1 420.579 0.804 20 0 HCADMO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604369402 1073769224 /nfs/dbraw/zinc/76/92/24/1073769224.db2.gz RZEIHXPHIJWPJQ-IEBWSBKVSA-N 1 1 420.579 0.804 20 0 HCADMO 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ZINC000604370068 1073769256 /nfs/dbraw/zinc/76/92/56/1073769256.db2.gz FLRCTPLWYJFGAR-HNNXBMFYSA-N 1 1 409.556 0.803 20 0 HCADMO CC(C)C(=O)Nc1nc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cs1 ZINC000604370069 1073770183 /nfs/dbraw/zinc/77/01/83/1073770183.db2.gz FLRCTPLWYJFGAR-OAHLLOKOSA-N 1 1 409.556 0.803 20 0 HCADMO O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370070 1073770245 /nfs/dbraw/zinc/77/02/45/1073770245.db2.gz FMXMSCHTZXYPMH-GOSISDBHSA-N 1 1 423.945 0.662 20 0 HCADMO O=C(CNC(=O)NCc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370073 1073770523 /nfs/dbraw/zinc/77/05/23/1073770523.db2.gz FMXMSCHTZXYPMH-SFHVURJKSA-N 1 1 423.945 0.662 20 0 HCADMO O=C(COc1cccc(N2CCCC2=O)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370150 1073770627 /nfs/dbraw/zinc/77/06/27/1073770627.db2.gz GJGOXHYBVUGJIM-GOSISDBHSA-N 1 1 416.522 0.715 20 0 HCADMO O=C(COc1cccc(N2CCCC2=O)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370153 1073770722 /nfs/dbraw/zinc/77/07/22/1073770722.db2.gz GJGOXHYBVUGJIM-SFHVURJKSA-N 1 1 416.522 0.715 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(CN2CCOCC2)c1 ZINC000604370280 1073769443 /nfs/dbraw/zinc/76/94/43/1073769443.db2.gz HFJHAHXQNZNMTG-NRFANRHFSA-N 1 1 402.539 0.655 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(CN2CCOCC2)c1 ZINC000604370283 1073769589 /nfs/dbraw/zinc/76/95/89/1073769589.db2.gz HFJHAHXQNZNMTG-OAQYLSRUSA-N 1 1 402.539 0.655 20 0 HCADMO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370293 1073769354 /nfs/dbraw/zinc/76/93/54/1073769354.db2.gz HKLSMOUAFLIMGV-INIZCTEOSA-N 1 1 400.479 0.195 20 0 HCADMO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370294 1073769555 /nfs/dbraw/zinc/76/95/55/1073769555.db2.gz HKLSMOUAFLIMGV-MRXNPFEDSA-N 1 1 400.479 0.195 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370324 1073769284 /nfs/dbraw/zinc/76/92/84/1073769284.db2.gz HULAQUFWACCJBS-MSOLQXFVSA-N 1 1 416.588 0.103 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370334 1073769185 /nfs/dbraw/zinc/76/91/85/1073769185.db2.gz HULAQUFWACCJBS-QZTJIDSGSA-N 1 1 416.588 0.103 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370335 1073769384 /nfs/dbraw/zinc/76/93/84/1073769384.db2.gz HULAQUFWACCJBS-ROUUACIJSA-N 1 1 416.588 0.103 20 0 HCADMO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370337 1073769324 /nfs/dbraw/zinc/76/93/24/1073769324.db2.gz HULAQUFWACCJBS-ZWKOTPCHSA-N 1 1 416.588 0.103 20 0 HCADMO Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000604370342 1073769415 /nfs/dbraw/zinc/76/94/15/1073769415.db2.gz HVYMUMBUCQVNJU-INIZCTEOSA-N 1 1 401.515 0.563 20 0 HCADMO Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[nH]n1 ZINC000604370344 1073769077 /nfs/dbraw/zinc/76/90/77/1073769077.db2.gz HVYMUMBUCQVNJU-MRXNPFEDSA-N 1 1 401.515 0.563 20 0 HCADMO Cn1c2ccccc2n(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1=O ZINC000604370352 1073769654 /nfs/dbraw/zinc/76/96/54/1073769654.db2.gz IFCUARVETAGZNP-KRWDZBQOSA-N 1 1 401.511 0.253 20 0 HCADMO Cn1c2ccccc2n(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1=O ZINC000604370356 1073769473 /nfs/dbraw/zinc/76/94/73/1073769473.db2.gz IFCUARVETAGZNP-QGZVFWFLSA-N 1 1 401.511 0.253 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370397 1073770297 /nfs/dbraw/zinc/77/02/97/1073770297.db2.gz IXQPJUOQFJPPNR-DOTOQJQBSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370398 1073770805 /nfs/dbraw/zinc/77/08/05/1073770805.db2.gz IXQPJUOQFJPPNR-NVXWUHKLSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370399 1073770549 /nfs/dbraw/zinc/77/05/49/1073770549.db2.gz IXQPJUOQFJPPNR-RDJZCZTQSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000604370400 1073770742 /nfs/dbraw/zinc/77/07/42/1073770742.db2.gz IXQPJUOQFJPPNR-WBVHZDCISA-N 1 1 422.476 0.840 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370405 1073772196 /nfs/dbraw/zinc/77/21/96/1073772196.db2.gz JBWIZEAFJNFDQK-LEWJYISDSA-N 1 1 400.523 0.483 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370406 1073772409 /nfs/dbraw/zinc/77/24/09/1073772409.db2.gz JBWIZEAFJNFDQK-NHCUHLMSSA-N 1 1 400.523 0.483 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370407 1073771628 /nfs/dbraw/zinc/77/16/28/1073771628.db2.gz JBWIZEAFJNFDQK-RTWAWAEBSA-N 1 1 400.523 0.483 20 0 HCADMO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370408 1073771805 /nfs/dbraw/zinc/77/18/05/1073771805.db2.gz JBWIZEAFJNFDQK-SFTDATJTSA-N 1 1 400.523 0.483 20 0 HCADMO O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370539 1073774345 /nfs/dbraw/zinc/77/43/45/1073774345.db2.gz JGVORUVOEIBMBK-IBGZPJMESA-N 1 1 409.575 0.921 20 0 HCADMO O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370550 1073774464 /nfs/dbraw/zinc/77/44/64/1073774464.db2.gz JGVORUVOEIBMBK-LJQANCHMSA-N 1 1 409.575 0.921 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370596 1073774572 /nfs/dbraw/zinc/77/45/72/1073774572.db2.gz JZTVXQMBPJYTMW-HKUYNNGSSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370600 1073775275 /nfs/dbraw/zinc/77/52/75/1073775275.db2.gz JZTVXQMBPJYTMW-IEBWSBKVSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370603 1073775109 /nfs/dbraw/zinc/77/51/09/1073775109.db2.gz JZTVXQMBPJYTMW-MJGOQNOKSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000604370604 1073775049 /nfs/dbraw/zinc/77/50/49/1073775049.db2.gz JZTVXQMBPJYTMW-PKOBYXMFSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(CCC(=O)N1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370660 1073773280 /nfs/dbraw/zinc/77/32/80/1073773280.db2.gz DDOZKJSHRMBYNA-GOSISDBHSA-N 1 1 420.579 0.936 20 0 HCADMO O=C(CCC(=O)N1CCc2sccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370664 1073773624 /nfs/dbraw/zinc/77/36/24/1073773624.db2.gz DDOZKJSHRMBYNA-SFHVURJKSA-N 1 1 420.579 0.936 20 0 HCADMO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370680 1073773577 /nfs/dbraw/zinc/77/35/77/1073773577.db2.gz LGIFJYWBKDAKSE-IBGZPJMESA-N 1 1 406.502 0.858 20 0 HCADMO O=C(CCCNC(=O)c1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370682 1073774227 /nfs/dbraw/zinc/77/42/27/1073774227.db2.gz LGIFJYWBKDAKSE-LJQANCHMSA-N 1 1 406.502 0.858 20 0 HCADMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370710 1073774102 /nfs/dbraw/zinc/77/41/02/1073774102.db2.gz LKCUGDVDSQASHB-CRAIPNDOSA-N 1 1 408.930 0.981 20 0 HCADMO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370714 1073774199 /nfs/dbraw/zinc/77/41/99/1073774199.db2.gz LKCUGDVDSQASHB-MAUKXSAKSA-N 1 1 408.930 0.981 20 0 HCADMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370715 1073774506 /nfs/dbraw/zinc/77/45/06/1073774506.db2.gz LKCUGDVDSQASHB-QAPCUYQASA-N 1 1 408.930 0.981 20 0 HCADMO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370716 1073774275 /nfs/dbraw/zinc/77/42/75/1073774275.db2.gz LKCUGDVDSQASHB-YJBOKZPZSA-N 1 1 408.930 0.981 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370727 1073774531 /nfs/dbraw/zinc/77/45/31/1073774531.db2.gz LZXSZXYZSQQFHE-MSOLQXFVSA-N 1 1 416.588 0.103 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370728 1073774064 /nfs/dbraw/zinc/77/40/64/1073774064.db2.gz LZXSZXYZSQQFHE-QZTJIDSGSA-N 1 1 416.588 0.103 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370729 1073774434 /nfs/dbraw/zinc/77/44/34/1073774434.db2.gz LZXSZXYZSQQFHE-ROUUACIJSA-N 1 1 416.588 0.103 20 0 HCADMO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370730 1073774381 /nfs/dbraw/zinc/77/43/81/1073774381.db2.gz LZXSZXYZSQQFHE-ZWKOTPCHSA-N 1 1 416.588 0.103 20 0 HCADMO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604370748 1073774156 /nfs/dbraw/zinc/77/41/56/1073774156.db2.gz ABFXNKWIKQQFBI-KRWDZBQOSA-N 1 1 410.540 0.073 20 0 HCADMO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604370753 1073774310 /nfs/dbraw/zinc/77/43/10/1073774310.db2.gz ABFXNKWIKQQFBI-QGZVFWFLSA-N 1 1 410.540 0.073 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370829 1073771377 /nfs/dbraw/zinc/77/13/77/1073771377.db2.gz ARZOVMJIKBRYLI-PMACEKPBSA-N 1 1 400.523 0.558 20 0 HCADMO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370831 1073772135 /nfs/dbraw/zinc/77/21/35/1073772135.db2.gz FJIKLMTZLWWGIQ-INIZCTEOSA-N 1 1 402.499 0.117 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370836 1073771882 /nfs/dbraw/zinc/77/18/82/1073771882.db2.gz ARZOVMJIKBRYLI-UXHICEINSA-N 1 1 400.523 0.558 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370837 1073771445 /nfs/dbraw/zinc/77/14/45/1073771445.db2.gz ARZOVMJIKBRYLI-VQTJNVASSA-N 1 1 400.523 0.558 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000604370838 1073772899 /nfs/dbraw/zinc/77/28/99/1073772899.db2.gz ARZOVMJIKBRYLI-WOJBJXKFSA-N 1 1 400.523 0.558 20 0 HCADMO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370844 1073773409 /nfs/dbraw/zinc/77/34/09/1073773409.db2.gz FJIKLMTZLWWGIQ-MRXNPFEDSA-N 1 1 402.499 0.117 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604370845 1073772863 /nfs/dbraw/zinc/77/28/63/1073772863.db2.gz NEKCKBMFROALBC-ROUUACIJSA-N 1 1 424.567 0.185 20 0 HCADMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604370851 1073773032 /nfs/dbraw/zinc/77/30/32/1073773032.db2.gz NEKCKBMFROALBC-ZWKOTPCHSA-N 1 1 424.567 0.185 20 0 HCADMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370856 1073772984 /nfs/dbraw/zinc/77/29/84/1073772984.db2.gz FQJHQUOOEGRYIZ-HKUYNNGSSA-N 1 1 403.527 0.359 20 0 HCADMO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370861 1073773510 /nfs/dbraw/zinc/77/35/10/1073773510.db2.gz FQJHQUOOEGRYIZ-IEBWSBKVSA-N 1 1 403.527 0.359 20 0 HCADMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370863 1073773187 /nfs/dbraw/zinc/77/31/87/1073773187.db2.gz FQJHQUOOEGRYIZ-MJGOQNOKSA-N 1 1 403.527 0.359 20 0 HCADMO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370865 1073773310 /nfs/dbraw/zinc/77/33/10/1073773310.db2.gz FQJHQUOOEGRYIZ-PKOBYXMFSA-N 1 1 403.527 0.359 20 0 HCADMO Cc1cccc([C@H](CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370888 1073773539 /nfs/dbraw/zinc/77/35/39/1073773539.db2.gz FWAYWEJLZSZVOL-MOPGFXCFSA-N 1 1 403.527 0.617 20 0 HCADMO Cc1cccc([C@H](CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370907 1073772812 /nfs/dbraw/zinc/77/28/12/1073772812.db2.gz FWAYWEJLZSZVOL-OALUTQOASA-N 1 1 403.527 0.617 20 0 HCADMO Cc1cccc([C@@H](CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370910 1073773248 /nfs/dbraw/zinc/77/32/48/1073773248.db2.gz FWAYWEJLZSZVOL-RBUKOAKNSA-N 1 1 403.527 0.617 20 0 HCADMO Cc1cccc([C@@H](CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(N)=O)c1 ZINC000604370913 1073773078 /nfs/dbraw/zinc/77/30/78/1073773078.db2.gz FWAYWEJLZSZVOL-RTBURBONSA-N 1 1 403.527 0.617 20 0 HCADMO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370919 1073773122 /nfs/dbraw/zinc/77/31/22/1073773122.db2.gz BGZJZTAOLVBWEI-JOCHJYFZSA-N 1 1 415.582 0.327 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)ccc1N1CCOCC1 ZINC000604370922 1073773209 /nfs/dbraw/zinc/77/32/09/1073773209.db2.gz NNMBUEWBKKLPRS-GOSISDBHSA-N 1 1 406.502 0.799 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(F)ccc1N1CCOCC1 ZINC000604370926 1073772934 /nfs/dbraw/zinc/77/29/34/1073772934.db2.gz NNMBUEWBKKLPRS-SFHVURJKSA-N 1 1 406.502 0.799 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370927 1073773387 /nfs/dbraw/zinc/77/33/87/1073773387.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370927 1073773376 /nfs/dbraw/zinc/77/33/76/1073773376.db2.gz NNYVQVGLSKIVDB-LEWJYISDSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370930 1073773442 /nfs/dbraw/zinc/77/34/42/1073773442.db2.gz BGZJZTAOLVBWEI-QFIPXVFZSA-N 1 1 415.582 0.327 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370939 1073771725 /nfs/dbraw/zinc/77/17/25/1073771725.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370939 1073771712 /nfs/dbraw/zinc/77/17/12/1073771712.db2.gz NNYVQVGLSKIVDB-NHCUHLMSSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370941 1073772089 /nfs/dbraw/zinc/77/20/89/1073772089.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370941 1073772071 /nfs/dbraw/zinc/77/20/71/1073772071.db2.gz NNYVQVGLSKIVDB-RTWAWAEBSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000604370945 1073772295 /nfs/dbraw/zinc/77/22/95/1073772295.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 1 1 401.555 0.816 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000604370945 1073772281 /nfs/dbraw/zinc/77/22/81/1073772281.db2.gz NNYVQVGLSKIVDB-SFTDATJTSA-N 1 1 401.555 0.816 20 0 HCADMO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604370968 1073771593 /nfs/dbraw/zinc/77/15/93/1073771593.db2.gz ODLNLGBKJUZBCY-DLBZAZTESA-N 1 1 402.495 0.323 20 0 HCADMO C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604370973 1073771954 /nfs/dbraw/zinc/77/19/54/1073771954.db2.gz ODLNLGBKJUZBCY-IAGOWNOFSA-N 1 1 402.495 0.323 20 0 HCADMO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604370977 1073772343 /nfs/dbraw/zinc/77/23/43/1073772343.db2.gz ODLNLGBKJUZBCY-IRXDYDNUSA-N 1 1 402.495 0.323 20 0 HCADMO C[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604370982 1073771557 /nfs/dbraw/zinc/77/15/57/1073771557.db2.gz ODLNLGBKJUZBCY-SJORKVTESA-N 1 1 402.495 0.323 20 0 HCADMO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370985 1073771328 /nfs/dbraw/zinc/77/13/28/1073771328.db2.gz GOVZQWURUSONRC-AWEZNQCLSA-N 1 1 416.569 0.135 20 0 HCADMO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370985 1073771309 /nfs/dbraw/zinc/77/13/09/1073771309.db2.gz GOVZQWURUSONRC-AWEZNQCLSA-N 1 1 416.569 0.135 20 0 HCADMO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604370991 1073771510 /nfs/dbraw/zinc/77/15/10/1073771510.db2.gz GOVZQWURUSONRC-CQSZACIVSA-N 1 1 416.569 0.135 20 0 HCADMO CN(C)S(=O)(=O)c1ccsc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604370991 1073771497 /nfs/dbraw/zinc/77/14/97/1073771497.db2.gz GOVZQWURUSONRC-CQSZACIVSA-N 1 1 416.569 0.135 20 0 HCADMO CS(=O)(=O)N1CCc2cc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)ccc21 ZINC000604371075 1073771749 /nfs/dbraw/zinc/77/17/49/1073771749.db2.gz PARGPHATWLRIGF-GOSISDBHSA-N 1 1 422.551 0.145 20 0 HCADMO CN1C(=O)N(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000604371080 1073775493 /nfs/dbraw/zinc/77/54/93/1073775493.db2.gz GTWSADACHGLNCD-KRWDZBQOSA-N 1 1 421.542 0.106 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000604371081 1073775256 /nfs/dbraw/zinc/77/52/56/1073775256.db2.gz BJPSXAKVAMISNB-UXHICEINSA-N 1 1 416.522 0.940 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000604371084 1073775404 /nfs/dbraw/zinc/77/54/04/1073775404.db2.gz BJPSXAKVAMISNB-VQTJNVASSA-N 1 1 416.522 0.940 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000604371086 1073775301 /nfs/dbraw/zinc/77/53/01/1073775301.db2.gz BJPSXAKVAMISNB-WOJBJXKFSA-N 1 1 416.522 0.940 20 0 HCADMO CS(=O)(=O)N1CCc2cc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)ccc21 ZINC000604371088 1073775003 /nfs/dbraw/zinc/77/50/03/1073775003.db2.gz PARGPHATWLRIGF-SFHVURJKSA-N 1 1 422.551 0.145 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000604371095 1073775357 /nfs/dbraw/zinc/77/53/57/1073775357.db2.gz CMVSGDYRCYLFQY-MSOLQXFVSA-N 1 1 404.511 0.797 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000604371098 1073775226 /nfs/dbraw/zinc/77/52/26/1073775226.db2.gz CMVSGDYRCYLFQY-QZTJIDSGSA-N 1 1 404.511 0.797 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000604371102 1073775139 /nfs/dbraw/zinc/77/51/39/1073775139.db2.gz CMVSGDYRCYLFQY-ROUUACIJSA-N 1 1 404.511 0.797 20 0 HCADMO CN1C(=O)N(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C(=O)C12CCCCC2 ZINC000604371132 1073775429 /nfs/dbraw/zinc/77/54/29/1073775429.db2.gz GTWSADACHGLNCD-QGZVFWFLSA-N 1 1 421.542 0.106 20 0 HCADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604371195 1073775208 /nfs/dbraw/zinc/77/52/08/1073775208.db2.gz BZGJDCRSLJMPSB-GOSISDBHSA-N 1 1 411.506 0.677 20 0 HCADMO Cc1cc(=O)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604371195 1073775196 /nfs/dbraw/zinc/77/51/96/1073775196.db2.gz BZGJDCRSLJMPSB-GOSISDBHSA-N 1 1 411.506 0.677 20 0 HCADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604371202 1073776410 /nfs/dbraw/zinc/77/64/10/1073776410.db2.gz BZGJDCRSLJMPSB-SFHVURJKSA-N 1 1 411.506 0.677 20 0 HCADMO Cc1cc(=O)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604371202 1073776402 /nfs/dbraw/zinc/77/64/02/1073776402.db2.gz BZGJDCRSLJMPSB-SFHVURJKSA-N 1 1 411.506 0.677 20 0 HCADMO COc1ccc([C@H](CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371204 1073776049 /nfs/dbraw/zinc/77/60/49/1073776049.db2.gz CAPNGMPHSMZHSW-CTNGQTDRSA-N 1 1 418.538 0.785 20 0 HCADMO COc1ccc([C@H](CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371205 1073776463 /nfs/dbraw/zinc/77/64/63/1073776463.db2.gz CAPNGMPHSMZHSW-FPOVZHCZSA-N 1 1 418.538 0.785 20 0 HCADMO COc1ccc([C@@H](CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371206 1073776315 /nfs/dbraw/zinc/77/63/15/1073776315.db2.gz CAPNGMPHSMZHSW-PZJWPPBQSA-N 1 1 418.538 0.785 20 0 HCADMO COc1ccc([C@@H](CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(C)=O)cc1 ZINC000604371208 1073776431 /nfs/dbraw/zinc/77/64/31/1073776431.db2.gz CAPNGMPHSMZHSW-TZIWHRDSSA-N 1 1 418.538 0.785 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000604371233 1073775171 /nfs/dbraw/zinc/77/51/71/1073775171.db2.gz CCPVCRNSGICZNB-KRWDZBQOSA-N 1 1 415.469 0.508 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000604371252 1073775460 /nfs/dbraw/zinc/77/54/60/1073775460.db2.gz CCPVCRNSGICZNB-QGZVFWFLSA-N 1 1 415.469 0.508 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000604371262 1073775080 /nfs/dbraw/zinc/77/50/80/1073775080.db2.gz CICGZYOZYWCJSA-KRWDZBQOSA-N 1 1 411.506 0.479 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000604371264 1073775377 /nfs/dbraw/zinc/77/53/77/1073775377.db2.gz CICGZYOZYWCJSA-QGZVFWFLSA-N 1 1 411.506 0.479 20 0 HCADMO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371273 1073775527 /nfs/dbraw/zinc/77/55/27/1073775527.db2.gz CQDRXQOSKXFWPM-GOSISDBHSA-N 1 1 407.490 0.148 20 0 HCADMO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371282 1073775332 /nfs/dbraw/zinc/77/53/32/1073775332.db2.gz CQDRXQOSKXFWPM-SFHVURJKSA-N 1 1 407.490 0.148 20 0 HCADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000604371425 1073779728 /nfs/dbraw/zinc/77/97/28/1073779728.db2.gz SJKPQYKQXYZSIL-KRWDZBQOSA-N 1 1 402.474 0.851 20 0 HCADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccc(F)cc1 ZINC000604371426 1073779322 /nfs/dbraw/zinc/77/93/22/1073779322.db2.gz SJKPQYKQXYZSIL-QGZVFWFLSA-N 1 1 402.474 0.851 20 0 HCADMO Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371438 1073779422 /nfs/dbraw/zinc/77/94/22/1073779422.db2.gz HRZDUGOBFGGAKC-LEWJYISDSA-N 1 1 414.550 0.866 20 0 HCADMO Cc1ccc(CN2C[C@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371439 1073779048 /nfs/dbraw/zinc/77/90/48/1073779048.db2.gz HRZDUGOBFGGAKC-NHCUHLMSSA-N 1 1 414.550 0.866 20 0 HCADMO Cc1ccc(CN2C[C@H](C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371442 1073779255 /nfs/dbraw/zinc/77/92/55/1073779255.db2.gz HRZDUGOBFGGAKC-RTWAWAEBSA-N 1 1 414.550 0.866 20 0 HCADMO Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371443 1073779161 /nfs/dbraw/zinc/77/91/61/1073779161.db2.gz HRZDUGOBFGGAKC-SFTDATJTSA-N 1 1 414.550 0.866 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000604371564 1073779288 /nfs/dbraw/zinc/77/92/88/1073779288.db2.gz FMBFGBNCBDLWAX-GOSISDBHSA-N 1 1 422.551 0.363 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000604371567 1073779672 /nfs/dbraw/zinc/77/96/72/1073779672.db2.gz FMBFGBNCBDLWAX-SFHVURJKSA-N 1 1 422.551 0.363 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000604371608 1073779117 /nfs/dbraw/zinc/77/91/17/1073779117.db2.gz VPBFPDRGZDADFZ-GOSISDBHSA-N 1 1 422.551 0.264 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000604371613 1073779586 /nfs/dbraw/zinc/77/95/86/1073779586.db2.gz VPBFPDRGZDADFZ-SFHVURJKSA-N 1 1 422.551 0.264 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000604371663 1073778224 /nfs/dbraw/zinc/77/82/24/1073778224.db2.gz KQPKUPMUPZTXDY-CYBMUJFWSA-N 1 1 424.303 0.023 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nc2ncc(Br)cn2n1 ZINC000604371664 1073778254 /nfs/dbraw/zinc/77/82/54/1073778254.db2.gz KQPKUPMUPZTXDY-ZDUSSCGKSA-N 1 1 424.303 0.023 20 0 HCADMO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC000604371670 1073778112 /nfs/dbraw/zinc/77/81/12/1073778112.db2.gz KWQXPEMHFYIDHE-BATSVXPKSA-N 1 1 421.542 0.010 20 0 HCADMO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC000604371671 1073778618 /nfs/dbraw/zinc/77/86/18/1073778618.db2.gz KWQXPEMHFYIDHE-BQIYRTECSA-N 1 1 421.542 0.010 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000604371674 1073778038 /nfs/dbraw/zinc/77/80/38/1073778038.db2.gz KXYHYAPSIFUMAM-PMACEKPBSA-N 1 1 400.523 0.814 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000604371675 1073778435 /nfs/dbraw/zinc/77/84/35/1073778435.db2.gz KXYHYAPSIFUMAM-UXHICEINSA-N 1 1 400.523 0.814 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000604371676 1073778536 /nfs/dbraw/zinc/77/85/36/1073778536.db2.gz KXYHYAPSIFUMAM-VQTJNVASSA-N 1 1 400.523 0.814 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000604371677 1073778309 /nfs/dbraw/zinc/77/83/09/1073778309.db2.gz KXYHYAPSIFUMAM-WOJBJXKFSA-N 1 1 400.523 0.814 20 0 HCADMO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC000604371692 1073778490 /nfs/dbraw/zinc/77/84/90/1073778490.db2.gz DLMXOQKTYYGKBL-INIZCTEOSA-N 1 1 400.479 0.114 20 0 HCADMO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2=O ZINC000604371693 1073778337 /nfs/dbraw/zinc/77/83/37/1073778337.db2.gz DLMXOQKTYYGKBL-MRXNPFEDSA-N 1 1 400.479 0.114 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604371694 1073778151 /nfs/dbraw/zinc/77/81/51/1073778151.db2.gz DNTAFAQCFOWVKS-GOSISDBHSA-N 1 1 424.567 0.050 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604371695 1073778582 /nfs/dbraw/zinc/77/85/82/1073778582.db2.gz DNTAFAQCFOWVKS-SFHVURJKSA-N 1 1 424.567 0.050 20 0 HCADMO COc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371726 1073778280 /nfs/dbraw/zinc/77/82/80/1073778280.db2.gz FIXCTBRQAQXTTB-MSOLQXFVSA-N 1 1 416.522 0.571 20 0 HCADMO COc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371728 1073777910 /nfs/dbraw/zinc/77/79/10/1073777910.db2.gz FIXCTBRQAQXTTB-QZTJIDSGSA-N 1 1 416.522 0.571 20 0 HCADMO COc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)cc1 ZINC000604371731 1073779392 /nfs/dbraw/zinc/77/93/92/1073779392.db2.gz FIXCTBRQAQXTTB-ZWKOTPCHSA-N 1 1 416.522 0.571 20 0 HCADMO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371881 1073776974 /nfs/dbraw/zinc/77/69/74/1073776974.db2.gz VQGUTCWXFYLWRO-INIZCTEOSA-N 1 1 404.540 0.988 20 0 HCADMO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371881 1073776962 /nfs/dbraw/zinc/77/69/62/1073776962.db2.gz VQGUTCWXFYLWRO-INIZCTEOSA-N 1 1 404.540 0.988 20 0 HCADMO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371884 1073777585 /nfs/dbraw/zinc/77/75/85/1073777585.db2.gz VQGUTCWXFYLWRO-MRXNPFEDSA-N 1 1 404.540 0.988 20 0 HCADMO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604371884 1073777577 /nfs/dbraw/zinc/77/75/77/1073777577.db2.gz VQGUTCWXFYLWRO-MRXNPFEDSA-N 1 1 404.540 0.988 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000604371885 1073778084 /nfs/dbraw/zinc/77/80/84/1073778084.db2.gz VRZYVMDFXKCQGG-IBGZPJMESA-N 1 1 411.506 0.428 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000604371888 1073778392 /nfs/dbraw/zinc/77/83/92/1073778392.db2.gz VRZYVMDFXKCQGG-LJQANCHMSA-N 1 1 411.506 0.428 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604371902 1073778181 /nfs/dbraw/zinc/77/81/81/1073778181.db2.gz GVQDHPLRBWATHO-GOSISDBHSA-N 1 1 424.567 0.186 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604371906 1073777994 /nfs/dbraw/zinc/77/79/94/1073777994.db2.gz GVQDHPLRBWATHO-SFHVURJKSA-N 1 1 424.567 0.186 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000604371943 1073777956 /nfs/dbraw/zinc/77/79/56/1073777956.db2.gz WRZPRBLJSJZHMD-IBGZPJMESA-N 1 1 414.506 0.472 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000604371953 1073778361 /nfs/dbraw/zinc/77/83/61/1073778361.db2.gz WRZPRBLJSJZHMD-LJQANCHMSA-N 1 1 414.506 0.472 20 0 HCADMO Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371959 1073777197 /nfs/dbraw/zinc/77/71/97/1073777197.db2.gz LBRUIPAFTCJLPB-GOSISDBHSA-N 1 1 400.527 0.801 20 0 HCADMO Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371963 1073777233 /nfs/dbraw/zinc/77/72/33/1073777233.db2.gz LBRUIPAFTCJLPB-SFHVURJKSA-N 1 1 400.527 0.801 20 0 HCADMO Cc1ccccc1[C@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371974 1073777474 /nfs/dbraw/zinc/77/74/74/1073777474.db2.gz HMZMALZQDQAKHC-HKUYNNGSSA-N 1 1 403.527 0.617 20 0 HCADMO Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371976 1073776888 /nfs/dbraw/zinc/77/68/88/1073776888.db2.gz HMZMALZQDQAKHC-IEBWSBKVSA-N 1 1 403.527 0.617 20 0 HCADMO Cc1ccccc1[C@H](CC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371977 1073777323 /nfs/dbraw/zinc/77/73/23/1073777323.db2.gz HMZMALZQDQAKHC-MJGOQNOKSA-N 1 1 403.527 0.617 20 0 HCADMO CCCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604371978 1073777076 /nfs/dbraw/zinc/77/70/76/1073777076.db2.gz WZFIJMOWUUEKNP-IBGZPJMESA-N 1 1 424.567 0.975 20 0 HCADMO CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604371979 1073777403 /nfs/dbraw/zinc/77/74/03/1073777403.db2.gz WZFIJMOWUUEKNP-LJQANCHMSA-N 1 1 424.567 0.975 20 0 HCADMO Cc1ccccc1[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC(N)=O ZINC000604371980 1073777363 /nfs/dbraw/zinc/77/73/63/1073777363.db2.gz HMZMALZQDQAKHC-PKOBYXMFSA-N 1 1 403.527 0.617 20 0 HCADMO O=C(CCc1nc(-c2ccccn2)no1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604371991 1073777032 /nfs/dbraw/zinc/77/70/32/1073777032.db2.gz XDTGXWNGSXJBLF-INIZCTEOSA-N 1 1 400.483 0.587 20 0 HCADMO Cc1sc2ncn(CC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c(=O)c2c1C ZINC000604372000 1073777436 /nfs/dbraw/zinc/77/74/36/1073777436.db2.gz LEYCWXDKMYLMKP-INIZCTEOSA-N 1 1 419.551 0.598 20 0 HCADMO Cc1sc2ncn(CC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c(=O)c2c1C ZINC000604372001 1073777133 /nfs/dbraw/zinc/77/71/33/1073777133.db2.gz LEYCWXDKMYLMKP-MRXNPFEDSA-N 1 1 419.551 0.598 20 0 HCADMO O=C(CCc1nc(-c2ccccn2)no1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372010 1073777263 /nfs/dbraw/zinc/77/72/63/1073777263.db2.gz XDTGXWNGSXJBLF-MRXNPFEDSA-N 1 1 400.483 0.587 20 0 HCADMO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604372037 1073776928 /nfs/dbraw/zinc/77/69/28/1073776928.db2.gz LLAHDQMILMJIHY-ABHNRTSZSA-N 1 1 416.588 0.007 20 0 HCADMO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000604372051 1073777537 /nfs/dbraw/zinc/77/75/37/1073777537.db2.gz LLAHDQMILMJIHY-DAWZGUTISA-N 1 1 416.588 0.007 20 0 HCADMO O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372092 1073777162 /nfs/dbraw/zinc/77/71/62/1073777162.db2.gz JAGPYZSXSMVZSP-KRWDZBQOSA-N 1 1 402.495 0.897 20 0 HCADMO O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372097 1073777296 /nfs/dbraw/zinc/77/72/96/1073777296.db2.gz JAGPYZSXSMVZSP-QGZVFWFLSA-N 1 1 402.495 0.897 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000604372101 1073776541 /nfs/dbraw/zinc/77/65/41/1073776541.db2.gz JBQWVGTYHDQTBA-HNNXBMFYSA-N 1 1 405.890 0.452 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000604372105 1073776250 /nfs/dbraw/zinc/77/62/50/1073776250.db2.gz JBQWVGTYHDQTBA-OAHLLOKOSA-N 1 1 405.890 0.452 20 0 HCADMO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372162 1073776376 /nfs/dbraw/zinc/77/63/76/1073776376.db2.gz NYSYIGCCHQYTKB-INIZCTEOSA-N 1 1 415.494 0.015 20 0 HCADMO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372163 1073776131 /nfs/dbraw/zinc/77/61/31/1073776131.db2.gz NYSYIGCCHQYTKB-MRXNPFEDSA-N 1 1 415.494 0.015 20 0 HCADMO CS(=O)(=O)Nc1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC000604372166 1073776345 /nfs/dbraw/zinc/77/63/45/1073776345.db2.gz OBIMUJJYUSFGLV-HNNXBMFYSA-N 1 1 414.503 0.334 20 0 HCADMO CS(=O)(=O)Nc1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC000604372167 1073775909 /nfs/dbraw/zinc/77/59/09/1073775909.db2.gz OBIMUJJYUSFGLV-OAHLLOKOSA-N 1 1 414.503 0.334 20 0 HCADMO CCn1c2ccccc2n(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1=O ZINC000604372202 1073776510 /nfs/dbraw/zinc/77/65/10/1073776510.db2.gz ZBUZINFOBSEAOD-KRWDZBQOSA-N 1 1 401.511 0.346 20 0 HCADMO CCn1c2ccccc2n(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1=O ZINC000604372205 1073777099 /nfs/dbraw/zinc/77/70/99/1073777099.db2.gz ZBUZINFOBSEAOD-QGZVFWFLSA-N 1 1 401.511 0.346 20 0 HCADMO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604372246 1073776017 /nfs/dbraw/zinc/77/60/17/1073776017.db2.gz ZXWGAHKSUHHGSM-MSOLQXFVSA-N 1 1 416.522 0.713 20 0 HCADMO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604372247 1073776487 /nfs/dbraw/zinc/77/64/87/1073776487.db2.gz ZXWGAHKSUHHGSM-QZTJIDSGSA-N 1 1 416.522 0.713 20 0 HCADMO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC000604372248 1073775947 /nfs/dbraw/zinc/77/59/47/1073775947.db2.gz ZXWGAHKSUHHGSM-ROUUACIJSA-N 1 1 416.522 0.713 20 0 HCADMO CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604372344 1073776285 /nfs/dbraw/zinc/77/62/85/1073776285.db2.gz JTUBVHGMXXIWTK-GOSISDBHSA-N 1 1 410.540 0.123 20 0 HCADMO CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604372345 1073775979 /nfs/dbraw/zinc/77/59/79/1073775979.db2.gz JTUBVHGMXXIWTK-SFHVURJKSA-N 1 1 410.540 0.123 20 0 HCADMO Cc1nn(C)c2nc(C)c(CC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c(C)c12 ZINC000604372382 1073779546 /nfs/dbraw/zinc/77/95/46/1073779546.db2.gz LEUYOTMRLCZDJG-GOSISDBHSA-N 1 1 414.554 0.959 20 0 HCADMO Cc1nn(C)c2nc(C)c(CC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c(C)c12 ZINC000604372383 1073779226 /nfs/dbraw/zinc/77/92/26/1073779226.db2.gz LEUYOTMRLCZDJG-SFHVURJKSA-N 1 1 414.554 0.959 20 0 HCADMO CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604372390 1073779197 /nfs/dbraw/zinc/77/91/97/1073779197.db2.gz LKQHCMPTNDQPBS-IBGZPJMESA-N 1 1 424.567 0.975 20 0 HCADMO CCCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604372391 1073779623 /nfs/dbraw/zinc/77/96/23/1073779623.db2.gz LKQHCMPTNDQPBS-LJQANCHMSA-N 1 1 424.567 0.975 20 0 HCADMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604372409 1073796754 /nfs/dbraw/zinc/79/67/54/1073796754.db2.gz JOMLCZYVADZCDL-KRWDZBQOSA-N 1 1 424.567 0.430 20 0 HCADMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604372414 1073796905 /nfs/dbraw/zinc/79/69/05/1073796905.db2.gz JOMLCZYVADZCDL-QGZVFWFLSA-N 1 1 424.567 0.430 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000604372423 1073796364 /nfs/dbraw/zinc/79/63/64/1073796364.db2.gz MBYGDLDQTSBHBL-IRXDYDNUSA-N 1 1 406.552 0.875 20 0 HCADMO CSc1nc(C)c(CCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(=O)[nH]1 ZINC000604372426 1073796947 /nfs/dbraw/zinc/79/69/47/1073796947.db2.gz JWHOGASFVMRTLW-HNNXBMFYSA-N 1 1 409.556 0.668 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000604372427 1073796629 /nfs/dbraw/zinc/79/66/29/1073796629.db2.gz MBYGDLDQTSBHBL-SJORKVTESA-N 1 1 406.552 0.875 20 0 HCADMO CSc1nc(C)c(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(=O)[nH]1 ZINC000604372434 1073796517 /nfs/dbraw/zinc/79/65/17/1073796517.db2.gz JWHOGASFVMRTLW-OAHLLOKOSA-N 1 1 409.556 0.668 20 0 HCADMO O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372450 1073797916 /nfs/dbraw/zinc/79/79/16/1073797916.db2.gz MGYBLBHTHMBPFW-KRWDZBQOSA-N 1 1 402.495 0.325 20 0 HCADMO O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604372457 1073797856 /nfs/dbraw/zinc/79/78/56/1073797856.db2.gz MGYBLBHTHMBPFW-QGZVFWFLSA-N 1 1 402.495 0.325 20 0 HCADMO CC1CCC(N2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372459 1073797832 /nfs/dbraw/zinc/79/78/32/1073797832.db2.gz KHFMJWFPIUTWKQ-FUFFSDJGSA-N 1 1 406.571 0.936 20 0 HCADMO CC1CCC(N2C[C@H](C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372469 1073798206 /nfs/dbraw/zinc/79/82/06/1073798206.db2.gz KHFMJWFPIUTWKQ-KAXARAQCSA-N 1 1 406.571 0.936 20 0 HCADMO CC1CCC(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372472 1073797609 /nfs/dbraw/zinc/79/76/09/1073797609.db2.gz KHFMJWFPIUTWKQ-NUVZVAJJSA-N 1 1 406.571 0.936 20 0 HCADMO CC1CCC(N2C[C@H](C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)CC2=O)CC1 ZINC000604372474 1073798154 /nfs/dbraw/zinc/79/81/54/1073798154.db2.gz KHFMJWFPIUTWKQ-WBFXSEPVSA-N 1 1 406.571 0.936 20 0 HCADMO 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O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372505 1073797518 /nfs/dbraw/zinc/79/75/18/1073797518.db2.gz LFDLFOSPTDFHCF-IAGOWNOFSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372508 1073797682 /nfs/dbraw/zinc/79/76/82/1073797682.db2.gz LFDLFOSPTDFHCF-IRXDYDNUSA-N 1 1 404.486 0.701 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000604372509 1073798007 /nfs/dbraw/zinc/79/80/07/1073798007.db2.gz LFDLFOSPTDFHCF-SJORKVTESA-N 1 1 404.486 0.701 20 0 HCADMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1NS(C)(=O)=O ZINC000604372531 1073798043 /nfs/dbraw/zinc/79/80/43/1073798043.db2.gz LXZRMOYGIDQCIZ-KRWDZBQOSA-N 1 1 410.540 0.503 20 0 HCADMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1NS(C)(=O)=O ZINC000604372536 1073798096 /nfs/dbraw/zinc/79/80/96/1073798096.db2.gz LXZRMOYGIDQCIZ-QGZVFWFLSA-N 1 1 410.540 0.503 20 0 HCADMO 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XIUHMATYYKXVHZ-GOSISDBHSA-N 1 1 417.506 0.943 20 0 HCADMO O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373223 1073780525 /nfs/dbraw/zinc/78/05/25/1073780525.db2.gz XIUHMATYYKXVHZ-GOSISDBHSA-N 1 1 417.506 0.943 20 0 HCADMO O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373224 1073780433 /nfs/dbraw/zinc/78/04/33/1073780433.db2.gz XIUHMATYYKXVHZ-SFHVURJKSA-N 1 1 417.506 0.943 20 0 HCADMO O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604373224 1073780415 /nfs/dbraw/zinc/78/04/15/1073780415.db2.gz XIUHMATYYKXVHZ-SFHVURJKSA-N 1 1 417.506 0.943 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000604373238 1073780745 /nfs/dbraw/zinc/78/07/45/1073780745.db2.gz XQBLPBLJDPYCCR-MOPGFXCFSA-N 1 1 407.559 0.437 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000604373239 1073780306 /nfs/dbraw/zinc/78/03/06/1073780306.db2.gz XQBLPBLJDPYCCR-OALUTQOASA-N 1 1 407.559 0.437 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000604373240 1073780363 /nfs/dbraw/zinc/78/03/63/1073780363.db2.gz XQBLPBLJDPYCCR-RBUKOAKNSA-N 1 1 407.559 0.437 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000604373241 1073781272 /nfs/dbraw/zinc/78/12/72/1073781272.db2.gz XQBLPBLJDPYCCR-RTBURBONSA-N 1 1 407.559 0.437 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000604373250 1073780172 /nfs/dbraw/zinc/78/01/72/1073780172.db2.gz YLMRWBSNPJIDMN-AWEZNQCLSA-N 1 1 405.890 0.452 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000604373251 1073781040 /nfs/dbraw/zinc/78/10/40/1073781040.db2.gz YLMRWBSNPJIDMN-CQSZACIVSA-N 1 1 405.890 0.452 20 0 HCADMO O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373264 1073780846 /nfs/dbraw/zinc/78/08/46/1073780846.db2.gz VPEXCJAMFOBUNG-IBGZPJMESA-N 1 1 416.522 0.937 20 0 HCADMO O=C(COc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373265 1073780212 /nfs/dbraw/zinc/78/02/12/1073780212.db2.gz VPEXCJAMFOBUNG-LJQANCHMSA-N 1 1 416.522 0.937 20 0 HCADMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604373280 1073779084 /nfs/dbraw/zinc/77/90/84/1073779084.db2.gz WBWBDYLPTMNACN-GOSISDBHSA-N 1 1 417.510 0.740 20 0 HCADMO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604373281 1073779364 /nfs/dbraw/zinc/77/93/64/1073779364.db2.gz WBWBDYLPTMNACN-SFHVURJKSA-N 1 1 417.510 0.740 20 0 HCADMO CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604373291 1073779777 /nfs/dbraw/zinc/77/97/77/1073779777.db2.gz ZFVNAKMJOKARGN-KRWDZBQOSA-N 1 1 410.540 0.121 20 0 HCADMO CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604373292 1073779465 /nfs/dbraw/zinc/77/94/65/1073779465.db2.gz ZFVNAKMJOKARGN-QGZVFWFLSA-N 1 1 410.540 0.121 20 0 HCADMO O=C(Cn1nc(-c2ccccc2)oc1=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373349 1073779505 /nfs/dbraw/zinc/77/95/05/1073779505.db2.gz XWCPYHXBMQYSKR-KRWDZBQOSA-N 1 1 401.467 0.026 20 0 HCADMO O=C(Cn1nc(-c2ccccc2)oc1=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373352 1073781109 /nfs/dbraw/zinc/78/11/09/1073781109.db2.gz XWCPYHXBMQYSKR-QGZVFWFLSA-N 1 1 401.467 0.026 20 0 HCADMO O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373414 1073798893 /nfs/dbraw/zinc/79/88/93/1073798893.db2.gz ZASDUUOEQOJIJE-KRWDZBQOSA-N 1 1 402.495 0.473 20 0 HCADMO O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373415 1073799274 /nfs/dbraw/zinc/79/92/74/1073799274.db2.gz ZASDUUOEQOJIJE-QGZVFWFLSA-N 1 1 402.495 0.473 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000604373418 1073799232 /nfs/dbraw/zinc/79/92/32/1073799232.db2.gz ZQZHSWQVLAKKCM-MOPGFXCFSA-N 1 1 418.563 0.724 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000604373419 1073798975 /nfs/dbraw/zinc/79/89/75/1073798975.db2.gz ZQZHSWQVLAKKCM-OALUTQOASA-N 1 1 418.563 0.724 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000604373420 1073800010 /nfs/dbraw/zinc/80/00/10/1073800010.db2.gz ZQZHSWQVLAKKCM-RBUKOAKNSA-N 1 1 418.563 0.724 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000604373421 1073800042 /nfs/dbraw/zinc/80/00/42/1073800042.db2.gz ZQZHSWQVLAKKCM-RTBURBONSA-N 1 1 418.563 0.724 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604373471 1073799899 /nfs/dbraw/zinc/79/98/99/1073799899.db2.gz SQXUDFBAMYBUNI-KRWDZBQOSA-N 1 1 410.540 0.073 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604373472 1073800022 /nfs/dbraw/zinc/80/00/22/1073800022.db2.gz SQXUDFBAMYBUNI-QGZVFWFLSA-N 1 1 410.540 0.073 20 0 HCADMO COc1ccc(-n2nnc(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)c2C)cc1 ZINC000604373627 1073799102 /nfs/dbraw/zinc/79/91/02/1073799102.db2.gz WOGRGLBYVYDPAI-KRWDZBQOSA-N 1 1 414.510 0.721 20 0 HCADMO COc1ccc(-n2nnc(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)c2C)cc1 ZINC000604373628 1073798947 /nfs/dbraw/zinc/79/89/47/1073798947.db2.gz WOGRGLBYVYDPAI-QGZVFWFLSA-N 1 1 414.510 0.721 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000604373635 1073798729 /nfs/dbraw/zinc/79/87/29/1073798729.db2.gz WTKBZYCAIZXBHU-BDXSIMOUSA-N 1 1 406.527 0.073 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000604373636 1073799014 /nfs/dbraw/zinc/79/90/14/1073799014.db2.gz WTKBZYCAIZXBHU-BRSBDYLESA-N 1 1 406.527 0.073 20 0 HCADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000604373637 1073799153 /nfs/dbraw/zinc/79/91/53/1073799153.db2.gz WTKBZYCAIZXBHU-TVFCKZIOSA-N 1 1 406.527 0.073 20 0 HCADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000604373638 1073798612 /nfs/dbraw/zinc/79/86/12/1073798612.db2.gz WTKBZYCAIZXBHU-XDNAFOTISA-N 1 1 406.527 0.073 20 0 HCADMO O=C(CNC(=O)c1cc2c(s1)CCCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373643 1073799064 /nfs/dbraw/zinc/79/90/64/1073799064.db2.gz XCPCRGFISWBQLL-KRWDZBQOSA-N 1 1 420.579 0.879 20 0 HCADMO O=C(CNC(=O)c1cc2c(s1)CCCC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373644 1073799127 /nfs/dbraw/zinc/79/91/27/1073799127.db2.gz XCPCRGFISWBQLL-QGZVFWFLSA-N 1 1 420.579 0.879 20 0 HCADMO O=C(CCn1cc(Br)cn1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373689 1073798919 /nfs/dbraw/zinc/79/89/19/1073798919.db2.gz YQQXMDUQVHVBRR-HNNXBMFYSA-N 1 1 400.321 0.558 20 0 HCADMO O=C(CCn1cc(Br)cn1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604373690 1073798869 /nfs/dbraw/zinc/79/88/69/1073798869.db2.gz YQQXMDUQVHVBRR-OAHLLOKOSA-N 1 1 400.321 0.558 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000604373701 1073799083 /nfs/dbraw/zinc/79/90/83/1073799083.db2.gz ZKLDCISOIGVJNN-DOTOQJQBSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000604373702 1073799189 /nfs/dbraw/zinc/79/91/89/1073799189.db2.gz ZKLDCISOIGVJNN-NVXWUHKLSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000604373703 1073799035 /nfs/dbraw/zinc/79/90/35/1073799035.db2.gz ZKLDCISOIGVJNN-RDJZCZTQSA-N 1 1 422.476 0.840 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000604373704 1073798832 /nfs/dbraw/zinc/79/88/32/1073798832.db2.gz ZKLDCISOIGVJNN-WBVHZDCISA-N 1 1 422.476 0.840 20 0 HCADMO CCc1[nH]n(C)c2nnc(NC(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)c1-2 ZINC000604374045 1073797861 /nfs/dbraw/zinc/79/78/61/1073797861.db2.gz BGOPLUTXFHHMIP-AWEZNQCLSA-N 1 1 403.487 0.511 20 0 HCADMO CCc1[nH]n(C)c2nnc(NC(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)c1-2 ZINC000604374046 1073797380 /nfs/dbraw/zinc/79/73/80/1073797380.db2.gz BGOPLUTXFHHMIP-CQSZACIVSA-N 1 1 403.487 0.511 20 0 HCADMO 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O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000604375634 1073800244 /nfs/dbraw/zinc/80/02/44/1073800244.db2.gz DBIMVSXGGXZSSA-GOSISDBHSA-N 1 1 406.502 0.799 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000604375635 1073800378 /nfs/dbraw/zinc/80/03/78/1073800378.db2.gz DBIMVSXGGXZSSA-SFHVURJKSA-N 1 1 406.502 0.799 20 0 HCADMO CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604375650 1073800272 /nfs/dbraw/zinc/80/02/72/1073800272.db2.gz DQJCNDJXAUPXHX-INIZCTEOSA-N 1 1 410.540 0.039 20 0 HCADMO CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604375651 1073800355 /nfs/dbraw/zinc/80/03/55/1073800355.db2.gz DQJCNDJXAUPXHX-MRXNPFEDSA-N 1 1 410.540 0.039 20 0 HCADMO Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604376134 1073800058 /nfs/dbraw/zinc/80/00/58/1073800058.db2.gz GABUQXXYZGZDBE-HNNXBMFYSA-N 1 1 414.510 0.688 20 0 HCADMO 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/nfs/dbraw/zinc/81/50/50/1073815050.db2.gz NRKPWGCSHYWAAK-HIFRSBDPSA-N 1 1 423.539 0.984 20 0 HCADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000604526776 1073815024 /nfs/dbraw/zinc/81/50/24/1073815024.db2.gz NRKPWGCSHYWAAK-UKRRQHHQSA-N 1 1 423.539 0.984 20 0 HCADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)no1 ZINC000604526777 1073815071 /nfs/dbraw/zinc/81/50/71/1073815071.db2.gz NRKPWGCSHYWAAK-ZFWWWQNUSA-N 1 1 423.539 0.984 20 0 HCADMO COC(=O)[C@H](C)C[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccccc1 ZINC000604540462 1073816295 /nfs/dbraw/zinc/81/62/95/1073816295.db2.gz DISCIKODSTXHLE-GOSISDBHSA-N 1 1 418.538 0.530 20 0 HCADMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccccc1 ZINC000604540463 1073816265 /nfs/dbraw/zinc/81/62/65/1073816265.db2.gz DISCIKODSTXHLE-SFHVURJKSA-N 1 1 418.538 0.530 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[C@H](C)O1 ZINC000604576376 1073818065 /nfs/dbraw/zinc/81/80/65/1073818065.db2.gz FFFCWOOLOBORND-BETUJISGSA-N 1 1 402.492 0.772 20 0 HCADMO CC(C)[C@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[NH+]1CCOCC1 ZINC000604576732 1073818483 /nfs/dbraw/zinc/81/84/83/1073818483.db2.gz XXDOJXSYNFKSEP-INIZCTEOSA-N 1 1 402.492 0.629 20 0 HCADMO CC(C)[C@@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)[NH+]1CCOCC1 ZINC000604576733 1073818531 /nfs/dbraw/zinc/81/85/31/1073818531.db2.gz XXDOJXSYNFKSEP-MRXNPFEDSA-N 1 1 402.492 0.629 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000604577394 1073818156 /nfs/dbraw/zinc/81/81/56/1073818156.db2.gz CNMADCAMWKHLIZ-GOSISDBHSA-N 1 1 417.510 0.306 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000604577395 1073818078 /nfs/dbraw/zinc/81/80/78/1073818078.db2.gz CNMADCAMWKHLIZ-SFHVURJKSA-N 1 1 417.510 0.306 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000604577401 1073818559 /nfs/dbraw/zinc/81/85/59/1073818559.db2.gz DBCAEOMKPPAYHA-UHFFFAOYSA-N 1 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Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000604588310 1073819309 /nfs/dbraw/zinc/81/93/09/1073819309.db2.gz CTPBTWZNRSUOOW-SFHVURJKSA-N 1 1 405.547 0.204 20 0 HCADMO COc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000604596041 1073819984 /nfs/dbraw/zinc/81/99/84/1073819984.db2.gz GBHQTVYTXOCNNV-APWZRJJASA-N 1 1 403.527 0.731 20 0 HCADMO COc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000604596042 1073819951 /nfs/dbraw/zinc/81/99/51/1073819951.db2.gz GBHQTVYTXOCNNV-LPHOPBHVSA-N 1 1 403.527 0.731 20 0 HCADMO COc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000604596043 1073819851 /nfs/dbraw/zinc/81/98/51/1073819851.db2.gz GBHQTVYTXOCNNV-QFBILLFUSA-N 1 1 403.527 0.731 20 0 HCADMO COc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)C[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000604596044 1073819862 /nfs/dbraw/zinc/81/98/62/1073819862.db2.gz GBHQTVYTXOCNNV-VQIMIIECSA-N 1 1 403.527 0.731 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)[C@@H](C)C1 ZINC000604597543 1073819969 /nfs/dbraw/zinc/81/99/69/1073819969.db2.gz VDHZGZVBUAFUAR-BBWFWOEESA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)[C@H](C)C1 ZINC000604597544 1073819994 /nfs/dbraw/zinc/81/99/94/1073819994.db2.gz VDHZGZVBUAFUAR-IKGGRYGDSA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)[C@@H](C)C1 ZINC000604597545 1073819888 /nfs/dbraw/zinc/81/98/88/1073819888.db2.gz VDHZGZVBUAFUAR-ULQDDVLXSA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)[C@H](C)C1 ZINC000604597546 1073819832 /nfs/dbraw/zinc/81/98/32/1073819832.db2.gz VDHZGZVBUAFUAR-ZACQAIPSSA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000604597612 1073817436 /nfs/dbraw/zinc/81/74/36/1073817436.db2.gz XDDMNLGQBDZJDP-DLBZAZTESA-N 1 1 419.592 0.257 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@H](C)C1 ZINC000604597613 1073817547 /nfs/dbraw/zinc/81/75/47/1073817547.db2.gz XDDMNLGQBDZJDP-IAGOWNOFSA-N 1 1 419.592 0.257 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000604597614 1073817502 /nfs/dbraw/zinc/81/75/02/1073817502.db2.gz XDDMNLGQBDZJDP-IRXDYDNUSA-N 1 1 419.592 0.257 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)[C@H](C)C1 ZINC000604597615 1073817441 /nfs/dbraw/zinc/81/74/41/1073817441.db2.gz XDDMNLGQBDZJDP-SJORKVTESA-N 1 1 419.592 0.257 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)[C@@H](C)C1 ZINC000604597902 1073817509 /nfs/dbraw/zinc/81/75/09/1073817509.db2.gz HTFIMSVPSKZEPB-BBWFWOEESA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)[C@H](C)C1 ZINC000604597903 1073817460 /nfs/dbraw/zinc/81/74/60/1073817460.db2.gz HTFIMSVPSKZEPB-IKGGRYGDSA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)[C@@H](C)C1 ZINC000604597904 1073817417 /nfs/dbraw/zinc/81/74/17/1073817417.db2.gz HTFIMSVPSKZEPB-ULQDDVLXSA-N 1 1 404.577 0.847 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)[C@H](C)C1 ZINC000604597905 1073817520 /nfs/dbraw/zinc/81/75/20/1073817520.db2.gz HTFIMSVPSKZEPB-ZACQAIPSSA-N 1 1 404.577 0.847 20 0 HCADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000604601939 1073826379 /nfs/dbraw/zinc/82/63/79/1073826379.db2.gz UUIOJOLTIGRPCX-UHFFFAOYSA-N 1 1 420.510 0.907 20 0 HCADMO Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000604604236 1073819825 /nfs/dbraw/zinc/81/98/25/1073819825.db2.gz VMXYHYHBHXXBPX-UHFFFAOYSA-N 1 1 409.487 0.735 20 0 HCADMO COc1cc(OC)cc(C(=O)NCC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604604923 1073820738 /nfs/dbraw/zinc/82/07/38/1073820738.db2.gz HMTOESADCMGPPZ-KRWDZBQOSA-N 1 1 404.511 0.672 20 0 HCADMO COc1cc(OC)cc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604604924 1073820722 /nfs/dbraw/zinc/82/07/22/1073820722.db2.gz HMTOESADCMGPPZ-QGZVFWFLSA-N 1 1 404.511 0.672 20 0 HCADMO COc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000604605031 1073820588 /nfs/dbraw/zinc/82/05/88/1073820588.db2.gz LWJNKYGXSVZKSK-QGZVFWFLSA-N 1 1 404.511 0.672 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604605093 1073820639 /nfs/dbraw/zinc/82/06/39/1073820639.db2.gz PSUWBYBEDQDEMB-GOSISDBHSA-N 1 1 422.551 0.406 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604605094 1073820656 /nfs/dbraw/zinc/82/06/56/1073820656.db2.gz PSUWBYBEDQDEMB-SFHVURJKSA-N 1 1 422.551 0.406 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000604605956 1073821514 /nfs/dbraw/zinc/82/15/14/1073821514.db2.gz JDGZOCFNMNQNHH-CRAIPNDOSA-N 1 1 413.540 0.966 20 0 HCADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000604605957 1073821472 /nfs/dbraw/zinc/82/14/72/1073821472.db2.gz JDGZOCFNMNQNHH-MAUKXSAKSA-N 1 1 413.540 0.966 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000604605958 1073821556 /nfs/dbraw/zinc/82/15/56/1073821556.db2.gz JDGZOCFNMNQNHH-QAPCUYQASA-N 1 1 413.540 0.966 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000604605959 1073821481 /nfs/dbraw/zinc/82/14/81/1073821481.db2.gz JDGZOCFNMNQNHH-YJBOKZPZSA-N 1 1 413.540 0.966 20 0 HCADMO O=C(CNC(=O)N1CCc2ccccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606161 1073821145 /nfs/dbraw/zinc/82/11/45/1073821145.db2.gz DVJYFKHNBHWSGJ-FQEVSTJZSA-N 1 1 415.538 0.277 20 0 HCADMO O=C(CNC(=O)N1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606162 1073821077 /nfs/dbraw/zinc/82/10/77/1073821077.db2.gz DVJYFKHNBHWSGJ-HXUWFJFHSA-N 1 1 415.538 0.277 20 0 HCADMO O=C(CNC(=O)c1c(F)cccc1Cl)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606191 1073821454 /nfs/dbraw/zinc/82/14/54/1073821454.db2.gz GKFRVUZJEHQNNT-AWEZNQCLSA-N 1 1 412.893 0.732 20 0 HCADMO O=C(CNC(=O)c1c(F)cccc1Cl)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606192 1073821504 /nfs/dbraw/zinc/82/15/04/1073821504.db2.gz GKFRVUZJEHQNNT-CQSZACIVSA-N 1 1 412.893 0.732 20 0 HCADMO COc1ccc2c(c1)ncc(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)c2O ZINC000604606214 1073821526 /nfs/dbraw/zinc/82/15/26/1073821526.db2.gz HNWBGDROBWEGIH-HNNXBMFYSA-N 1 1 400.479 0.673 20 0 HCADMO COc1ccc2c(c1)ncc(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)c2O ZINC000604606215 1073821436 /nfs/dbraw/zinc/82/14/36/1073821436.db2.gz HNWBGDROBWEGIH-OAHLLOKOSA-N 1 1 400.479 0.673 20 0 HCADMO CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604606295 1073820664 /nfs/dbraw/zinc/82/06/64/1073820664.db2.gz NCKSXSHASHHKBI-GOSISDBHSA-N 1 1 404.511 0.338 20 0 HCADMO CCOc1ccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604606296 1073820713 /nfs/dbraw/zinc/82/07/13/1073820713.db2.gz NCKSXSHASHHKBI-SFHVURJKSA-N 1 1 404.511 0.338 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000604606312 1073820692 /nfs/dbraw/zinc/82/06/92/1073820692.db2.gz OKAXVNQCCFRLOH-HKUYNNGSSA-N 1 1 416.522 0.520 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000604606313 1073820612 /nfs/dbraw/zinc/82/06/12/1073820612.db2.gz OKAXVNQCCFRLOH-IEBWSBKVSA-N 1 1 416.522 0.520 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000604606314 1073820599 /nfs/dbraw/zinc/82/05/99/1073820599.db2.gz OKAXVNQCCFRLOH-MJGOQNOKSA-N 1 1 416.522 0.520 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000604606315 1073820700 /nfs/dbraw/zinc/82/07/00/1073820700.db2.gz OKAXVNQCCFRLOH-PKOBYXMFSA-N 1 1 416.522 0.520 20 0 HCADMO NC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604606346 1073821001 /nfs/dbraw/zinc/82/10/01/1073821001.db2.gz RSKAGIGXVQMGSL-INIZCTEOSA-N 1 1 412.494 0.108 20 0 HCADMO NC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)nn1-c1ccccc1 ZINC000604606347 1073821085 /nfs/dbraw/zinc/82/10/85/1073821085.db2.gz RSKAGIGXVQMGSL-MRXNPFEDSA-N 1 1 412.494 0.108 20 0 HCADMO Cc1ccc(C(=O)NCCC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(O)c1 ZINC000604606360 1073820938 /nfs/dbraw/zinc/82/09/38/1073820938.db2.gz SIYGLIDSLMONIU-KRWDZBQOSA-N 1 1 404.511 0.343 20 0 HCADMO Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(O)c1 ZINC000604606361 1073821131 /nfs/dbraw/zinc/82/11/31/1073821131.db2.gz SIYGLIDSLMONIU-QGZVFWFLSA-N 1 1 404.511 0.343 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606378 1073821095 /nfs/dbraw/zinc/82/10/95/1073821095.db2.gz UDIFYZSMSSHTGX-IFMALSPDSA-N 1 1 416.566 0.707 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606379 1073820962 /nfs/dbraw/zinc/82/09/62/1073820962.db2.gz UDIFYZSMSSHTGX-IRLDBZIGSA-N 1 1 416.566 0.707 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606380 1073821064 /nfs/dbraw/zinc/82/10/64/1073821064.db2.gz UDIFYZSMSSHTGX-RBBKRZOGSA-N 1 1 416.566 0.707 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000604606381 1073821161 /nfs/dbraw/zinc/82/11/61/1073821161.db2.gz UDIFYZSMSSHTGX-UNMCSNQZSA-N 1 1 416.566 0.707 20 0 HCADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606394 1073821022 /nfs/dbraw/zinc/82/10/22/1073821022.db2.gz VDPBIFLDVPMNKM-CVEARBPZSA-N 1 1 414.510 0.204 20 0 HCADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606395 1073821194 /nfs/dbraw/zinc/82/11/94/1073821194.db2.gz VDPBIFLDVPMNKM-HOTGVXAUSA-N 1 1 414.510 0.204 20 0 HCADMO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606396 1073821106 /nfs/dbraw/zinc/82/11/06/1073821106.db2.gz VDPBIFLDVPMNKM-HZPDHXFCSA-N 1 1 414.510 0.204 20 0 HCADMO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606397 1073820981 /nfs/dbraw/zinc/82/09/81/1073820981.db2.gz VDPBIFLDVPMNKM-JKSUJKDBSA-N 1 1 414.510 0.204 20 0 HCADMO CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604606502 1073820626 /nfs/dbraw/zinc/82/06/26/1073820626.db2.gz ZUWFDTXMZVHUMR-QGZVFWFLSA-N 1 1 404.511 0.338 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604631283 1073822498 /nfs/dbraw/zinc/82/24/98/1073822498.db2.gz UYZCXVULWJVZCA-KRWDZBQOSA-N 1 1 409.556 0.298 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000604631284 1073822487 /nfs/dbraw/zinc/82/24/87/1073822487.db2.gz UYZCXVULWJVZCA-QGZVFWFLSA-N 1 1 409.556 0.298 20 0 HCADMO O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604631420 1073822438 /nfs/dbraw/zinc/82/24/38/1073822438.db2.gz HRHQRWXQSVABRJ-GOSISDBHSA-N 1 1 404.511 0.706 20 0 HCADMO O=C(NCCc1ccc2c(c1)OCCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604631421 1073822537 /nfs/dbraw/zinc/82/25/37/1073822537.db2.gz HRHQRWXQSVABRJ-SFHVURJKSA-N 1 1 404.511 0.706 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632088 1073822904 /nfs/dbraw/zinc/82/29/04/1073822904.db2.gz RTYZSCFMPOVCJA-FQEVSTJZSA-N 1 1 423.602 0.727 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632088 1073822902 /nfs/dbraw/zinc/82/29/02/1073822902.db2.gz RTYZSCFMPOVCJA-FQEVSTJZSA-N 1 1 423.602 0.727 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632089 1073822984 /nfs/dbraw/zinc/82/29/84/1073822984.db2.gz RTYZSCFMPOVCJA-HXUWFJFHSA-N 1 1 423.602 0.727 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604632089 1073822982 /nfs/dbraw/zinc/82/29/82/1073822982.db2.gz RTYZSCFMPOVCJA-HXUWFJFHSA-N 1 1 423.602 0.727 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632238 1073822453 /nfs/dbraw/zinc/82/24/53/1073822453.db2.gz AATMYJHGXBVBEL-LEWJYISDSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632239 1073822551 /nfs/dbraw/zinc/82/25/51/1073822551.db2.gz AATMYJHGXBVBEL-NHCUHLMSSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632240 1073822845 /nfs/dbraw/zinc/82/28/45/1073822845.db2.gz AATMYJHGXBVBEL-RTWAWAEBSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1)Cc1ccccc1 ZINC000604632241 1073822929 /nfs/dbraw/zinc/82/29/29/1073822929.db2.gz AATMYJHGXBVBEL-SFTDATJTSA-N 1 1 403.571 0.865 20 0 HCADMO Cc1cccc(C)c1NC(=O)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632738 1073822866 /nfs/dbraw/zinc/82/28/66/1073822866.db2.gz ZWUCBUXKZJOXNQ-GOSISDBHSA-N 1 1 403.527 0.948 20 0 HCADMO Cc1cccc(C)c1NC(=O)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604632739 1073822947 /nfs/dbraw/zinc/82/29/47/1073822947.db2.gz ZWUCBUXKZJOXNQ-SFHVURJKSA-N 1 1 403.527 0.948 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604633298 1073822882 /nfs/dbraw/zinc/82/28/82/1073822882.db2.gz CAXJHEVCIGRKCV-CYBMUJFWSA-N 1 1 401.558 0.317 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)C1 ZINC000604633299 1073823007 /nfs/dbraw/zinc/82/30/07/1073823007.db2.gz CAXJHEVCIGRKCV-ZDUSSCGKSA-N 1 1 401.558 0.317 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000604633339 1073822891 /nfs/dbraw/zinc/82/28/91/1073822891.db2.gz FKCQYTIZYISVBM-KRWDZBQOSA-N 1 1 420.558 0.663 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2)C1 ZINC000604633340 1073822822 /nfs/dbraw/zinc/82/28/22/1073822822.db2.gz FKCQYTIZYISVBM-QGZVFWFLSA-N 1 1 420.558 0.663 20 0 HCADMO COc1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(OC)c1OC ZINC000604633773 1073823375 /nfs/dbraw/zinc/82/33/75/1073823375.db2.gz GMHPCLOOZSIYSB-KRWDZBQOSA-N 1 1 422.526 0.918 20 0 HCADMO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(OC)c1OC ZINC000604633774 1073823417 /nfs/dbraw/zinc/82/34/17/1073823417.db2.gz GMHPCLOOZSIYSB-QGZVFWFLSA-N 1 1 422.526 0.918 20 0 HCADMO COc1cc(OC)c(OC)cc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604634050 1073822875 /nfs/dbraw/zinc/82/28/75/1073822875.db2.gz ZPTUKGOBTVPNEL-KRWDZBQOSA-N 1 1 422.526 0.918 20 0 HCADMO COc1cc(OC)c(OC)cc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604634051 1073822996 /nfs/dbraw/zinc/82/29/96/1073822996.db2.gz ZPTUKGOBTVPNEL-QGZVFWFLSA-N 1 1 422.526 0.918 20 0 HCADMO C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634150 1073822910 /nfs/dbraw/zinc/82/29/10/1073822910.db2.gz FSNZYJJVKROQHC-DOTOQJQBSA-N 1 1 409.556 0.816 20 0 HCADMO C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634151 1073822971 /nfs/dbraw/zinc/82/29/71/1073822971.db2.gz FSNZYJJVKROQHC-NVXWUHKLSA-N 1 1 409.556 0.816 20 0 HCADMO C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634152 1073822921 /nfs/dbraw/zinc/82/29/21/1073822921.db2.gz FSNZYJJVKROQHC-RDJZCZTQSA-N 1 1 409.556 0.816 20 0 HCADMO C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000604634153 1073823527 /nfs/dbraw/zinc/82/35/27/1073823527.db2.gz FSNZYJJVKROQHC-WBVHZDCISA-N 1 1 409.556 0.816 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000604635685 1073823294 /nfs/dbraw/zinc/82/32/94/1073823294.db2.gz IZNNBHQMQLWZFX-AWEZNQCLSA-N 1 1 415.585 0.578 20 0 HCADMO CNS(=O)(=O)c1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000604635686 1073823272 /nfs/dbraw/zinc/82/32/72/1073823272.db2.gz IZNNBHQMQLWZFX-CQSZACIVSA-N 1 1 415.585 0.578 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604635788 1073824067 /nfs/dbraw/zinc/82/40/67/1073824067.db2.gz PAUZJFWAYALVQQ-IBGZPJMESA-N 1 1 423.583 0.657 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604635789 1073824017 /nfs/dbraw/zinc/82/40/17/1073824017.db2.gz PAUZJFWAYALVQQ-LJQANCHMSA-N 1 1 423.583 0.657 20 0 HCADMO NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604635842 1073824075 /nfs/dbraw/zinc/82/40/75/1073824075.db2.gz RPMZCMMMWYNGQE-IBGZPJMESA-N 1 1 403.527 0.480 20 0 HCADMO NC(=O)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604635843 1073824024 /nfs/dbraw/zinc/82/40/24/1073824024.db2.gz RPMZCMMMWYNGQE-LJQANCHMSA-N 1 1 403.527 0.480 20 0 HCADMO O=C(NCc1ccc(Cn2cncn2)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604635981 1073823518 /nfs/dbraw/zinc/82/35/18/1073823518.db2.gz ZRCVHRUYYGGXCS-FQEVSTJZSA-N 1 1 413.526 0.532 20 0 HCADMO O=C(NCc1ccc(Cn2cncn2)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604635982 1073823435 /nfs/dbraw/zinc/82/34/35/1073823435.db2.gz ZRCVHRUYYGGXCS-HXUWFJFHSA-N 1 1 413.526 0.532 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604636010 1073824093 /nfs/dbraw/zinc/82/40/93/1073824093.db2.gz BMBICVDKGAXPGX-GOSISDBHSA-N 1 1 423.583 0.858 20 0 HCADMO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604636011 1073823994 /nfs/dbraw/zinc/82/39/94/1073823994.db2.gz BMBICVDKGAXPGX-SFHVURJKSA-N 1 1 423.583 0.858 20 0 HCADMO CN1CCN(c2ccc(CNC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000604636270 1073823347 /nfs/dbraw/zinc/82/33/47/1073823347.db2.gz PSARCVDIWREVIE-FQEVSTJZSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ccc(CNC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000604636270 1073823345 /nfs/dbraw/zinc/82/33/45/1073823345.db2.gz PSARCVDIWREVIE-FQEVSTJZSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ccc(CNC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cn2)CC1 ZINC000604636271 1073823461 /nfs/dbraw/zinc/82/34/61/1073823461.db2.gz PSARCVDIWREVIE-HXUWFJFHSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ccc(CNC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cn2)CC1 ZINC000604636271 1073823458 /nfs/dbraw/zinc/82/34/58/1073823458.db2.gz PSARCVDIWREVIE-HXUWFJFHSA-N 1 1 415.586 0.755 20 0 HCADMO O=C(NCCc1nnc2n1CCCCC2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604636371 1073823502 /nfs/dbraw/zinc/82/35/02/1073823502.db2.gz XQQSNFWSGRRGDU-KRWDZBQOSA-N 1 1 405.547 0.253 20 0 HCADMO O=C(NCCc1nnc2n1CCCCC2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604636372 1073823387 /nfs/dbraw/zinc/82/33/87/1073823387.db2.gz XQQSNFWSGRRGDU-QGZVFWFLSA-N 1 1 405.547 0.253 20 0 HCADMO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636393 1073823318 /nfs/dbraw/zinc/82/33/18/1073823318.db2.gz ZGRFYBDLSVPRNK-CEXWTWQISA-N 1 1 411.591 0.580 20 0 HCADMO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636394 1073823301 /nfs/dbraw/zinc/82/33/01/1073823301.db2.gz ZGRFYBDLSVPRNK-GUDVDZBRSA-N 1 1 411.591 0.580 20 0 HCADMO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H](C)O1 ZINC000604636395 1073823485 /nfs/dbraw/zinc/82/34/85/1073823485.db2.gz ZGRFYBDLSVPRNK-OTWHNJEPSA-N 1 1 411.591 0.580 20 0 HCADMO C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H](C)O1 ZINC000604636396 1073823399 /nfs/dbraw/zinc/82/33/99/1073823399.db2.gz ZGRFYBDLSVPRNK-QRVBRYPASA-N 1 1 411.591 0.580 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)CC2)C1 ZINC000604636410 1073823367 /nfs/dbraw/zinc/82/33/67/1073823367.db2.gz ABJZJQGYAVCXFE-KRWDZBQOSA-N 1 1 415.604 0.660 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)CC2)C1 ZINC000604636411 1073823281 /nfs/dbraw/zinc/82/32/81/1073823281.db2.gz ABJZJQGYAVCXFE-QGZVFWFLSA-N 1 1 415.604 0.660 20 0 HCADMO CN(C)C(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604636567 1073823445 /nfs/dbraw/zinc/82/34/45/1073823445.db2.gz IVBLJLKPSJFDNW-IBGZPJMESA-N 1 1 403.527 0.594 20 0 HCADMO CN(C)C(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604636568 1073823355 /nfs/dbraw/zinc/82/33/55/1073823355.db2.gz 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O=C(NCCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604638470 1073825085 /nfs/dbraw/zinc/82/50/85/1073825085.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 1 1 401.555 0.750 20 0 HCADMO O=C(NCCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604638470 1073825082 /nfs/dbraw/zinc/82/50/82/1073825082.db2.gz LPOZZAKHTCKNQQ-NRFANRHFSA-N 1 1 401.555 0.750 20 0 HCADMO O=C(NCCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604638471 1073824903 /nfs/dbraw/zinc/82/49/03/1073824903.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 1 1 401.555 0.750 20 0 HCADMO O=C(NCCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604638471 1073824901 /nfs/dbraw/zinc/82/49/01/1073824901.db2.gz LPOZZAKHTCKNQQ-OAQYLSRUSA-N 1 1 401.555 0.750 20 0 HCADMO COc1ccc(CN2CC[C@@H](NC(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000604638563 1073824398 /nfs/dbraw/zinc/82/43/98/1073824398.db2.gz TWDRXJUZQCZCNO-GOSISDBHSA-N 1 1 417.510 0.259 20 0 HCADMO COc1ccc(CN2CC[C@H](NC(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000604638564 1073824391 /nfs/dbraw/zinc/82/43/91/1073824391.db2.gz TWDRXJUZQCZCNO-SFHVURJKSA-N 1 1 417.510 0.259 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604638920 1073825460 /nfs/dbraw/zinc/82/54/60/1073825460.db2.gz OIPBJCMFMJILQB-IBGZPJMESA-N 1 1 403.527 0.594 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604638921 1073825591 /nfs/dbraw/zinc/82/55/91/1073825591.db2.gz OIPBJCMFMJILQB-LJQANCHMSA-N 1 1 403.527 0.594 20 0 HCADMO COCCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000604639102 1073825493 /nfs/dbraw/zinc/82/54/93/1073825493.db2.gz ALEHFXACDDMEFH-GOSISDBHSA-N 1 1 407.515 0.313 20 0 HCADMO COCCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000604639103 1073825572 /nfs/dbraw/zinc/82/55/72/1073825572.db2.gz ALEHFXACDDMEFH-SFHVURJKSA-N 1 1 407.515 0.313 20 0 HCADMO COCCOc1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604639288 1073825449 /nfs/dbraw/zinc/82/54/49/1073825449.db2.gz JTEKCAVWNZWHJK-GOSISDBHSA-N 1 1 407.515 0.313 20 0 HCADMO COCCOc1ncccc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604639289 1073825512 /nfs/dbraw/zinc/82/55/12/1073825512.db2.gz JTEKCAVWNZWHJK-SFHVURJKSA-N 1 1 407.515 0.313 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604639553 1073825549 /nfs/dbraw/zinc/82/55/49/1073825549.db2.gz ZHMBFAHRNZQXEE-KRWDZBQOSA-N 1 1 409.556 0.516 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604639554 1073825522 /nfs/dbraw/zinc/82/55/22/1073825522.db2.gz ZHMBFAHRNZQXEE-QGZVFWFLSA-N 1 1 409.556 0.516 20 0 HCADMO COCCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604639576 1073824929 /nfs/dbraw/zinc/82/49/29/1073824929.db2.gz BAZQYLVVFYAJMH-IBGZPJMESA-N 1 1 406.527 0.918 20 0 HCADMO COCCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604639577 1073825068 /nfs/dbraw/zinc/82/50/68/1073825068.db2.gz BAZQYLVVFYAJMH-LJQANCHMSA-N 1 1 406.527 0.918 20 0 HCADMO COCCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604639640 1073825582 /nfs/dbraw/zinc/82/55/82/1073825582.db2.gz FPAWYNVVXBXIMT-IBGZPJMESA-N 1 1 406.527 0.918 20 0 HCADMO COCCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604639641 1073825469 /nfs/dbraw/zinc/82/54/69/1073825469.db2.gz FPAWYNVVXBXIMT-LJQANCHMSA-N 1 1 406.527 0.918 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604639778 1073822071 /nfs/dbraw/zinc/82/20/71/1073822071.db2.gz OLBHOPSOUCQXFN-IBGZPJMESA-N 1 1 408.591 0.398 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604639779 1073822130 /nfs/dbraw/zinc/82/21/30/1073822130.db2.gz OLBHOPSOUCQXFN-LJQANCHMSA-N 1 1 408.591 0.398 20 0 HCADMO NC(=O)c1ccc(CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C2CC2)cc1 ZINC000604640038 1073826000 /nfs/dbraw/zinc/82/60/00/1073826000.db2.gz JIBPMOLFLALZBN-IBGZPJMESA-N 1 1 415.538 0.866 20 0 HCADMO NC(=O)c1ccc(CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C2CC2)cc1 ZINC000604640039 1073826110 /nfs/dbraw/zinc/82/61/10/1073826110.db2.gz JIBPMOLFLALZBN-LJQANCHMSA-N 1 1 415.538 0.866 20 0 HCADMO CS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604640109 1073825969 /nfs/dbraw/zinc/82/59/69/1073825969.db2.gz NIQUVWIRSYTIKO-KRWDZBQOSA-N 1 1 410.540 0.296 20 0 HCADMO CS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604640110 1073825949 /nfs/dbraw/zinc/82/59/49/1073825949.db2.gz NIQUVWIRSYTIKO-QGZVFWFLSA-N 1 1 410.540 0.296 20 0 HCADMO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604640266 1073825563 /nfs/dbraw/zinc/82/55/63/1073825563.db2.gz VVYLOMZUVWGKKF-CVEARBPZSA-N 1 1 407.481 0.576 20 0 HCADMO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604640267 1073825500 /nfs/dbraw/zinc/82/55/00/1073825500.db2.gz VVYLOMZUVWGKKF-HOTGVXAUSA-N 1 1 407.481 0.576 20 0 HCADMO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604640268 1073825555 /nfs/dbraw/zinc/82/55/55/1073825555.db2.gz VVYLOMZUVWGKKF-HZPDHXFCSA-N 1 1 407.481 0.576 20 0 HCADMO O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604640269 1073825430 /nfs/dbraw/zinc/82/54/30/1073825430.db2.gz VVYLOMZUVWGKKF-JKSUJKDBSA-N 1 1 407.481 0.576 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2ccccn2)CC1 ZINC000604640297 1073825479 /nfs/dbraw/zinc/82/54/79/1073825479.db2.gz XZMOXTGRAUKHNS-IBGZPJMESA-N 1 1 402.543 0.756 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(c2ccccn2)CC1 ZINC000604640298 1073825530 /nfs/dbraw/zinc/82/55/30/1073825530.db2.gz XZMOXTGRAUKHNS-LJQANCHMSA-N 1 1 402.543 0.756 20 0 HCADMO COc1cc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1OCC(N)=O ZINC000604641111 1073837928 /nfs/dbraw/zinc/83/79/28/1073837928.db2.gz CSIBBBLFXZOJPR-KRWDZBQOSA-N 1 1 419.526 0.481 20 0 HCADMO COc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1OCC(N)=O ZINC000604641112 1073837904 /nfs/dbraw/zinc/83/79/04/1073837904.db2.gz CSIBBBLFXZOJPR-QGZVFWFLSA-N 1 1 419.526 0.481 20 0 HCADMO CCNC(=O)c1cccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604641338 1073837842 /nfs/dbraw/zinc/83/78/42/1073837842.db2.gz QDZJLTPDZZMBJR-IBGZPJMESA-N 1 1 403.527 0.642 20 0 HCADMO CCNC(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604641339 1073837968 /nfs/dbraw/zinc/83/79/68/1073837968.db2.gz QDZJLTPDZZMBJR-LJQANCHMSA-N 1 1 403.527 0.642 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000604641368 1073837937 /nfs/dbraw/zinc/83/79/37/1073837937.db2.gz RTIOWBGDEWRXJV-MSOLQXFVSA-N 1 1 403.531 0.151 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000604641369 1073837893 /nfs/dbraw/zinc/83/78/93/1073837893.db2.gz RTIOWBGDEWRXJV-QZTJIDSGSA-N 1 1 403.531 0.151 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000604641370 1073837870 /nfs/dbraw/zinc/83/78/70/1073837870.db2.gz RTIOWBGDEWRXJV-ROUUACIJSA-N 1 1 403.531 0.151 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000604641371 1073837956 /nfs/dbraw/zinc/83/79/56/1073837956.db2.gz RTIOWBGDEWRXJV-ZWKOTPCHSA-N 1 1 403.531 0.151 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000604641476 1073837852 /nfs/dbraw/zinc/83/78/52/1073837852.db2.gz YLSVNYAXQDUPCP-IBGZPJMESA-N 1 1 423.583 0.527 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000604641477 1073837983 /nfs/dbraw/zinc/83/79/83/1073837983.db2.gz YLSVNYAXQDUPCP-LJQANCHMSA-N 1 1 423.583 0.527 20 0 HCADMO COc1cccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1OC ZINC000604641553 1073837788 /nfs/dbraw/zinc/83/77/88/1073837788.db2.gz BIVBPKPERUDQAZ-GOSISDBHSA-N 1 1 406.527 0.952 20 0 HCADMO COc1cccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1OC ZINC000604641554 1073837819 /nfs/dbraw/zinc/83/78/19/1073837819.db2.gz BIVBPKPERUDQAZ-SFHVURJKSA-N 1 1 406.527 0.952 20 0 HCADMO O=C(NCCOc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604641664 1073838335 /nfs/dbraw/zinc/83/83/35/1073838335.db2.gz HYZBTUBOVZZGLB-INIZCTEOSA-N 1 1 406.483 0.500 20 0 HCADMO O=C(NCCOc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604641665 1073838416 /nfs/dbraw/zinc/83/84/16/1073838416.db2.gz HYZBTUBOVZZGLB-MRXNPFEDSA-N 1 1 406.483 0.500 20 0 HCADMO O=C(NCc1cccc(C(=O)NC2CC2)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604641724 1073838472 /nfs/dbraw/zinc/83/84/72/1073838472.db2.gz KRCXCESEKMVUNE-FQEVSTJZSA-N 1 1 415.538 0.785 20 0 HCADMO O=C(NCc1cccc(C(=O)NC2CC2)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604641725 1073838390 /nfs/dbraw/zinc/83/83/90/1073838390.db2.gz KRCXCESEKMVUNE-HXUWFJFHSA-N 1 1 415.538 0.785 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)C1 ZINC000604641731 1073838358 /nfs/dbraw/zinc/83/83/58/1073838358.db2.gz LRZAPZFYROQPRL-KRWDZBQOSA-N 1 1 405.547 0.193 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)C1 ZINC000604641732 1073838286 /nfs/dbraw/zinc/83/82/86/1073838286.db2.gz LRZAPZFYROQPRL-QGZVFWFLSA-N 1 1 405.547 0.193 20 0 HCADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641841 1073838913 /nfs/dbraw/zinc/83/89/13/1073838913.db2.gz UNTXPIHJCHNOFU-CRAIPNDOSA-N 1 1 401.511 0.948 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641842 1073838852 /nfs/dbraw/zinc/83/88/52/1073838852.db2.gz UNTXPIHJCHNOFU-MAUKXSAKSA-N 1 1 401.511 0.948 20 0 HCADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641843 1073838939 /nfs/dbraw/zinc/83/89/39/1073838939.db2.gz UNTXPIHJCHNOFU-QAPCUYQASA-N 1 1 401.511 0.948 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc2c(c1)CC(=O)N2 ZINC000604641844 1073838964 /nfs/dbraw/zinc/83/89/64/1073838964.db2.gz UNTXPIHJCHNOFU-YJBOKZPZSA-N 1 1 401.511 0.948 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604641943 1073838404 /nfs/dbraw/zinc/83/84/04/1073838404.db2.gz YQFKZTQHGFDVPD-GOSISDBHSA-N 1 1 423.583 0.858 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604641944 1073838350 /nfs/dbraw/zinc/83/83/50/1073838350.db2.gz YQFKZTQHGFDVPD-SFHVURJKSA-N 1 1 423.583 0.858 20 0 HCADMO COc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1OCCO ZINC000604641978 1073838307 /nfs/dbraw/zinc/83/83/07/1073838307.db2.gz AHLDFUXNIQIEKV-GOSISDBHSA-N 1 1 406.527 0.988 20 0 HCADMO COc1cc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1OCCO ZINC000604641979 1073838897 /nfs/dbraw/zinc/83/88/97/1073838897.db2.gz AHLDFUXNIQIEKV-SFHVURJKSA-N 1 1 406.527 0.988 20 0 HCADMO COc1ccc(C(=O)NCCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604642043 1073838990 /nfs/dbraw/zinc/83/89/90/1073838990.db2.gz FAWBLLCLTHWCHO-GOSISDBHSA-N 1 1 403.527 0.846 20 0 HCADMO COc1ccc(C(=O)NCCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604642044 1073839011 /nfs/dbraw/zinc/83/90/11/1073839011.db2.gz FAWBLLCLTHWCHO-SFHVURJKSA-N 1 1 403.527 0.846 20 0 HCADMO COc1ccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604642094 1073838458 /nfs/dbraw/zinc/83/84/58/1073838458.db2.gz GWUCBQPNAIOJNZ-GOSISDBHSA-N 1 1 419.526 0.131 20 0 HCADMO COc1ccc(C(=O)NCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604642095 1073838250 /nfs/dbraw/zinc/83/82/50/1073838250.db2.gz GWUCBQPNAIOJNZ-SFHVURJKSA-N 1 1 419.526 0.131 20 0 HCADMO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(OC)c1OC ZINC000604642247 1073838275 /nfs/dbraw/zinc/83/82/75/1073838275.db2.gz QBFFGRVBQMNCTK-QGZVFWFLSA-N 1 1 422.526 0.918 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000604642327 1073838373 /nfs/dbraw/zinc/83/83/73/1073838373.db2.gz VMPJEQIKAFRDPK-NRFANRHFSA-N 1 1 416.570 0.752 20 0 HCADMO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000604642327 1073838372 /nfs/dbraw/zinc/83/83/72/1073838372.db2.gz VMPJEQIKAFRDPK-NRFANRHFSA-N 1 1 416.570 0.752 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000604642328 1073838438 /nfs/dbraw/zinc/83/84/38/1073838438.db2.gz VMPJEQIKAFRDPK-OAQYLSRUSA-N 1 1 416.570 0.752 20 0 HCADMO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(Cc2ccncc2)CC1 ZINC000604642328 1073838432 /nfs/dbraw/zinc/83/84/32/1073838432.db2.gz VMPJEQIKAFRDPK-OAQYLSRUSA-N 1 1 416.570 0.752 20 0 HCADMO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1OCCO ZINC000604642329 1073838297 /nfs/dbraw/zinc/83/82/97/1073838297.db2.gz VTFMIIWUJGAHQK-GOSISDBHSA-N 1 1 422.526 0.272 20 0 HCADMO COc1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1OCCO ZINC000604642330 1073838320 /nfs/dbraw/zinc/83/83/20/1073838320.db2.gz VTFMIIWUJGAHQK-SFHVURJKSA-N 1 1 422.526 0.272 20 0 HCADMO CNC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604642440 1073838445 /nfs/dbraw/zinc/83/84/45/1073838445.db2.gz CEOMBBHMTTXAFX-GOSISDBHSA-N 1 1 419.526 0.017 20 0 HCADMO CNC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604642441 1073838263 /nfs/dbraw/zinc/83/82/63/1073838263.db2.gz CEOMBBHMTTXAFX-SFHVURJKSA-N 1 1 419.526 0.017 20 0 HCADMO CNC(=O)COc1cccc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604642464 1073838383 /nfs/dbraw/zinc/83/83/83/1073838383.db2.gz FGRMZPDAVZUUTO-GOSISDBHSA-N 1 1 403.527 0.733 20 0 HCADMO CNC(=O)COc1cccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604642465 1073838487 /nfs/dbraw/zinc/83/84/87/1073838487.db2.gz FGRMZPDAVZUUTO-SFHVURJKSA-N 1 1 403.527 0.733 20 0 HCADMO CN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604642723 1073839558 /nfs/dbraw/zinc/83/95/58/1073839558.db2.gz WMZIORAMHHJUII-IBGZPJMESA-N 1 1 403.527 0.351 20 0 HCADMO CN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604642724 1073839501 /nfs/dbraw/zinc/83/95/01/1073839501.db2.gz WMZIORAMHHJUII-LJQANCHMSA-N 1 1 403.527 0.351 20 0 HCADMO CS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604642841 1073838887 /nfs/dbraw/zinc/83/88/87/1073838887.db2.gz CDZYDNJJNQXGIS-IBGZPJMESA-N 1 1 424.567 0.437 20 0 HCADMO CS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604642842 1073839532 /nfs/dbraw/zinc/83/95/32/1073839532.db2.gz CDZYDNJJNQXGIS-LJQANCHMSA-N 1 1 424.567 0.437 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604643067 1073838831 /nfs/dbraw/zinc/83/88/31/1073838831.db2.gz RVYWHSVNIIHPDB-LEWJYISDSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604643068 1073838978 /nfs/dbraw/zinc/83/89/78/1073838978.db2.gz RVYWHSVNIIHPDB-NHCUHLMSSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604643069 1073838910 /nfs/dbraw/zinc/83/89/10/1073838910.db2.gz RVYWHSVNIIHPDB-RTWAWAEBSA-N 1 1 403.571 0.865 20 0 HCADMO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604643070 1073838932 /nfs/dbraw/zinc/83/89/32/1073838932.db2.gz RVYWHSVNIIHPDB-SFTDATJTSA-N 1 1 403.571 0.865 20 0 HCADMO Cc1cccc(C(=O)NCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604643236 1073838868 /nfs/dbraw/zinc/83/88/68/1073838868.db2.gz AYMHCEWHERGAKO-IBGZPJMESA-N 1 1 403.527 0.431 20 0 HCADMO Cc1cccc(C(=O)NCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604643237 1073839017 /nfs/dbraw/zinc/83/90/17/1073839017.db2.gz AYMHCEWHERGAKO-LJQANCHMSA-N 1 1 403.527 0.431 20 0 HCADMO O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643326 1073838841 /nfs/dbraw/zinc/83/88/41/1073838841.db2.gz GGYCCXQBHAHHPP-INIZCTEOSA-N 1 1 407.490 0.261 20 0 HCADMO O=C(NCCNC(=O)c1ccccc1F)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643327 1073838950 /nfs/dbraw/zinc/83/89/50/1073838950.db2.gz GGYCCXQBHAHHPP-MRXNPFEDSA-N 1 1 407.490 0.261 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604643595 1073838818 /nfs/dbraw/zinc/83/88/18/1073838818.db2.gz RERREFJJAPNMGT-INIZCTEOSA-N 1 1 408.524 0.652 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604643596 1073838881 /nfs/dbraw/zinc/83/88/81/1073838881.db2.gz RERREFJJAPNMGT-MRXNPFEDSA-N 1 1 408.524 0.652 20 0 HCADMO COCCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643647 1073839518 /nfs/dbraw/zinc/83/95/18/1073839518.db2.gz UDVAYUZLPCGBLX-IBGZPJMESA-N 1 1 406.527 0.918 20 0 HCADMO COCCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604643648 1073839369 /nfs/dbraw/zinc/83/93/69/1073839369.db2.gz UDVAYUZLPCGBLX-LJQANCHMSA-N 1 1 406.527 0.918 20 0 HCADMO O=C(CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000604643918 1073839407 /nfs/dbraw/zinc/83/94/07/1073839407.db2.gz IMDYCHKQECZULA-KRWDZBQOSA-N 1 1 409.918 0.984 20 0 HCADMO O=C(CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000604643919 1073839547 /nfs/dbraw/zinc/83/95/47/1073839547.db2.gz IMDYCHKQECZULA-QGZVFWFLSA-N 1 1 409.918 0.984 20 0 HCADMO O=C(NCCN1CCc2sccc2C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644002 1073839346 /nfs/dbraw/zinc/83/93/46/1073839346.db2.gz NCEZVNFVYZTZGK-GOSISDBHSA-N 1 1 407.584 0.812 20 0 HCADMO O=C(NCCN1CCc2sccc2C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644003 1073839444 /nfs/dbraw/zinc/83/94/44/1073839444.db2.gz NCEZVNFVYZTZGK-SFHVURJKSA-N 1 1 407.584 0.812 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)C1 ZINC000604644074 1073839462 /nfs/dbraw/zinc/83/94/62/1073839462.db2.gz RBGDDPCXEWTICX-AZUAARDMSA-N 1 1 411.616 0.616 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)C1 ZINC000604644075 1073839332 /nfs/dbraw/zinc/83/93/32/1073839332.db2.gz RBGDDPCXEWTICX-ICSRJNTNSA-N 1 1 411.616 0.616 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)C1 ZINC000604644076 1073839394 /nfs/dbraw/zinc/83/93/94/1073839394.db2.gz RBGDDPCXEWTICX-QUCCMNQESA-N 1 1 411.616 0.616 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)C1 ZINC000604644077 1073839581 /nfs/dbraw/zinc/83/95/81/1073839581.db2.gz RBGDDPCXEWTICX-UYAOXDASSA-N 1 1 411.616 0.616 20 0 HCADMO O=C(NCCNC(=O)c1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644274 1073839482 /nfs/dbraw/zinc/83/94/82/1073839482.db2.gz DJDZLEWOHCEPSL-GOSISDBHSA-N 1 1 407.490 0.261 20 0 HCADMO O=C(NCCNC(=O)c1ccc(F)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604644275 1073839426 /nfs/dbraw/zinc/83/94/26/1073839426.db2.gz DJDZLEWOHCEPSL-SFHVURJKSA-N 1 1 407.490 0.261 20 0 HCADMO COc1ccc(OC)c(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604644327 1073839382 /nfs/dbraw/zinc/83/93/82/1073839382.db2.gz HVRCXIQKGGQNHG-GOSISDBHSA-N 1 1 406.527 0.952 20 0 HCADMO COc1ccc(OC)c(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604644328 1073839568 /nfs/dbraw/zinc/83/95/68/1073839568.db2.gz HVRCXIQKGGQNHG-SFHVURJKSA-N 1 1 406.527 0.952 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)NCc1ccccc1 ZINC000604644665 1073839492 /nfs/dbraw/zinc/83/94/92/1073839492.db2.gz YUPVBPWHBPIDHV-HKUYNNGSSA-N 1 1 403.527 0.397 20 0 HCADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)NCc1ccccc1 ZINC000604644666 1073839994 /nfs/dbraw/zinc/83/99/94/1073839994.db2.gz YUPVBPWHBPIDHV-IEBWSBKVSA-N 1 1 403.527 0.397 20 0 HCADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)NCc1ccccc1 ZINC000604644667 1073840136 /nfs/dbraw/zinc/84/01/36/1073840136.db2.gz YUPVBPWHBPIDHV-MJGOQNOKSA-N 1 1 403.527 0.397 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)NCc1ccccc1 ZINC000604644668 1073839959 /nfs/dbraw/zinc/83/99/59/1073839959.db2.gz YUPVBPWHBPIDHV-PKOBYXMFSA-N 1 1 403.527 0.397 20 0 HCADMO O=C(CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCc2ccccc21 ZINC000604644941 1073839931 /nfs/dbraw/zinc/83/99/31/1073839931.db2.gz PRGUSVSNZICVDL-IBGZPJMESA-N 1 1 415.538 0.672 20 0 HCADMO O=C(CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCc2ccccc21 ZINC000604644942 1073840006 /nfs/dbraw/zinc/84/00/06/1073840006.db2.gz PRGUSVSNZICVDL-LJQANCHMSA-N 1 1 415.538 0.672 20 0 HCADMO CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604645397 1073839949 /nfs/dbraw/zinc/83/99/49/1073839949.db2.gz NANWCQHSAWYBNE-FQEVSTJZSA-N 1 1 417.554 0.741 20 0 HCADMO CCN(Cc1ccccc1)C(=O)CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604645398 1073840066 /nfs/dbraw/zinc/84/00/66/1073840066.db2.gz NANWCQHSAWYBNE-HXUWFJFHSA-N 1 1 417.554 0.741 20 0 HCADMO CN(C)C(=O)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000604645492 1073840027 /nfs/dbraw/zinc/84/00/27/1073840027.db2.gz QCLFNTDUONNTGB-UXHICEINSA-N 1 1 417.554 0.912 20 0 HCADMO CN(C)C(=O)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000604645493 1073840092 /nfs/dbraw/zinc/84/00/92/1073840092.db2.gz QCLFNTDUONNTGB-VQTJNVASSA-N 1 1 417.554 0.912 20 0 HCADMO CN(C)C(=O)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000604645494 1073840101 /nfs/dbraw/zinc/84/01/01/1073840101.db2.gz QCLFNTDUONNTGB-WOJBJXKFSA-N 1 1 417.554 0.912 20 0 HCADMO COc1ccc(CNC(=O)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604645989 1073840438 /nfs/dbraw/zinc/84/04/38/1073840438.db2.gz RRPCWMGXOGXSSP-GOSISDBHSA-N 1 1 419.526 0.017 20 0 HCADMO COc1ccc(CNC(=O)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604645990 1073840410 /nfs/dbraw/zinc/84/04/10/1073840410.db2.gz RRPCWMGXOGXSSP-SFHVURJKSA-N 1 1 419.526 0.017 20 0 HCADMO CCOc1ccc(NC(=O)CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604646016 1073840615 /nfs/dbraw/zinc/84/06/15/1073840615.db2.gz UDTQCOPIVIPWHU-GOSISDBHSA-N 1 1 419.526 0.730 20 0 HCADMO CCOc1ccc(NC(=O)CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604646017 1073840492 /nfs/dbraw/zinc/84/04/92/1073840492.db2.gz UDTQCOPIVIPWHU-SFHVURJKSA-N 1 1 419.526 0.730 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000604646220 1073840080 /nfs/dbraw/zinc/84/00/80/1073840080.db2.gz GXAYLHDOFFBQGT-MSOLQXFVSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000604646221 1073840503 /nfs/dbraw/zinc/84/05/03/1073840503.db2.gz GXAYLHDOFFBQGT-QZTJIDSGSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000604646222 1073840422 /nfs/dbraw/zinc/84/04/22/1073840422.db2.gz GXAYLHDOFFBQGT-ROUUACIJSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604646223 1073840562 /nfs/dbraw/zinc/84/05/62/1073840562.db2.gz GXAYLHDOFFBQGT-ZWKOTPCHSA-N 1 1 401.511 0.498 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604646420 1073839986 /nfs/dbraw/zinc/83/99/86/1073839986.db2.gz QMHSMOPCIOGSLT-FQEVSTJZSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604646420 1073839984 /nfs/dbraw/zinc/83/99/84/1073839984.db2.gz QMHSMOPCIOGSLT-FQEVSTJZSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000604646421 1073840126 /nfs/dbraw/zinc/84/01/26/1073840126.db2.gz QMHSMOPCIOGSLT-HXUWFJFHSA-N 1 1 415.586 0.755 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000604646421 1073840122 /nfs/dbraw/zinc/84/01/22/1073840122.db2.gz QMHSMOPCIOGSLT-HXUWFJFHSA-N 1 1 415.586 0.755 20 0 HCADMO COc1cc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(OC)c1O ZINC000604646578 1073839909 /nfs/dbraw/zinc/83/99/09/1073839909.db2.gz ZTQYKZJWSZTFEV-INIZCTEOSA-N 1 1 408.499 0.615 20 0 HCADMO COc1cc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc(OC)c1O ZINC000604646579 1073840053 /nfs/dbraw/zinc/84/00/53/1073840053.db2.gz ZTQYKZJWSZTFEV-MRXNPFEDSA-N 1 1 408.499 0.615 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(CC(F)(F)F)CC1 ZINC000604646638 1073840038 /nfs/dbraw/zinc/84/00/38/1073840038.db2.gz CTUMVVRHDDUYMT-INIZCTEOSA-N 1 1 407.481 0.719 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CCN(CC(F)(F)F)CC1 ZINC000604646639 1073839971 /nfs/dbraw/zinc/83/99/71/1073839971.db2.gz CTUMVVRHDDUYMT-MRXNPFEDSA-N 1 1 407.481 0.719 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(Cc2ccccc2)C1=O 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COc1cccc2c1OC[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000604651136 1073827409 /nfs/dbraw/zinc/82/74/09/1073827409.db2.gz ISAVSGLOEVFVML-ROUUACIJSA-N 1 1 404.511 0.704 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000604651137 1073827315 /nfs/dbraw/zinc/82/73/15/1073827315.db2.gz ISAVSGLOEVFVML-ZWKOTPCHSA-N 1 1 404.511 0.704 20 0 HCADMO COc1cccc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC000604651365 1073827342 /nfs/dbraw/zinc/82/73/42/1073827342.db2.gz UQOIIAQXDJDQSE-MOPGFXCFSA-N 1 1 417.554 0.980 20 0 HCADMO COc1cccc(N2CC[C@H](NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC000604651366 1073827268 /nfs/dbraw/zinc/82/72/68/1073827268.db2.gz UQOIIAQXDJDQSE-OALUTQOASA-N 1 1 417.554 0.980 20 0 HCADMO COc1cccc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC000604651367 1073827364 /nfs/dbraw/zinc/82/73/64/1073827364.db2.gz UQOIIAQXDJDQSE-RBUKOAKNSA-N 1 1 417.554 0.980 20 0 HCADMO COc1cccc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC000604651368 1073827280 /nfs/dbraw/zinc/82/72/80/1073827280.db2.gz UQOIIAQXDJDQSE-RTBURBONSA-N 1 1 417.554 0.980 20 0 HCADMO CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604651685 1073827866 /nfs/dbraw/zinc/82/78/66/1073827866.db2.gz KHWLBSUQHSUGCO-IBGZPJMESA-N 1 1 419.526 0.730 20 0 HCADMO CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000604651686 1073827806 /nfs/dbraw/zinc/82/78/06/1073827806.db2.gz KHWLBSUQHSUGCO-LJQANCHMSA-N 1 1 419.526 0.730 20 0 HCADMO CC(=O)Nc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604651911 1073827635 /nfs/dbraw/zinc/82/76/35/1073827635.db2.gz WXWBGWJJKBVXDX-FQEVSTJZSA-N 1 1 403.527 0.893 20 0 HCADMO CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604651912 1073827739 /nfs/dbraw/zinc/82/77/39/1073827739.db2.gz WXWBGWJJKBVXDX-HXUWFJFHSA-N 1 1 403.527 0.893 20 0 HCADMO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2 ZINC000604652017 1073827890 /nfs/dbraw/zinc/82/78/90/1073827890.db2.gz BSTGLAFAPAHHPS-IAGOWNOFSA-N 1 1 405.547 0.771 20 0 HCADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2 ZINC000604652018 1073827709 /nfs/dbraw/zinc/82/77/09/1073827709.db2.gz BSTGLAFAPAHHPS-SJORKVTESA-N 1 1 405.547 0.771 20 0 HCADMO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604652529 1073827842 /nfs/dbraw/zinc/82/78/42/1073827842.db2.gz XWLVOEJMVXIYNR-IBGZPJMESA-N 1 1 409.575 0.337 20 0 HCADMO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604652530 1073827821 /nfs/dbraw/zinc/82/78/21/1073827821.db2.gz XWLVOEJMVXIYNR-LJQANCHMSA-N 1 1 409.575 0.337 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604652535 1073827765 /nfs/dbraw/zinc/82/77/65/1073827765.db2.gz YDVOWLICEBWBFZ-KRWDZBQOSA-N 1 1 424.567 0.890 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604652536 1073827681 /nfs/dbraw/zinc/82/76/81/1073827681.db2.gz YDVOWLICEBWBFZ-QGZVFWFLSA-N 1 1 424.567 0.890 20 0 HCADMO O=C(NCCn1c(=O)oc2ccccc21)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604652723 1073827851 /nfs/dbraw/zinc/82/78/51/1073827851.db2.gz HNXMXRMPVWXMKQ-INIZCTEOSA-N 1 1 403.483 0.300 20 0 HCADMO O=C(NCCn1c(=O)oc2ccccc21)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604652724 1073828259 /nfs/dbraw/zinc/82/82/59/1073828259.db2.gz HNXMXRMPVWXMKQ-MRXNPFEDSA-N 1 1 403.483 0.300 20 0 HCADMO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604653388 1073827696 /nfs/dbraw/zinc/82/76/96/1073827696.db2.gz SMOJFQFDPMNLGN-GOSISDBHSA-N 1 1 411.591 0.582 20 0 HCADMO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604653389 1073827781 /nfs/dbraw/zinc/82/77/81/1073827781.db2.gz SMOJFQFDPMNLGN-SFHVURJKSA-N 1 1 411.591 0.582 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000604653580 1073827752 /nfs/dbraw/zinc/82/77/52/1073827752.db2.gz FJSVFCMLWAKQQY-HKUYNNGSSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000604653581 1073827877 /nfs/dbraw/zinc/82/78/77/1073827877.db2.gz FJSVFCMLWAKQQY-IEBWSBKVSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000604653582 1073827790 /nfs/dbraw/zinc/82/77/90/1073827790.db2.gz FJSVFCMLWAKQQY-MJGOQNOKSA-N 1 1 401.511 0.498 20 0 HCADMO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604653583 1073827666 /nfs/dbraw/zinc/82/76/66/1073827666.db2.gz FJSVFCMLWAKQQY-PKOBYXMFSA-N 1 1 401.511 0.498 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)C1 ZINC000604653644 1073827830 /nfs/dbraw/zinc/82/78/30/1073827830.db2.gz IOCJNUMSYPVNNJ-KRWDZBQOSA-N 1 1 401.577 0.127 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)C1 ZINC000604653645 1073827653 /nfs/dbraw/zinc/82/76/53/1073827653.db2.gz IOCJNUMSYPVNNJ-QGZVFWFLSA-N 1 1 401.577 0.127 20 0 HCADMO O=C(NCCCN(C(=O)C1CCC1)C1CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604653695 1073828337 /nfs/dbraw/zinc/82/83/37/1073828337.db2.gz KSCRBNXPAIECNV-IBGZPJMESA-N 1 1 421.586 0.873 20 0 HCADMO O=C(NCCCN(C(=O)C1CCC1)C1CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604653696 1073828275 /nfs/dbraw/zinc/82/82/75/1073828275.db2.gz KSCRBNXPAIECNV-LJQANCHMSA-N 1 1 421.586 0.873 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC000604653761 1073828197 /nfs/dbraw/zinc/82/81/97/1073828197.db2.gz PASHJOJVXDARLA-UHFFFAOYSA-N 1 1 415.538 0.768 20 0 HCADMO O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654190 1073828299 /nfs/dbraw/zinc/82/82/99/1073828299.db2.gz IAXZUVCTTJCRDB-IBGZPJMESA-N 1 1 421.517 0.651 20 0 HCADMO O=C(NCCCNC(=O)c1ccc(F)cc1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654191 1073828431 /nfs/dbraw/zinc/82/84/31/1073828431.db2.gz IAXZUVCTTJCRDB-LJQANCHMSA-N 1 1 421.517 0.651 20 0 HCADMO Cc1ccc(C(=O)NCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000604654317 1073828244 /nfs/dbraw/zinc/82/82/44/1073828244.db2.gz NSOKVMWMIMVFGQ-IBGZPJMESA-N 1 1 403.527 0.431 20 0 HCADMO O=C(NCCCNC(=O)c1cccc(F)c1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654471 1073828313 /nfs/dbraw/zinc/82/83/13/1073828313.db2.gz WJNUYDPBBDIXRW-IBGZPJMESA-N 1 1 421.517 0.651 20 0 HCADMO O=C(NCCCNC(=O)c1cccc(F)c1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604654472 1073828212 /nfs/dbraw/zinc/82/82/12/1073828212.db2.gz WJNUYDPBBDIXRW-LJQANCHMSA-N 1 1 421.517 0.651 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)C1 ZINC000604654546 1073828377 /nfs/dbraw/zinc/82/83/77/1073828377.db2.gz ASJHXVKNCFHEPZ-MSOLQXFVSA-N 1 1 414.554 0.786 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)C1 ZINC000604654547 1073828190 /nfs/dbraw/zinc/82/81/90/1073828190.db2.gz ASJHXVKNCFHEPZ-QZTJIDSGSA-N 1 1 414.554 0.786 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)C1 ZINC000604654548 1073828393 /nfs/dbraw/zinc/82/83/93/1073828393.db2.gz ASJHXVKNCFHEPZ-ROUUACIJSA-N 1 1 414.554 0.786 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)C1 ZINC000604654549 1073828361 /nfs/dbraw/zinc/82/83/61/1073828361.db2.gz ASJHXVKNCFHEPZ-ZWKOTPCHSA-N 1 1 414.554 0.786 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000604655327 1073829025 /nfs/dbraw/zinc/82/90/25/1073829025.db2.gz NRWRTOAEEUIKAF-INIZCTEOSA-N 1 1 412.556 0.783 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000604655328 1073828972 /nfs/dbraw/zinc/82/89/72/1073828972.db2.gz NRWRTOAEEUIKAF-MRXNPFEDSA-N 1 1 412.556 0.783 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000604655570 1073828407 /nfs/dbraw/zinc/82/84/07/1073828407.db2.gz WULQAWBVFMOCGY-AEFFLSMTSA-N 1 1 419.501 0.637 20 0 HCADMO O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000604655571 1073828855 /nfs/dbraw/zinc/82/88/55/1073828855.db2.gz WULQAWBVFMOCGY-FUHWJXTLSA-N 1 1 419.501 0.637 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000604655572 1073828942 /nfs/dbraw/zinc/82/89/42/1073828942.db2.gz WULQAWBVFMOCGY-SJLPKXTDSA-N 1 1 419.501 0.637 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000604655573 1073829033 /nfs/dbraw/zinc/82/90/33/1073829033.db2.gz WULQAWBVFMOCGY-WMZOPIPTSA-N 1 1 419.501 0.637 20 0 HCADMO CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000604656179 1073828841 /nfs/dbraw/zinc/82/88/41/1073828841.db2.gz GEGOCOIXPLQPLC-INIZCTEOSA-N 1 1 420.535 0.794 20 0 HCADMO CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c1 ZINC000604656180 1073828956 /nfs/dbraw/zinc/82/89/56/1073828956.db2.gz GEGOCOIXPLQPLC-MRXNPFEDSA-N 1 1 420.535 0.794 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000604656294 1073828828 /nfs/dbraw/zinc/82/88/28/1073828828.db2.gz LJACJTUMYKHZLA-AZUAARDMSA-N 1 1 415.538 0.888 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000604656295 1073829002 /nfs/dbraw/zinc/82/90/02/1073829002.db2.gz LJACJTUMYKHZLA-ICSRJNTNSA-N 1 1 415.538 0.888 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000604656296 1073829052 /nfs/dbraw/zinc/82/90/52/1073829052.db2.gz LJACJTUMYKHZLA-QUCCMNQESA-N 1 1 415.538 0.888 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000604656297 1073828905 /nfs/dbraw/zinc/82/89/05/1073828905.db2.gz LJACJTUMYKHZLA-UYAOXDASSA-N 1 1 415.538 0.888 20 0 HCADMO C[C@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656398 1073828990 /nfs/dbraw/zinc/82/89/90/1073828990.db2.gz QLGGFDKFUHEXIS-KRWDZBQOSA-N 1 1 416.530 0.413 20 0 HCADMO C[C@@H](NC(=O)NCCCCN1CC[NH+](CCO)CC1)c1nnnn1-c1ccccc1 ZINC000604656399 1073828807 /nfs/dbraw/zinc/82/88/07/1073828807.db2.gz QLGGFDKFUHEXIS-QGZVFWFLSA-N 1 1 416.530 0.413 20 0 HCADMO CN(C)CC[NH+]1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000604657524 1073828921 /nfs/dbraw/zinc/82/89/21/1073828921.db2.gz BPJVXHFDFIHRDG-UHFFFAOYSA-N 1 1 401.508 0.298 20 0 HCADMO CC(C)[C@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)N1CC[NH+](C)CC1 ZINC000604657756 1073829913 /nfs/dbraw/zinc/82/99/13/1073829913.db2.gz AXFJWFPRLYLDSQ-KRWDZBQOSA-N 1 1 415.535 0.544 20 0 HCADMO CC(C)[C@@H](CNC(=O)NCc1cc(S(N)(=O)=O)ccc1F)N1CC[NH+](C)CC1 ZINC000604657757 1073829833 /nfs/dbraw/zinc/82/98/33/1073829833.db2.gz AXFJWFPRLYLDSQ-QGZVFWFLSA-N 1 1 415.535 0.544 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)C1 ZINC000604658474 1073828934 /nfs/dbraw/zinc/82/89/34/1073828934.db2.gz BTMYEYARBFCQJL-HNNXBMFYSA-N 1 1 413.519 0.395 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)C1 ZINC000604658475 1073829047 /nfs/dbraw/zinc/82/90/47/1073829047.db2.gz BTMYEYARBFCQJL-OAHLLOKOSA-N 1 1 413.519 0.395 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000604658801 1073830321 /nfs/dbraw/zinc/83/03/21/1073830321.db2.gz OSEQEMOLRNWZLI-AWEZNQCLSA-N 1 1 402.492 0.629 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000604658802 1073830272 /nfs/dbraw/zinc/83/02/72/1073830272.db2.gz OSEQEMOLRNWZLI-CQSZACIVSA-N 1 1 402.492 0.629 20 0 HCADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000604659404 1073829809 /nfs/dbraw/zinc/82/98/09/1073829809.db2.gz KLPXOUQKGNWXNG-AWEZNQCLSA-N 1 1 400.476 0.479 20 0 HCADMO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000604659405 1073829935 /nfs/dbraw/zinc/82/99/35/1073829935.db2.gz KLPXOUQKGNWXNG-CQSZACIVSA-N 1 1 400.476 0.479 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604659513 1073829761 /nfs/dbraw/zinc/82/97/61/1073829761.db2.gz OHXKXPOBZVZVTI-UHFFFAOYSA-N 1 1 415.535 0.641 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000604659513 1073829756 /nfs/dbraw/zinc/82/97/56/1073829756.db2.gz 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CNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000604681729 1073845099 /nfs/dbraw/zinc/84/50/99/1073845099.db2.gz DVXKJYBHQZABPC-INIZCTEOSA-N 1 1 401.511 0.532 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000604681730 1073845087 /nfs/dbraw/zinc/84/50/87/1073845087.db2.gz DVXKJYBHQZABPC-MRXNPFEDSA-N 1 1 401.511 0.532 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2n(C)c1=O ZINC000604681736 1073845017 /nfs/dbraw/zinc/84/50/17/1073845017.db2.gz FCSXMHOLOFQYIF-INIZCTEOSA-N 1 1 414.510 0.054 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2n(C)c1=O ZINC000604681737 1073845123 /nfs/dbraw/zinc/84/51/23/1073845123.db2.gz FCSXMHOLOFQYIF-MRXNPFEDSA-N 1 1 414.510 0.054 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681762 1073845066 /nfs/dbraw/zinc/84/50/66/1073845066.db2.gz GRHKMXYKAWQRIC-GOSISDBHSA-N 1 1 412.498 0.148 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604681763 1073844953 /nfs/dbraw/zinc/84/49/53/1073844953.db2.gz GRHKMXYKAWQRIC-SFHVURJKSA-N 1 1 412.498 0.148 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)C1 ZINC000604681764 1073844994 /nfs/dbraw/zinc/84/49/94/1073844994.db2.gz GRYUUUXYDSKPDB-KRWDZBQOSA-N 1 1 414.510 0.607 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)C1 ZINC000604681765 1073845062 /nfs/dbraw/zinc/84/50/62/1073845062.db2.gz GRYUUUXYDSKPDB-QGZVFWFLSA-N 1 1 414.510 0.607 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC ZINC000604681780 1073847512 /nfs/dbraw/zinc/84/75/12/1073847512.db2.gz HFECCWUPQXEXBL-HNNXBMFYSA-N 1 1 420.510 0.889 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1OC ZINC000604681781 1073847484 /nfs/dbraw/zinc/84/74/84/1073847484.db2.gz HFECCWUPQXEXBL-OAHLLOKOSA-N 1 1 420.510 0.889 20 0 HCADMO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604681794 1073847542 /nfs/dbraw/zinc/84/75/42/1073847542.db2.gz IDXZFEXZEJVKLX-GOSISDBHSA-N 1 1 401.511 0.152 20 0 HCADMO CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604681795 1073847433 /nfs/dbraw/zinc/84/74/33/1073847433.db2.gz IDXZFEXZEJVKLX-SFHVURJKSA-N 1 1 401.511 0.152 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604681809 1073847426 /nfs/dbraw/zinc/84/74/26/1073847426.db2.gz ITRWKIGXMYMRNH-GOSISDBHSA-N 1 1 401.511 0.613 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604681810 1073847455 /nfs/dbraw/zinc/84/74/55/1073847455.db2.gz ITRWKIGXMYMRNH-SFHVURJKSA-N 1 1 401.511 0.613 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000604681820 1073847574 /nfs/dbraw/zinc/84/75/74/1073847574.db2.gz JBNUHNGNDYTDTC-GOSISDBHSA-N 1 1 400.527 0.859 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000604681821 1073847494 /nfs/dbraw/zinc/84/74/94/1073847494.db2.gz JBNUHNGNDYTDTC-SFHVURJKSA-N 1 1 400.527 0.859 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681822 1073847447 /nfs/dbraw/zinc/84/74/47/1073847447.db2.gz JEXQCAKBYBKKGA-GOSISDBHSA-N 1 1 401.511 0.613 20 0 HCADMO CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681823 1073847544 /nfs/dbraw/zinc/84/75/44/1073847544.db2.gz JEXQCAKBYBKKGA-SFHVURJKSA-N 1 1 401.511 0.613 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)C1 ZINC000604681843 1073847552 /nfs/dbraw/zinc/84/75/52/1073847552.db2.gz JTJDEJGFEZJWSK-HNNXBMFYSA-N 1 1 417.485 0.887 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc4c(cc3F)CCC(=O)N4)CC2)C1 ZINC000604681844 1073847587 /nfs/dbraw/zinc/84/75/87/1073847587.db2.gz JTJDEJGFEZJWSK-OAHLLOKOSA-N 1 1 417.485 0.887 20 0 HCADMO COCCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681855 1073847855 /nfs/dbraw/zinc/84/78/55/1073847855.db2.gz JYYYGEISNRZRAK-GOSISDBHSA-N 1 1 404.511 0.889 20 0 HCADMO COCCOc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681856 1073847893 /nfs/dbraw/zinc/84/78/93/1073847893.db2.gz JYYYGEISNRZRAK-SFHVURJKSA-N 1 1 404.511 0.889 20 0 HCADMO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000604681859 1073847779 /nfs/dbraw/zinc/84/77/79/1073847779.db2.gz KBDSKDQQUJHPIM-HNNXBMFYSA-N 1 1 420.510 0.904 20 0 HCADMO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000604681860 1073847877 /nfs/dbraw/zinc/84/78/77/1073847877.db2.gz KBDSKDQQUJHPIM-OAHLLOKOSA-N 1 1 420.510 0.904 20 0 HCADMO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000604681887 1073847937 /nfs/dbraw/zinc/84/79/37/1073847937.db2.gz LCFRMYKKYKHNDA-UHFFFAOYSA-N 1 1 400.483 0.726 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)C1 ZINC000604681895 1073847824 /nfs/dbraw/zinc/84/78/24/1073847824.db2.gz LOLQEJSFBIHYFE-IBGZPJMESA-N 1 1 413.522 0.756 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2)C1 ZINC000604681896 1073847799 /nfs/dbraw/zinc/84/77/99/1073847799.db2.gz LOLQEJSFBIHYFE-LJQANCHMSA-N 1 1 413.522 0.756 20 0 HCADMO CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000604681911 1073847769 /nfs/dbraw/zinc/84/77/69/1073847769.db2.gz MFOLUSQXCQMSPC-UHFFFAOYSA-N 1 1 420.510 0.445 20 0 HCADMO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681919 1073847133 /nfs/dbraw/zinc/84/71/33/1073847133.db2.gz MQDCAYSZRRTUMV-GOSISDBHSA-N 1 1 401.511 0.565 20 0 HCADMO CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604681920 1073847070 /nfs/dbraw/zinc/84/70/70/1073847070.db2.gz MQDCAYSZRRTUMV-SFHVURJKSA-N 1 1 401.511 0.565 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)C1 ZINC000604681947 1073846971 /nfs/dbraw/zinc/84/69/71/1073846971.db2.gz NZMPXFOSZVJPDD-GOSISDBHSA-N 1 1 411.510 0.503 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)C1 ZINC000604681948 1073847153 /nfs/dbraw/zinc/84/71/53/1073847153.db2.gz NZMPXFOSZVJPDD-SFHVURJKSA-N 1 1 411.510 0.503 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604681949 1073847034 /nfs/dbraw/zinc/84/70/34/1073847034.db2.gz OBZJBKOEWSZSTP-GOSISDBHSA-N 1 1 422.551 0.408 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604681950 1073847030 /nfs/dbraw/zinc/84/70/30/1073847030.db2.gz OBZJBKOEWSZSTP-SFHVURJKSA-N 1 1 422.551 0.408 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)C1 ZINC000604681954 1073847009 /nfs/dbraw/zinc/84/70/09/1073847009.db2.gz OGJGHTSSQLMTIF-AWEZNQCLSA-N 1 1 407.902 0.616 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)C1 ZINC000604681955 1073847081 /nfs/dbraw/zinc/84/70/81/1073847081.db2.gz OGJGHTSSQLMTIF-CQSZACIVSA-N 1 1 407.902 0.616 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000604681956 1073847146 /nfs/dbraw/zinc/84/71/46/1073847146.db2.gz OITZBPREURBPOK-HNNXBMFYSA-N 1 1 401.467 0.194 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000604681957 1073847058 /nfs/dbraw/zinc/84/70/58/1073847058.db2.gz OITZBPREURBPOK-OAHLLOKOSA-N 1 1 401.467 0.194 20 0 HCADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000604681958 1073847122 /nfs/dbraw/zinc/84/71/22/1073847122.db2.gz OJNAFAJBWUXBMO-UHFFFAOYSA-N 1 1 406.508 0.975 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604681981 1073847048 /nfs/dbraw/zinc/84/70/48/1073847048.db2.gz PQNAJDIOAHVSCP-INIZCTEOSA-N 1 1 408.524 0.267 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)C1 ZINC000604681982 1073846990 /nfs/dbraw/zinc/84/69/90/1073846990.db2.gz PQNAJDIOAHVSCP-MRXNPFEDSA-N 1 1 408.524 0.267 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1-n1cnnn1 ZINC000604681990 1073847087 /nfs/dbraw/zinc/84/70/87/1073847087.db2.gz PXVUHMZYLKEEAQ-KRWDZBQOSA-N 1 1 412.498 0.148 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1-n1cnnn1 ZINC000604681991 1073846950 /nfs/dbraw/zinc/84/69/50/1073846950.db2.gz PXVUHMZYLKEEAQ-QGZVFWFLSA-N 1 1 412.498 0.148 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682000 1073847113 /nfs/dbraw/zinc/84/71/13/1073847113.db2.gz QILWTRHYQGXFLK-KRWDZBQOSA-N 1 1 417.510 0.831 20 0 HCADMO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682001 1073846935 /nfs/dbraw/zinc/84/69/35/1073846935.db2.gz QILWTRHYQGXFLK-QGZVFWFLSA-N 1 1 417.510 0.831 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2oc1=O ZINC000604682006 1073846979 /nfs/dbraw/zinc/84/69/79/1073846979.db2.gz QKTNIXUUTIYEBY-HNNXBMFYSA-N 1 1 401.467 0.308 20 0 HCADMO Cn1c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2oc1=O ZINC000604682007 1073847474 /nfs/dbraw/zinc/84/74/74/1073847474.db2.gz QKTNIXUUTIYEBY-OAHLLOKOSA-N 1 1 401.467 0.308 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000604682013 1073847441 /nfs/dbraw/zinc/84/74/41/1073847441.db2.gz QTMDMOSDURQWHT-KRWDZBQOSA-N 1 1 405.499 0.284 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000604682014 1073847465 /nfs/dbraw/zinc/84/74/65/1073847465.db2.gz QTMDMOSDURQWHT-QGZVFWFLSA-N 1 1 405.499 0.284 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1NC(C)=O ZINC000604682015 1073847526 /nfs/dbraw/zinc/84/75/26/1073847526.db2.gz QVKDQCKGQQWXGC-KRWDZBQOSA-N 1 1 417.510 0.831 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1NC(C)=O ZINC000604682016 1073847567 /nfs/dbraw/zinc/84/75/67/1073847567.db2.gz QVKDQCKGQQWXGC-QGZVFWFLSA-N 1 1 417.510 0.831 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cccc1-n1cnnn1 ZINC000604682023 1073847580 /nfs/dbraw/zinc/84/75/80/1073847580.db2.gz RCFUEOFVJZXVTC-INIZCTEOSA-N 1 1 412.498 0.148 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cccc1-n1cnnn1 ZINC000604682024 1073847559 /nfs/dbraw/zinc/84/75/59/1073847559.db2.gz RCFUEOFVJZXVTC-MRXNPFEDSA-N 1 1 412.498 0.148 20 0 HCADMO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682067 1073846135 /nfs/dbraw/zinc/84/61/35/1073846135.db2.gz UDOVXVNACCEUPY-INIZCTEOSA-N 1 1 422.551 0.575 20 0 HCADMO Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682068 1073846174 /nfs/dbraw/zinc/84/61/74/1073846174.db2.gz UDOVXVNACCEUPY-MRXNPFEDSA-N 1 1 422.551 0.575 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)C1 ZINC000604682081 1073846153 /nfs/dbraw/zinc/84/61/53/1073846153.db2.gz UOTHZQTVTIMHBD-GOSISDBHSA-N 1 1 414.510 0.393 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)C1 ZINC000604682082 1073846574 /nfs/dbraw/zinc/84/65/74/1073846574.db2.gz UOTHZQTVTIMHBD-SFHVURJKSA-N 1 1 414.510 0.393 20 0 HCADMO Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)ccc1F ZINC000604682085 1073846541 /nfs/dbraw/zinc/84/65/41/1073846541.db2.gz VAHMMBBPJUJTKT-UHFFFAOYSA-N 1 1 419.461 0.354 20 0 HCADMO C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2NC1=O ZINC000604682093 1073846603 /nfs/dbraw/zinc/84/66/03/1073846603.db2.gz VKDCPRBXSGFDKW-GDBMZVCRSA-N 1 1 415.494 0.583 20 0 HCADMO C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2NC1=O ZINC000604682094 1073846642 /nfs/dbraw/zinc/84/66/42/1073846642.db2.gz VKDCPRBXSGFDKW-GOEBONIOSA-N 1 1 415.494 0.583 20 0 HCADMO C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2NC1=O ZINC000604682095 1073846517 /nfs/dbraw/zinc/84/65/17/1073846517.db2.gz VKDCPRBXSGFDKW-HOCLYGCPSA-N 1 1 415.494 0.583 20 0 HCADMO C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2NC1=O ZINC000604682096 1073846553 /nfs/dbraw/zinc/84/65/53/1073846553.db2.gz VKDCPRBXSGFDKW-ZBFHGGJFSA-N 1 1 415.494 0.583 20 0 HCADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000604682099 1073846594 /nfs/dbraw/zinc/84/65/94/1073846594.db2.gz VRJAHXSITVZTOZ-UHFFFAOYSA-N 1 1 411.524 0.724 20 0 HCADMO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000604682100 1073846634 /nfs/dbraw/zinc/84/66/34/1073846634.db2.gz VRPGQUYWXSUOEG-UHFFFAOYSA-N 1 1 420.510 0.641 20 0 HCADMO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682137 1073846567 /nfs/dbraw/zinc/84/65/67/1073846567.db2.gz XPLALVWUBOMYOK-KRWDZBQOSA-N 1 1 401.511 0.532 20 0 HCADMO CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682138 1073846613 /nfs/dbraw/zinc/84/66/13/1073846613.db2.gz XPLALVWUBOMYOK-QGZVFWFLSA-N 1 1 401.511 0.532 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604682176 1073846528 /nfs/dbraw/zinc/84/65/28/1073846528.db2.gz YSJXNEVBNJLHOT-INIZCTEOSA-N 1 1 408.524 0.267 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)C1 ZINC000604682177 1073846623 /nfs/dbraw/zinc/84/66/23/1073846623.db2.gz YSJXNEVBNJLHOT-MRXNPFEDSA-N 1 1 408.524 0.267 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000604682178 1073846557 /nfs/dbraw/zinc/84/65/57/1073846557.db2.gz YVCYLPAEDMGXBZ-UHFFFAOYSA-N 1 1 404.511 0.988 20 0 HCADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604682179 1073846670 /nfs/dbraw/zinc/84/66/70/1073846670.db2.gz YVNNGPXLNSPFJX-INIZCTEOSA-N 1 1 422.551 0.575 20 0 HCADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604682180 1073846650 /nfs/dbraw/zinc/84/66/50/1073846650.db2.gz YVNNGPXLNSPFJX-MRXNPFEDSA-N 1 1 422.551 0.575 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)CC2)C1 ZINC000604682189 1073846685 /nfs/dbraw/zinc/84/66/85/1073846685.db2.gz ZKVHPMSTCOLKSZ-CYBMUJFWSA-N 1 1 415.416 0.983 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)CC2)C1 ZINC000604682190 1073846676 /nfs/dbraw/zinc/84/66/76/1073846676.db2.gz ZKVHPMSTCOLKSZ-ZDUSSCGKSA-N 1 1 415.416 0.983 20 0 HCADMO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682202 1073846962 /nfs/dbraw/zinc/84/69/62/1073846962.db2.gz ZYHYQYMRRQDHIG-HNNXBMFYSA-N 1 1 421.929 0.877 20 0 HCADMO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682203 1073847100 /nfs/dbraw/zinc/84/71/00/1073847100.db2.gz ZYHYQYMRRQDHIG-OAHLLOKOSA-N 1 1 421.929 0.877 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682284 1073846085 /nfs/dbraw/zinc/84/60/85/1073846085.db2.gz DVEAATCIGYQNSV-GOSISDBHSA-N 1 1 415.538 0.874 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682285 1073846168 /nfs/dbraw/zinc/84/61/68/1073846168.db2.gz DVEAATCIGYQNSV-SFHVURJKSA-N 1 1 415.538 0.874 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)C1 ZINC000604682321 1073846117 /nfs/dbraw/zinc/84/61/17/1073846117.db2.gz GSYXJGMGNRSYFS-KRWDZBQOSA-N 1 1 416.526 0.095 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)C1 ZINC000604682322 1073846066 /nfs/dbraw/zinc/84/60/66/1073846066.db2.gz GSYXJGMGNRSYFS-QGZVFWFLSA-N 1 1 416.526 0.095 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2C1=O ZINC000604682327 1073846210 /nfs/dbraw/zinc/84/62/10/1073846210.db2.gz GTVBSCCJWXWFSF-HNNXBMFYSA-N 1 1 413.478 0.089 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2C1=O ZINC000604682328 1073846075 /nfs/dbraw/zinc/84/60/75/1073846075.db2.gz GTVBSCCJWXWFSF-OAHLLOKOSA-N 1 1 413.478 0.089 20 0 HCADMO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1F ZINC000604682333 1073846203 /nfs/dbraw/zinc/84/62/03/1073846203.db2.gz HACOBTIXIJACTQ-INIZCTEOSA-N 1 1 405.474 0.961 20 0 HCADMO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1F ZINC000604682334 1073846217 /nfs/dbraw/zinc/84/62/17/1073846217.db2.gz HACOBTIXIJACTQ-MRXNPFEDSA-N 1 1 405.474 0.961 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1OC ZINC000604682336 1073846054 /nfs/dbraw/zinc/84/60/54/1073846054.db2.gz HFMRDAILPRLSNY-INIZCTEOSA-N 1 1 420.510 0.889 20 0 HCADMO COc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1OC ZINC000604682337 1073846191 /nfs/dbraw/zinc/84/61/91/1073846191.db2.gz HFMRDAILPRLSNY-MRXNPFEDSA-N 1 1 420.510 0.889 20 0 HCADMO COCCOc1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682341 1073846038 /nfs/dbraw/zinc/84/60/38/1073846038.db2.gz HLXWUEIACSCMCU-KRWDZBQOSA-N 1 1 404.511 0.889 20 0 HCADMO COCCOc1ccccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682342 1073846107 /nfs/dbraw/zinc/84/61/07/1073846107.db2.gz HLXWUEIACSCMCU-QGZVFWFLSA-N 1 1 404.511 0.889 20 0 HCADMO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000604682373 1073845476 /nfs/dbraw/zinc/84/54/76/1073845476.db2.gz IRZGPPBYJYTTCE-IBGZPJMESA-N 1 1 413.522 0.773 20 0 HCADMO CC(=O)N1CCc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc21 ZINC000604682374 1073845488 /nfs/dbraw/zinc/84/54/88/1073845488.db2.gz IRZGPPBYJYTTCE-LJQANCHMSA-N 1 1 413.522 0.773 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682417 1073845588 /nfs/dbraw/zinc/84/55/88/1073845588.db2.gz KAQUZHJHMWZBMY-GOSISDBHSA-N 1 1 404.511 0.889 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682418 1073845556 /nfs/dbraw/zinc/84/55/56/1073845556.db2.gz KAQUZHJHMWZBMY-SFHVURJKSA-N 1 1 404.511 0.889 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)C1 ZINC000604682450 1073845510 /nfs/dbraw/zinc/84/55/10/1073845510.db2.gz LSCCTWNHBLXAND-INIZCTEOSA-N 1 1 417.510 0.118 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)C1 ZINC000604682451 1073845657 /nfs/dbraw/zinc/84/56/57/1073845657.db2.gz LSCCTWNHBLXAND-MRXNPFEDSA-N 1 1 417.510 0.118 20 0 HCADMO COCCOc1ncccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682464 1073845620 /nfs/dbraw/zinc/84/56/20/1073845620.db2.gz MDJVHJSTKSTCIJ-INIZCTEOSA-N 1 1 405.499 0.284 20 0 HCADMO COCCOc1ncccc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604682465 1073846126 /nfs/dbraw/zinc/84/61/26/1073846126.db2.gz MDJVHJSTKSTCIJ-MRXNPFEDSA-N 1 1 405.499 0.284 20 0 HCADMO CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000604682502 1073845051 /nfs/dbraw/zinc/84/50/51/1073845051.db2.gz NMLQAVXJWCQZRZ-GOSISDBHSA-N 1 1 413.522 0.773 20 0 HCADMO CN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccc21 ZINC000604682503 1073844976 /nfs/dbraw/zinc/84/49/76/1073844976.db2.gz NMLQAVXJWCQZRZ-SFHVURJKSA-N 1 1 413.522 0.773 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)C1 ZINC000604682514 1073845007 /nfs/dbraw/zinc/84/50/07/1073845007.db2.gz NQVUMHVBEFWFGJ-LJQANCHMSA-N 1 1 413.522 0.990 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)C1 ZINC000604682517 1073844944 /nfs/dbraw/zinc/84/49/44/1073844944.db2.gz NSRFDQDVLAWGTC-HNNXBMFYSA-N 1 1 417.535 0.908 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CS4)CC2)C1 ZINC000604682518 1073845092 /nfs/dbraw/zinc/84/50/92/1073845092.db2.gz NSRFDQDVLAWGTC-OAHLLOKOSA-N 1 1 417.535 0.908 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)C1 ZINC000604682531 1073844986 /nfs/dbraw/zinc/84/49/86/1073844986.db2.gz OESVNTPHOQRAIK-FQEVSTJZSA-N 1 1 415.538 0.700 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)C1 ZINC000604682532 1073845635 /nfs/dbraw/zinc/84/56/35/1073845635.db2.gz OESVNTPHOQRAIK-HXUWFJFHSA-N 1 1 415.538 0.700 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604682566 1073845441 /nfs/dbraw/zinc/84/54/41/1073845441.db2.gz PLYQKKUYERGWQB-GOSISDBHSA-N 1 1 415.538 0.922 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000604682567 1073845597 /nfs/dbraw/zinc/84/55/97/1073845597.db2.gz PLYQKKUYERGWQB-SFHVURJKSA-N 1 1 415.538 0.922 20 0 HCADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682577 1073845626 /nfs/dbraw/zinc/84/56/26/1073845626.db2.gz PUIRXVCXYLQTML-KRWDZBQOSA-N 1 1 422.551 0.657 20 0 HCADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604682578 1073845501 /nfs/dbraw/zinc/84/55/01/1073845501.db2.gz PUIRXVCXYLQTML-QGZVFWFLSA-N 1 1 422.551 0.657 20 0 HCADMO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682583 1073845576 /nfs/dbraw/zinc/84/55/76/1073845576.db2.gz PWYHLBBRHAJPMN-INIZCTEOSA-N 1 1 417.510 0.232 20 0 HCADMO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682584 1073845566 /nfs/dbraw/zinc/84/55/66/1073845566.db2.gz PWYHLBBRHAJPMN-MRXNPFEDSA-N 1 1 417.510 0.232 20 0 HCADMO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682591 1073845453 /nfs/dbraw/zinc/84/54/53/1073845453.db2.gz QKIAFCRQVXDGQE-GOSISDBHSA-N 1 1 411.510 0.659 20 0 HCADMO Cn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604682592 1073845539 /nfs/dbraw/zinc/84/55/39/1073845539.db2.gz QKIAFCRQVXDGQE-SFHVURJKSA-N 1 1 411.510 0.659 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)C1 ZINC000604682621 1073845610 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O=S1(=O)C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](N2CCOCC2)C1 ZINC000604764677 1073856170 /nfs/dbraw/zinc/85/61/70/1073856170.db2.gz BQNHRRKDOIPKKS-NHCUHLMSSA-N 1 1 423.579 0.749 20 0 HCADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000604764678 1073856149 /nfs/dbraw/zinc/85/61/49/1073856149.db2.gz BQNHRRKDOIPKKS-RTWAWAEBSA-N 1 1 423.579 0.749 20 0 HCADMO O=S1(=O)C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](N2CCOCC2)C1 ZINC000604764679 1073856211 /nfs/dbraw/zinc/85/62/11/1073856211.db2.gz BQNHRRKDOIPKKS-SFTDATJTSA-N 1 1 423.579 0.749 20 0 HCADMO CCOc1c(OC)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000604765040 1073856530 /nfs/dbraw/zinc/85/65/30/1073856530.db2.gz MQWJJANVGUHMIR-CVEARBPZSA-N 1 1 414.524 0.690 20 0 HCADMO CCOc1c(OC)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000604765041 1073856610 /nfs/dbraw/zinc/85/66/10/1073856610.db2.gz MQWJJANVGUHMIR-HOTGVXAUSA-N 1 1 414.524 0.690 20 0 HCADMO CCOc1c(OC)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000604765042 1073856658 /nfs/dbraw/zinc/85/66/58/1073856658.db2.gz MQWJJANVGUHMIR-HZPDHXFCSA-N 1 1 414.524 0.690 20 0 HCADMO CCOc1c(OC)cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000604765043 1073856570 /nfs/dbraw/zinc/85/65/70/1073856570.db2.gz MQWJJANVGUHMIR-JKSUJKDBSA-N 1 1 414.524 0.690 20 0 HCADMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(Cl)c1OC ZINC000604765055 1073856616 /nfs/dbraw/zinc/85/66/16/1073856616.db2.gz MZUJAASHIJOZPJ-CABCVRRESA-N 1 1 404.916 0.945 20 0 HCADMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(Cl)c1OC ZINC000604765062 1073856585 /nfs/dbraw/zinc/85/65/85/1073856585.db2.gz MZUJAASHIJOZPJ-GJZGRUSLSA-N 1 1 404.916 0.945 20 0 HCADMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(Cl)c1OC ZINC000604765063 1073856635 /nfs/dbraw/zinc/85/66/35/1073856635.db2.gz MZUJAASHIJOZPJ-HUUCEWRRSA-N 1 1 404.916 0.945 20 0 HCADMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(Cl)c1OC ZINC000604765064 1073856666 /nfs/dbraw/zinc/85/66/66/1073856666.db2.gz MZUJAASHIJOZPJ-LSDHHAIUSA-N 1 1 404.916 0.945 20 0 HCADMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC ZINC000604765473 1073856179 /nfs/dbraw/zinc/85/61/79/1073856179.db2.gz PZZXZNAHPFZIJN-CABCVRRESA-N 1 1 400.497 0.300 20 0 HCADMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC ZINC000604765477 1073856523 /nfs/dbraw/zinc/85/65/23/1073856523.db2.gz PZZXZNAHPFZIJN-GJZGRUSLSA-N 1 1 400.497 0.300 20 0 HCADMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000604765478 1073856652 /nfs/dbraw/zinc/85/66/52/1073856652.db2.gz PZZXZNAHPFZIJN-HUUCEWRRSA-N 1 1 400.497 0.300 20 0 HCADMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000604765479 1073856576 /nfs/dbraw/zinc/85/65/76/1073856576.db2.gz PZZXZNAHPFZIJN-LSDHHAIUSA-N 1 1 400.497 0.300 20 0 HCADMO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000604766049 1073856547 /nfs/dbraw/zinc/85/65/47/1073856547.db2.gz ZPYRZHWGNCSREL-CABCVRRESA-N 1 1 402.900 0.699 20 0 HCADMO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](N2CCOCC2)C1 ZINC000604766050 1073856555 /nfs/dbraw/zinc/85/65/55/1073856555.db2.gz ZPYRZHWGNCSREL-GJZGRUSLSA-N 1 1 402.900 0.699 20 0 HCADMO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](N2CCOCC2)C1 ZINC000604766077 1073856646 /nfs/dbraw/zinc/85/66/46/1073856646.db2.gz ZPYRZHWGNCSREL-HUUCEWRRSA-N 1 1 402.900 0.699 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604767226 1073857112 /nfs/dbraw/zinc/85/71/12/1073857112.db2.gz ZHFMMLUENQPEQP-KRWDZBQOSA-N 1 1 415.581 0.632 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)C1 ZINC000604767227 1073857034 /nfs/dbraw/zinc/85/70/34/1073857034.db2.gz ZHFMMLUENQPEQP-QGZVFWFLSA-N 1 1 415.581 0.632 20 0 HCADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000604774039 1073853708 /nfs/dbraw/zinc/85/37/08/1073853708.db2.gz BZABOHMMNNCKTE-AWEZNQCLSA-N 1 1 424.475 0.813 20 0 HCADMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000604774040 1073854171 /nfs/dbraw/zinc/85/41/71/1073854171.db2.gz BZABOHMMNNCKTE-CQSZACIVSA-N 1 1 424.475 0.813 20 0 HCADMO CCN(C(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604774384 1073853789 /nfs/dbraw/zinc/85/37/89/1073853789.db2.gz VKWCWPQGPOOPFY-FHWLQOOXSA-N 1 1 414.616 0.512 20 0 HCADMO CCN(C(=O)[C@H](C)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604774386 1073853651 /nfs/dbraw/zinc/85/36/51/1073853651.db2.gz VKWCWPQGPOOPFY-GBESFXJTSA-N 1 1 414.616 0.512 20 0 HCADMO CCN(C(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000604774387 1073853775 /nfs/dbraw/zinc/85/37/75/1073853775.db2.gz VKWCWPQGPOOPFY-IPMKNSEASA-N 1 1 414.616 0.512 20 0 HCADMO CCN(C(=O)[C@H](C)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000604774388 1073853683 /nfs/dbraw/zinc/85/36/83/1073853683.db2.gz VKWCWPQGPOOPFY-OTWHNJEPSA-N 1 1 414.616 0.512 20 0 HCADMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000604775900 1073854084 /nfs/dbraw/zinc/85/40/84/1073854084.db2.gz UNCIAOBCDAZQDH-GOSISDBHSA-N 1 1 404.511 0.728 20 0 HCADMO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000604775900 1073854079 /nfs/dbraw/zinc/85/40/79/1073854079.db2.gz UNCIAOBCDAZQDH-GOSISDBHSA-N 1 1 404.511 0.728 20 0 HCADMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000604775901 1073854159 /nfs/dbraw/zinc/85/41/59/1073854159.db2.gz UNCIAOBCDAZQDH-SFHVURJKSA-N 1 1 404.511 0.728 20 0 HCADMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)o1 ZINC000604775901 1073854158 /nfs/dbraw/zinc/85/41/58/1073854158.db2.gz UNCIAOBCDAZQDH-SFHVURJKSA-N 1 1 404.511 0.728 20 0 HCADMO Cc1ccc(N(C)C2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC000604782617 1073854138 /nfs/dbraw/zinc/85/41/38/1073854138.db2.gz OJBNGJSYPQGLSE-KRWDZBQOSA-N 1 1 403.531 0.735 20 0 HCADMO Cc1ccc(N(C)C2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)nn1 ZINC000604782619 1073854204 /nfs/dbraw/zinc/85/42/04/1073854204.db2.gz OJBNGJSYPQGLSE-QGZVFWFLSA-N 1 1 403.531 0.735 20 0 HCADMO COCC[C@](C)(O)CNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000604801293 1073857021 /nfs/dbraw/zinc/85/70/21/1073857021.db2.gz XIJHKPULDQFOTQ-NRFANRHFSA-N 1 1 421.542 0.806 20 0 HCADMO COCC[C@@](C)(O)CNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000604801294 1073857059 /nfs/dbraw/zinc/85/70/59/1073857059.db2.gz XIJHKPULDQFOTQ-OAQYLSRUSA-N 1 1 421.542 0.806 20 0 HCADMO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000604820716 1073857396 /nfs/dbraw/zinc/85/73/96/1073857396.db2.gz WSDAVUKTIKJQAD-MOPGFXCFSA-N 1 1 411.591 0.759 20 0 HCADMO CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000604820717 1073857498 /nfs/dbraw/zinc/85/74/98/1073857498.db2.gz WSDAVUKTIKJQAD-OALUTQOASA-N 1 1 411.591 0.759 20 0 HCADMO CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000604820718 1073857359 /nfs/dbraw/zinc/85/73/59/1073857359.db2.gz WSDAVUKTIKJQAD-RBUKOAKNSA-N 1 1 411.591 0.759 20 0 HCADMO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000604820719 1073857458 /nfs/dbraw/zinc/85/74/58/1073857458.db2.gz WSDAVUKTIKJQAD-RTBURBONSA-N 1 1 411.591 0.759 20 0 HCADMO CN(C(=O)CNC(=O)C1CCCCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000604865302 1073861191 /nfs/dbraw/zinc/86/11/91/1073861191.db2.gz WMLPFZNNYJEUIM-UHFFFAOYSA-N 1 1 421.586 0.380 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000604866330 1073861182 /nfs/dbraw/zinc/86/11/82/1073861182.db2.gz IYGYTSINIIEWSB-UHFFFAOYSA-N 1 1 404.555 0.989 20 0 HCADMO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000604866710 1073861230 /nfs/dbraw/zinc/86/12/30/1073861230.db2.gz XYSQXZOQDGSSSM-HNNXBMFYSA-N 1 1 411.524 0.385 20 0 HCADMO COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000604866711 1073861175 /nfs/dbraw/zinc/86/11/75/1073861175.db2.gz XYSQXZOQDGSSSM-OAHLLOKOSA-N 1 1 411.524 0.385 20 0 HCADMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@H]1CC ZINC000604869320 1073858041 /nfs/dbraw/zinc/85/80/41/1073858041.db2.gz MLOFNXUDTFQZQX-GOEBONIOSA-N 1 1 416.544 0.918 20 0 HCADMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@@H]1CC ZINC000604869325 1073858097 /nfs/dbraw/zinc/85/80/97/1073858097.db2.gz MLOFNXUDTFQZQX-HOCLYGCPSA-N 1 1 416.544 0.918 20 0 HCADMO Cc1c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000604879282 1073867809 /nfs/dbraw/zinc/86/78/09/1073867809.db2.gz MVZFPIHBRQPIAP-HNNXBMFYSA-N 1 1 418.523 0.327 20 0 HCADMO Cc1c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000604879283 1073867763 /nfs/dbraw/zinc/86/77/63/1073867763.db2.gz MVZFPIHBRQPIAP-OAHLLOKOSA-N 1 1 418.523 0.327 20 0 HCADMO CN(C)c1ncc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000604890881 1073870402 /nfs/dbraw/zinc/87/04/02/1073870402.db2.gz GRRNIBFOMUMOKH-UHFFFAOYSA-N 1 1 404.540 0.769 20 0 HCADMO COCCOC1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000604894049 1073862181 /nfs/dbraw/zinc/86/21/81/1073862181.db2.gz KZQYPJYZTGZVRO-UHFFFAOYSA-N 1 1 406.531 0.826 20 0 HCADMO CS(=O)(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000604894352 1073861712 /nfs/dbraw/zinc/86/17/12/1073861712.db2.gz HPVQVIZLMFGGKW-IBGZPJMESA-N 1 1 423.583 0.527 20 0 HCADMO CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000604894353 1073861575 /nfs/dbraw/zinc/86/15/75/1073861575.db2.gz HPVQVIZLMFGGKW-LJQANCHMSA-N 1 1 423.583 0.527 20 0 HCADMO CS(=O)(=O)N[C@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000604894368 1073861521 /nfs/dbraw/zinc/86/15/21/1073861521.db2.gz IOMTVMMMRISOFF-INIZCTEOSA-N 1 1 413.519 0.281 20 0 HCADMO CS(=O)(=O)N[C@@H]1CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000604894369 1073861697 /nfs/dbraw/zinc/86/16/97/1073861697.db2.gz IOMTVMMMRISOFF-MRXNPFEDSA-N 1 1 413.519 0.281 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895723 1073862256 /nfs/dbraw/zinc/86/22/56/1073862256.db2.gz JIAPYGNMZUAGLU-CRAIPNDOSA-N 1 1 410.540 0.740 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895723 1073862254 /nfs/dbraw/zinc/86/22/54/1073862254.db2.gz JIAPYGNMZUAGLU-CRAIPNDOSA-N 1 1 410.540 0.740 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895724 1073862235 /nfs/dbraw/zinc/86/22/35/1073862235.db2.gz JIAPYGNMZUAGLU-MAUKXSAKSA-N 1 1 410.540 0.740 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895724 1073862232 /nfs/dbraw/zinc/86/22/32/1073862232.db2.gz JIAPYGNMZUAGLU-MAUKXSAKSA-N 1 1 410.540 0.740 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895725 1073862070 /nfs/dbraw/zinc/86/20/70/1073862070.db2.gz JIAPYGNMZUAGLU-QAPCUYQASA-N 1 1 410.540 0.740 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895725 1073862067 /nfs/dbraw/zinc/86/20/67/1073862067.db2.gz JIAPYGNMZUAGLU-QAPCUYQASA-N 1 1 410.540 0.740 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895726 1073862212 /nfs/dbraw/zinc/86/22/12/1073862212.db2.gz JIAPYGNMZUAGLU-YJBOKZPZSA-N 1 1 410.540 0.740 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CCO1 ZINC000604895726 1073862210 /nfs/dbraw/zinc/86/22/10/1073862210.db2.gz JIAPYGNMZUAGLU-YJBOKZPZSA-N 1 1 410.540 0.740 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896793 1073862193 /nfs/dbraw/zinc/86/21/93/1073862193.db2.gz XWQWJYSHVQNXTJ-IBGZPJMESA-N 1 1 423.583 0.657 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604896794 1073862098 /nfs/dbraw/zinc/86/20/98/1073862098.db2.gz XWQWJYSHVQNXTJ-LJQANCHMSA-N 1 1 423.583 0.657 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000604896824 1073862167 /nfs/dbraw/zinc/86/21/67/1073862167.db2.gz YZHJYFGXOHLGPW-IBGZPJMESA-N 1 1 423.583 0.657 20 0 HCADMO CC[N@@H+](CCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CC1 ZINC000604898072 1073862651 /nfs/dbraw/zinc/86/26/51/1073862651.db2.gz ASTLGGRDOXWWHR-UHFFFAOYSA-N 1 1 423.583 0.906 20 0 HCADMO COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000604902680 1073863130 /nfs/dbraw/zinc/86/31/30/1073863130.db2.gz XHSDZTMYNLJEKJ-HNNXBMFYSA-N 1 1 411.524 0.337 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604906674 1073863451 /nfs/dbraw/zinc/86/34/51/1073863451.db2.gz VJPOTFVKXSKTFS-KRWDZBQOSA-N 1 1 423.539 0.620 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604906675 1073863868 /nfs/dbraw/zinc/86/38/68/1073863868.db2.gz VJPOTFVKXSKTFS-QGZVFWFLSA-N 1 1 423.539 0.620 20 0 HCADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604915529 1073870745 /nfs/dbraw/zinc/87/07/45/1073870745.db2.gz HSYSZKLPGRXHEM-KRWDZBQOSA-N 1 1 409.556 0.516 20 0 HCADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604915530 1073870761 /nfs/dbraw/zinc/87/07/61/1073870761.db2.gz HSYSZKLPGRXHEM-QGZVFWFLSA-N 1 1 409.556 0.516 20 0 HCADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604919266 1073871325 /nfs/dbraw/zinc/87/13/25/1073871325.db2.gz QGQYQKJSKJWASJ-KRWDZBQOSA-N 1 1 423.583 0.764 20 0 HCADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604919267 1073871278 /nfs/dbraw/zinc/87/12/78/1073871278.db2.gz QGQYQKJSKJWASJ-QGZVFWFLSA-N 1 1 423.583 0.764 20 0 HCADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000604919643 1073870875 /nfs/dbraw/zinc/87/08/75/1073870875.db2.gz IYWHNZBBLIESJY-UHFFFAOYSA-N 1 1 409.556 0.516 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000604969446 1073875508 /nfs/dbraw/zinc/87/55/08/1073875508.db2.gz FCHOUAOPQPILEG-GOSISDBHSA-N 1 1 400.479 0.624 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000604969447 1073875625 /nfs/dbraw/zinc/87/56/25/1073875625.db2.gz FCHOUAOPQPILEG-SFHVURJKSA-N 1 1 400.479 0.624 20 0 HCADMO CN(C(=O)CNC(=O)c1ccccc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000604976994 1073876268 /nfs/dbraw/zinc/87/62/68/1073876268.db2.gz PUBPYPFDEDURJV-UHFFFAOYSA-N 1 1 415.538 0.113 20 0 HCADMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@@H]1C ZINC000604983307 1073877066 /nfs/dbraw/zinc/87/70/66/1073877066.db2.gz CMITXYVZSXYIOR-JSGCOSHPSA-N 1 1 402.517 0.527 20 0 HCADMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@@H]1C ZINC000604983307 1073877064 /nfs/dbraw/zinc/87/70/64/1073877064.db2.gz CMITXYVZSXYIOR-JSGCOSHPSA-N 1 1 402.517 0.527 20 0 HCADMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@H]1C ZINC000604983308 1073877171 /nfs/dbraw/zinc/87/71/71/1073877171.db2.gz CMITXYVZSXYIOR-OCCSQVGLSA-N 1 1 402.517 0.527 20 0 HCADMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)C[C@H]1C ZINC000604983308 1073877170 /nfs/dbraw/zinc/87/71/70/1073877170.db2.gz CMITXYVZSXYIOR-OCCSQVGLSA-N 1 1 402.517 0.527 20 0 HCADMO CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@H+]1CCOC ZINC000604987056 1073877021 /nfs/dbraw/zinc/87/70/21/1073877021.db2.gz GBBCUNAFOUZMFL-DZGCQCFKSA-N 1 1 402.517 0.527 20 0 HCADMO CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC000604987056 1073877020 /nfs/dbraw/zinc/87/70/20/1073877020.db2.gz GBBCUNAFOUZMFL-DZGCQCFKSA-N 1 1 402.517 0.527 20 0 HCADMO CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@H+]1CCOC ZINC000604987057 1073877123 /nfs/dbraw/zinc/87/71/23/1073877123.db2.gz GBBCUNAFOUZMFL-ZFWWWQNUSA-N 1 1 402.517 0.527 20 0 HCADMO CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC000604987057 1073877121 /nfs/dbraw/zinc/87/71/21/1073877121.db2.gz GBBCUNAFOUZMFL-ZFWWWQNUSA-N 1 1 402.517 0.527 20 0 HCADMO CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCCO1 ZINC000604999344 1073878076 /nfs/dbraw/zinc/87/80/76/1073878076.db2.gz HWYIDDOOHSBBLE-IBGZPJMESA-N 1 1 417.506 0.998 20 0 HCADMO CC1(C)C[N@@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCCO1 ZINC000604999345 1073878163 /nfs/dbraw/zinc/87/81/63/1073878163.db2.gz HWYIDDOOHSBBLE-LJQANCHMSA-N 1 1 417.506 0.998 20 0 HCADMO CC1(C)CN(CC(=O)N2CCN(C(=O)C[N@H+]3CCCOC(C)(C)C3)CC2)CCCO1 ZINC000604999741 1073878058 /nfs/dbraw/zinc/87/80/58/1073878058.db2.gz LYDGKSJBXJYKCR-UHFFFAOYSA-N 1 1 424.586 0.659 20 0 HCADMO CC1(C)CN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCCOC(C)(C)C3)CC2)CCCO1 ZINC000604999741 1073878050 /nfs/dbraw/zinc/87/80/50/1073878050.db2.gz LYDGKSJBXJYKCR-UHFFFAOYSA-N 1 1 424.586 0.659 20 0 HCADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000605000077 1073878118 /nfs/dbraw/zinc/87/81/18/1073878118.db2.gz LIPKHFZGUBGGSY-UHFFFAOYSA-N 1 1 414.528 0.625 20 0 HCADMO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605022266 1073878999 /nfs/dbraw/zinc/87/89/99/1073878999.db2.gz COAJOMCIDYEKPV-MOPGFXCFSA-N 1 1 414.550 0.825 20 0 HCADMO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605022267 1073879106 /nfs/dbraw/zinc/87/91/06/1073879106.db2.gz COAJOMCIDYEKPV-OALUTQOASA-N 1 1 414.550 0.825 20 0 HCADMO C[C@H](C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000605022268 1073878920 /nfs/dbraw/zinc/87/89/20/1073878920.db2.gz COAJOMCIDYEKPV-RBUKOAKNSA-N 1 1 414.550 0.825 20 0 HCADMO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605022269 1073879076 /nfs/dbraw/zinc/87/90/76/1073879076.db2.gz COAJOMCIDYEKPV-RTBURBONSA-N 1 1 414.550 0.825 20 0 HCADMO COCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1C ZINC000605023250 1073879275 /nfs/dbraw/zinc/87/92/75/1073879275.db2.gz TXTPFSYCNWWHSA-CABCVRRESA-N 1 1 411.524 0.735 20 0 HCADMO COCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@H]1C ZINC000605023250 1073879274 /nfs/dbraw/zinc/87/92/74/1073879274.db2.gz TXTPFSYCNWWHSA-CABCVRRESA-N 1 1 411.524 0.735 20 0 HCADMO COCC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000605023251 1073879355 /nfs/dbraw/zinc/87/93/55/1073879355.db2.gz TXTPFSYCNWWHSA-GJZGRUSLSA-N 1 1 411.524 0.735 20 0 HCADMO COCC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C[C@@H]1C ZINC000605023251 1073879354 /nfs/dbraw/zinc/87/93/54/1073879354.db2.gz TXTPFSYCNWWHSA-GJZGRUSLSA-N 1 1 411.524 0.735 20 0 HCADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045859 1073881404 /nfs/dbraw/zinc/88/14/04/1073881404.db2.gz SWEQIVVXCIOHQF-KRWDZBQOSA-N 1 1 401.515 0.666 20 0 HCADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCc3nnc4ccccn43)CC2)C1 ZINC000605045860 1073881315 /nfs/dbraw/zinc/88/13/15/1073881315.db2.gz SWEQIVVXCIOHQF-QGZVFWFLSA-N 1 1 401.515 0.666 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[NH+]1CCN(C)CC1 ZINC000605062695 1073879654 /nfs/dbraw/zinc/87/96/54/1073879654.db2.gz ABQBALQCIVJTOZ-GOSISDBHSA-N 1 1 401.511 0.299 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[NH+]1CCN(C)CC1 ZINC000605062696 1073879727 /nfs/dbraw/zinc/87/97/27/1073879727.db2.gz ABQBALQCIVJTOZ-SFHVURJKSA-N 1 1 401.511 0.299 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[C@H](C)O1 ZINC000605062930 1073879559 /nfs/dbraw/zinc/87/95/59/1073879559.db2.gz IRXKYFGDSWRVFC-KBPBESRZSA-N 1 1 402.495 0.915 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[C@H](C)O1 ZINC000605062931 1073879641 /nfs/dbraw/zinc/87/96/41/1073879641.db2.gz IRXKYFGDSWRVFC-OKILXGFUSA-N 1 1 402.495 0.915 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[C@H](C)O1 ZINC000605062931 1073879639 /nfs/dbraw/zinc/87/96/39/1073879639.db2.gz IRXKYFGDSWRVFC-OKILXGFUSA-N 1 1 402.495 0.915 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[C@@H](C)O1 ZINC000605062932 1073879705 /nfs/dbraw/zinc/87/97/05/1073879705.db2.gz IRXKYFGDSWRVFC-ZIAGYGMSSA-N 1 1 402.495 0.915 20 0 HCADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000605063286 1073880010 /nfs/dbraw/zinc/88/00/10/1073880010.db2.gz YOUJOLGEABYNPD-LJQANCHMSA-N 1 1 422.485 0.446 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605063655 1073880035 /nfs/dbraw/zinc/88/00/35/1073880035.db2.gz QHPGHNJOTFNJKD-UHFFFAOYSA-N 1 1 415.494 0.018 20 0 HCADMO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000605064294 1073880248 /nfs/dbraw/zinc/88/02/48/1073880248.db2.gz VOYZFDNWBJGRES-KRWDZBQOSA-N 1 1 400.479 0.624 20 0 HCADMO O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000605064295 1073880374 /nfs/dbraw/zinc/88/03/74/1073880374.db2.gz VOYZFDNWBJGRES-QGZVFWFLSA-N 1 1 400.479 0.624 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065872 1073880630 /nfs/dbraw/zinc/88/06/30/1073880630.db2.gz JXPHTHXJIASEHT-GOSISDBHSA-N 1 1 413.522 0.540 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000605065873 1073880765 /nfs/dbraw/zinc/88/07/65/1073880765.db2.gz JXPHTHXJIASEHT-SFHVURJKSA-N 1 1 413.522 0.540 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCCOC(C)(C)C3)cc2)CC1 ZINC000605067596 1073881074 /nfs/dbraw/zinc/88/10/74/1073881074.db2.gz WRBBVJYTLSXAPH-UHFFFAOYSA-N 1 1 416.522 0.969 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H](O)CC(C)(C)C)cc2)CC1 ZINC000605071770 1073882011 /nfs/dbraw/zinc/88/20/11/1073882011.db2.gz OEBQEOFBDBSANK-GOSISDBHSA-N 1 1 418.538 0.855 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H](O)CC(C)(C)C)cc2)CC1 ZINC000605071771 1073882122 /nfs/dbraw/zinc/88/21/22/1073882122.db2.gz OEBQEOFBDBSANK-SFHVURJKSA-N 1 1 418.538 0.855 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)CC(C)(C)C)cc2)CC1 ZINC000605072120 1073882048 /nfs/dbraw/zinc/88/20/48/1073882048.db2.gz UZTROXLJIBPKSS-KRWDZBQOSA-N 1 1 404.511 0.926 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)CC(C)(C)C)cc2)CC1 ZINC000605072121 1073882093 /nfs/dbraw/zinc/88/20/93/1073882093.db2.gz UZTROXLJIBPKSS-QGZVFWFLSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC[N@H+]1CCOC ZINC000605072810 1073882115 /nfs/dbraw/zinc/88/21/15/1073882115.db2.gz QXFQOFWPHBAWFY-HNNXBMFYSA-N 1 1 412.512 0.102 20 0 HCADMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC[N@@H+]1CCOC ZINC000605072810 1073882114 /nfs/dbraw/zinc/88/21/14/1073882114.db2.gz QXFQOFWPHBAWFY-HNNXBMFYSA-N 1 1 412.512 0.102 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC[N@H+]1CCOC ZINC000605072811 1073882036 /nfs/dbraw/zinc/88/20/36/1073882036.db2.gz QXFQOFWPHBAWFY-OAHLLOKOSA-N 1 1 412.512 0.102 20 0 HCADMO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC[N@@H+]1CCOC ZINC000605072811 1073882035 /nfs/dbraw/zinc/88/20/35/1073882035.db2.gz QXFQOFWPHBAWFY-OAHLLOKOSA-N 1 1 412.512 0.102 20 0 HCADMO Cc1c(C(=O)Nc2ccn(CCC(N)=O)n2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000605100224 1073881798 /nfs/dbraw/zinc/88/17/98/1073881798.db2.gz SCMVUCKUJUKVOJ-UHFFFAOYSA-N 1 1 408.466 0.888 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1cccc(-n2cncn2)c1 ZINC000605114987 1073892409 /nfs/dbraw/zinc/89/24/09/1073892409.db2.gz MDXGKSRPTOGRIB-IBGZPJMESA-N 1 1 412.494 0.597 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1cccc(-n2cncn2)c1 ZINC000605115166 1073892355 /nfs/dbraw/zinc/89/23/55/1073892355.db2.gz MDXGKSRPTOGRIB-LJQANCHMSA-N 1 1 412.494 0.597 20 0 HCADMO C[C@H](Oc1cccnc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000605127202 1073884732 /nfs/dbraw/zinc/88/47/32/1073884732.db2.gz FXAUQSFSIPFBGI-KRWDZBQOSA-N 1 1 403.527 0.546 20 0 HCADMO C[C@@H](Oc1cccnc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000605127203 1073884842 /nfs/dbraw/zinc/88/48/42/1073884842.db2.gz FXAUQSFSIPFBGI-QGZVFWFLSA-N 1 1 403.527 0.546 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CCO1 ZINC000605131159 1073886337 /nfs/dbraw/zinc/88/63/37/1073886337.db2.gz GRTHTKQBEOKZGJ-KRWDZBQOSA-N 1 1 412.494 0.541 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CCO1 ZINC000605131160 1073886421 /nfs/dbraw/zinc/88/64/21/1073886421.db2.gz GRTHTKQBEOKZGJ-QGZVFWFLSA-N 1 1 412.494 0.541 20 0 HCADMO C[C@@H](C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000605133846 1073886782 /nfs/dbraw/zinc/88/67/82/1073886782.db2.gz BYDKRHXMEKHIHQ-KRWDZBQOSA-N 1 1 408.568 0.733 20 0 HCADMO C[C@H](C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000605133847 1073886730 /nfs/dbraw/zinc/88/67/30/1073886730.db2.gz BYDKRHXMEKHIHQ-QGZVFWFLSA-N 1 1 408.568 0.733 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1OC ZINC000605135355 1073887890 /nfs/dbraw/zinc/88/78/90/1073887890.db2.gz TWAULTAHAZCCCJ-AWEZNQCLSA-N 1 1 411.524 0.925 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1OC ZINC000605135356 1073887930 /nfs/dbraw/zinc/88/79/30/1073887930.db2.gz TWAULTAHAZCCCJ-CQSZACIVSA-N 1 1 411.524 0.925 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000605137077 1073888289 /nfs/dbraw/zinc/88/82/89/1073888289.db2.gz FTZWCZIRIOBRRU-INIZCTEOSA-N 1 1 417.535 0.811 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000605137078 1073888331 /nfs/dbraw/zinc/88/83/31/1073888331.db2.gz FTZWCZIRIOBRRU-MRXNPFEDSA-N 1 1 417.535 0.811 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000605137126 1073888300 /nfs/dbraw/zinc/88/83/00/1073888300.db2.gz JNQYUXQPPXHDCG-INIZCTEOSA-N 1 1 417.535 0.598 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000605137127 1073888339 /nfs/dbraw/zinc/88/83/39/1073888339.db2.gz JNQYUXQPPXHDCG-MRXNPFEDSA-N 1 1 417.535 0.598 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000605137414 1073890024 /nfs/dbraw/zinc/89/00/24/1073890024.db2.gz AEPITWPDCWIBBH-GOSISDBHSA-N 1 1 423.583 0.914 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000605137415 1073889850 /nfs/dbraw/zinc/88/98/50/1073889850.db2.gz AEPITWPDCWIBBH-SFHVURJKSA-N 1 1 423.583 0.914 20 0 HCADMO CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000605137458 1073889428 /nfs/dbraw/zinc/88/94/28/1073889428.db2.gz CIOBEEYVKZLQBH-INIZCTEOSA-N 1 1 416.526 0.819 20 0 HCADMO CCC1(CC)NC(=O)N(CC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000605137459 1073889535 /nfs/dbraw/zinc/88/95/35/1073889535.db2.gz CIOBEEYVKZLQBH-MRXNPFEDSA-N 1 1 416.526 0.819 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000605137522 1073889435 /nfs/dbraw/zinc/88/94/35/1073889435.db2.gz FWRIBHRZRPKHDT-INIZCTEOSA-N 1 1 416.526 0.819 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000605137523 1073889543 /nfs/dbraw/zinc/88/95/43/1073889543.db2.gz FWRIBHRZRPKHDT-MRXNPFEDSA-N 1 1 416.526 0.819 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000605137530 1073889510 /nfs/dbraw/zinc/88/95/10/1073889510.db2.gz GANATGJFVXIBIS-BTYIYWSLSA-N 1 1 414.510 0.429 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000605137531 1073889443 /nfs/dbraw/zinc/88/94/43/1073889443.db2.gz GANATGJFVXIBIS-QVKFZJNVSA-N 1 1 414.510 0.429 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000605137532 1073889468 /nfs/dbraw/zinc/88/94/68/1073889468.db2.gz GANATGJFVXIBIS-VFNWGFHPSA-N 1 1 414.510 0.429 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000605137533 1073889867 /nfs/dbraw/zinc/88/98/67/1073889867.db2.gz GANATGJFVXIBIS-YCRPNKLZSA-N 1 1 414.510 0.429 20 0 HCADMO CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605137582 1073889520 /nfs/dbraw/zinc/88/95/20/1073889520.db2.gz HWRJBAFPQDHTNK-KRWDZBQOSA-N 1 1 423.583 0.770 20 0 HCADMO CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605137583 1073889397 /nfs/dbraw/zinc/88/93/97/1073889397.db2.gz HWRJBAFPQDHTNK-QGZVFWFLSA-N 1 1 423.583 0.770 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000605137618 1073889529 /nfs/dbraw/zinc/88/95/29/1073889529.db2.gz JKYIEVBEZLPRRP-INIZCTEOSA-N 1 1 422.489 0.824 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000605137619 1073889420 /nfs/dbraw/zinc/88/94/20/1073889420.db2.gz JKYIEVBEZLPRRP-MRXNPFEDSA-N 1 1 422.489 0.824 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000605137652 1073889481 /nfs/dbraw/zinc/88/94/81/1073889481.db2.gz KUCXRPXZZRJYGY-INIZCTEOSA-N 1 1 414.510 0.573 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000605137653 1073889555 /nfs/dbraw/zinc/88/95/55/1073889555.db2.gz KUCXRPXZZRJYGY-MRXNPFEDSA-N 1 1 414.510 0.573 20 0 HCADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605137684 1073889492 /nfs/dbraw/zinc/88/94/92/1073889492.db2.gz MELPTTRMQHFPMK-INIZCTEOSA-N 1 1 417.535 0.978 20 0 HCADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605137685 1073889562 /nfs/dbraw/zinc/88/95/62/1073889562.db2.gz MELPTTRMQHFPMK-MRXNPFEDSA-N 1 1 417.535 0.978 20 0 HCADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605137795 1073889060 /nfs/dbraw/zinc/88/90/60/1073889060.db2.gz QZKGRJPYQJCOAH-QZTJIDSGSA-N 1 1 423.583 0.770 20 0 HCADMO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605137796 1073889115 /nfs/dbraw/zinc/88/91/15/1073889115.db2.gz QZKGRJPYQJCOAH-ROUUACIJSA-N 1 1 423.583 0.770 20 0 HCADMO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605137797 1073889009 /nfs/dbraw/zinc/88/90/09/1073889009.db2.gz QZKGRJPYQJCOAH-ZWKOTPCHSA-N 1 1 423.583 0.770 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000605137846 1073889031 /nfs/dbraw/zinc/88/90/31/1073889031.db2.gz SOLPZCCCYMCXAI-HNNXBMFYSA-N 1 1 423.564 0.748 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000605137847 1073889406 /nfs/dbraw/zinc/88/94/06/1073889406.db2.gz SOLPZCCCYMCXAI-OAHLLOKOSA-N 1 1 423.564 0.748 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000605137856 1073889574 /nfs/dbraw/zinc/88/95/74/1073889574.db2.gz SXWTUJSMNOOUOQ-KURKYZTESA-N 1 1 413.522 0.884 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000605137857 1073889461 /nfs/dbraw/zinc/88/94/61/1073889461.db2.gz SXWTUJSMNOOUOQ-KZNAEPCWSA-N 1 1 413.522 0.884 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000605137858 1073889500 /nfs/dbraw/zinc/88/95/00/1073889500.db2.gz SXWTUJSMNOOUOQ-OKZBNKHCSA-N 1 1 413.522 0.884 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000605137859 1073889455 /nfs/dbraw/zinc/88/94/55/1073889455.db2.gz SXWTUJSMNOOUOQ-SQNIBIBYSA-N 1 1 413.522 0.884 20 0 HCADMO COCCn1nc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1=O ZINC000605138027 1073889036 /nfs/dbraw/zinc/88/90/36/1073889036.db2.gz ACXQYKMLSPWAHZ-INIZCTEOSA-N 1 1 400.483 0.225 20 0 HCADMO COCCn1nc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1=O ZINC000605138028 1073888992 /nfs/dbraw/zinc/88/89/92/1073888992.db2.gz ACXQYKMLSPWAHZ-MRXNPFEDSA-N 1 1 400.483 0.225 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)COc1ccccc1 ZINC000605138081 1073889085 /nfs/dbraw/zinc/88/90/85/1073889085.db2.gz CVWJPVLFJDREAR-GOSISDBHSA-N 1 1 411.506 0.904 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)COc1ccccc1 ZINC000605138082 1073889123 /nfs/dbraw/zinc/88/91/23/1073889123.db2.gz CVWJPVLFJDREAR-SFHVURJKSA-N 1 1 411.506 0.904 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000605138171 1073889962 /nfs/dbraw/zinc/88/99/62/1073889962.db2.gz HCNUZLGAOHFFFW-HNNXBMFYSA-N 1 1 420.539 0.601 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000605138172 1073889886 /nfs/dbraw/zinc/88/98/86/1073889886.db2.gz HCNUZLGAOHFFFW-OAHLLOKOSA-N 1 1 420.539 0.601 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000605138323 1073889978 /nfs/dbraw/zinc/88/99/78/1073889978.db2.gz NKWCEOJUHVWVJV-INIZCTEOSA-N 1 1 417.535 0.930 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000605138324 1073889936 /nfs/dbraw/zinc/88/99/36/1073889936.db2.gz NKWCEOJUHVWVJV-MRXNPFEDSA-N 1 1 417.535 0.930 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605138391 1073889970 /nfs/dbraw/zinc/88/99/70/1073889970.db2.gz QGTZOHTVEKZKBR-HNNXBMFYSA-N 1 1 409.494 0.595 20 0 HCADMO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605138392 1073889874 /nfs/dbraw/zinc/88/98/74/1073889874.db2.gz QGTZOHTVEKZKBR-OAHLLOKOSA-N 1 1 409.494 0.595 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000605138517 1073890365 /nfs/dbraw/zinc/89/03/65/1073890365.db2.gz XCNLPXWQCSZNCI-AWEZNQCLSA-N 1 1 408.462 0.552 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000605138518 1073890320 /nfs/dbraw/zinc/89/03/20/1073890320.db2.gz XCNLPXWQCSZNCI-CQSZACIVSA-N 1 1 408.462 0.552 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000605138523 1073890244 /nfs/dbraw/zinc/89/02/44/1073890244.db2.gz XFFNMFNEZKZLET-HNNXBMFYSA-N 1 1 409.498 0.511 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CN(C)c1ncnc2nc[nH]c21 ZINC000605138524 1073890282 /nfs/dbraw/zinc/89/02/82/1073890282.db2.gz XFFNMFNEZKZLET-OAHLLOKOSA-N 1 1 409.498 0.511 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000605138681 1073890219 /nfs/dbraw/zinc/89/02/19/1073890219.db2.gz DNIOMAAMXFRQGC-INIZCTEOSA-N 1 1 409.556 0.380 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000605138682 1073890333 /nfs/dbraw/zinc/89/03/33/1073890333.db2.gz DNIOMAAMXFRQGC-MRXNPFEDSA-N 1 1 409.556 0.380 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000605138755 1073889900 /nfs/dbraw/zinc/88/99/00/1073889900.db2.gz HXZFJLLNJWALLL-FQWCMUAHSA-N 1 1 414.510 0.477 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000605138756 1073890355 /nfs/dbraw/zinc/89/03/55/1073890355.db2.gz HXZFJLLNJWALLL-IZINQKCZSA-N 1 1 414.510 0.477 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)NCc1ccco1 ZINC000605138757 1073890294 /nfs/dbraw/zinc/89/02/94/1073890294.db2.gz HYIZLAKYTKUYEF-INIZCTEOSA-N 1 1 400.483 0.801 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CNC(=O)NCc1ccco1 ZINC000605138758 1073890403 /nfs/dbraw/zinc/89/04/03/1073890403.db2.gz HYIZLAKYTKUYEF-MRXNPFEDSA-N 1 1 400.483 0.801 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000605138833 1073890391 /nfs/dbraw/zinc/89/03/91/1073890391.db2.gz KLZOORRMYFWHTK-AWEZNQCLSA-N 1 1 423.564 0.660 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC000605138834 1073890379 /nfs/dbraw/zinc/89/03/79/1073890379.db2.gz KLZOORRMYFWHTK-CQSZACIVSA-N 1 1 423.564 0.660 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000605138845 1073890309 /nfs/dbraw/zinc/89/03/09/1073890309.db2.gz KYUADYIERQPUDV-AWEZNQCLSA-N 1 1 411.470 0.509 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000605138846 1073890233 /nfs/dbraw/zinc/89/02/33/1073890233.db2.gz KYUADYIERQPUDV-CQSZACIVSA-N 1 1 411.470 0.509 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000605138963 1073890009 /nfs/dbraw/zinc/89/00/09/1073890009.db2.gz QWZKUTBOURASEZ-INIZCTEOSA-N 1 1 407.478 0.513 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Cn1nnc2ccccc2c1=O ZINC000605138964 1073890001 /nfs/dbraw/zinc/89/00/01/1073890001.db2.gz QWZKUTBOURASEZ-MRXNPFEDSA-N 1 1 407.478 0.513 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000605139047 1073889916 /nfs/dbraw/zinc/88/99/16/1073889916.db2.gz VARYLOICIXQFDF-DLBZAZTESA-N 1 1 409.556 0.522 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000605139048 1073890032 /nfs/dbraw/zinc/89/00/32/1073890032.db2.gz VARYLOICIXQFDF-IAGOWNOFSA-N 1 1 409.556 0.522 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000605139049 1073889926 /nfs/dbraw/zinc/88/99/26/1073889926.db2.gz VARYLOICIXQFDF-IRXDYDNUSA-N 1 1 409.556 0.522 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000605139050 1073889944 /nfs/dbraw/zinc/88/99/44/1073889944.db2.gz VARYLOICIXQFDF-SJORKVTESA-N 1 1 409.556 0.522 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000605151796 1073899549 /nfs/dbraw/zinc/89/95/49/1073899549.db2.gz GAYXRMHBSFLYOD-KRWDZBQOSA-N 1 1 414.384 0.365 20 0 HCADMO Cn1c(N)c(C(=O)C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000605151797 1073899470 /nfs/dbraw/zinc/89/94/70/1073899470.db2.gz GAYXRMHBSFLYOD-QGZVFWFLSA-N 1 1 414.384 0.365 20 0 HCADMO CC(=O)NC[C@H]1CN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCO1 ZINC000605152768 1073899927 /nfs/dbraw/zinc/89/99/27/1073899927.db2.gz VGVPGMFOFSLWGB-NRFANRHFSA-N 1 1 402.539 0.866 20 0 HCADMO CC(=O)NC[C@@H]1CN(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CCO1 ZINC000605152769 1073899849 /nfs/dbraw/zinc/89/98/49/1073899849.db2.gz VGVPGMFOFSLWGB-OAQYLSRUSA-N 1 1 402.539 0.866 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605156700 1073900926 /nfs/dbraw/zinc/90/09/26/1073900926.db2.gz QBXANRRORIBLKK-FQEVSTJZSA-N 1 1 417.554 0.381 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605156701 1073901252 /nfs/dbraw/zinc/90/12/52/1073901252.db2.gz QBXANRRORIBLKK-HXUWFJFHSA-N 1 1 417.554 0.381 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCO1 ZINC000605166736 1073894064 /nfs/dbraw/zinc/89/40/64/1073894064.db2.gz QSPHTHFOLXKCFT-MSOLQXFVSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCO1 ZINC000605166736 1073894058 /nfs/dbraw/zinc/89/40/58/1073894058.db2.gz QSPHTHFOLXKCFT-MSOLQXFVSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCO1 ZINC000605166737 1073894214 /nfs/dbraw/zinc/89/42/14/1073894214.db2.gz QSPHTHFOLXKCFT-QZTJIDSGSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCO1 ZINC000605166737 1073894211 /nfs/dbraw/zinc/89/42/11/1073894211.db2.gz QSPHTHFOLXKCFT-QZTJIDSGSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCO1 ZINC000605166738 1073894154 /nfs/dbraw/zinc/89/41/54/1073894154.db2.gz QSPHTHFOLXKCFT-ROUUACIJSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCO1 ZINC000605166738 1073894152 /nfs/dbraw/zinc/89/41/52/1073894152.db2.gz QSPHTHFOLXKCFT-ROUUACIJSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCO1 ZINC000605166739 1073894231 /nfs/dbraw/zinc/89/42/31/1073894231.db2.gz QSPHTHFOLXKCFT-ZWKOTPCHSA-N 1 1 403.483 0.505 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCO1 ZINC000605166739 1073894223 /nfs/dbraw/zinc/89/42/23/1073894223.db2.gz QSPHTHFOLXKCFT-ZWKOTPCHSA-N 1 1 403.483 0.505 20 0 HCADMO CC(C)[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+]1CCOCC1 ZINC000605169356 1073894721 /nfs/dbraw/zinc/89/47/21/1073894721.db2.gz GTZAUCLJUGMRKG-IBGZPJMESA-N 1 1 403.527 0.974 20 0 HCADMO CC(C)[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+]1CCOCC1 ZINC000605169357 1073894633 /nfs/dbraw/zinc/89/46/33/1073894633.db2.gz GTZAUCLJUGMRKG-LJQANCHMSA-N 1 1 403.527 0.974 20 0 HCADMO Cn1cc(N2CC[C@H](NC(=O)NCc3cccc(C[NH+]4CCOCC4)c3)C2=O)cn1 ZINC000605171037 1073894699 /nfs/dbraw/zinc/89/46/99/1073894699.db2.gz AXHGZNBBFIAHKI-IBGZPJMESA-N 1 1 412.494 0.857 20 0 HCADMO Cn1cc(N2CC[C@@H](NC(=O)NCc3cccc(C[NH+]4CCOCC4)c3)C2=O)cn1 ZINC000605171038 1073894660 /nfs/dbraw/zinc/89/46/60/1073894660.db2.gz AXHGZNBBFIAHKI-LJQANCHMSA-N 1 1 412.494 0.857 20 0 HCADMO Cn1cc(N2CC[C@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cn1 ZINC000605171785 1073895115 /nfs/dbraw/zinc/89/51/15/1073895115.db2.gz NOQWJZIEKXVKIS-IBGZPJMESA-N 1 1 411.510 0.647 20 0 HCADMO Cn1cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)C2=O)cn1 ZINC000605171786 1073895067 /nfs/dbraw/zinc/89/50/67/1073895067.db2.gz NOQWJZIEKXVKIS-LJQANCHMSA-N 1 1 411.510 0.647 20 0 HCADMO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000605174072 1073896024 /nfs/dbraw/zinc/89/60/24/1073896024.db2.gz KFVARRSDXVHBQE-KRWDZBQOSA-N 1 1 416.526 0.205 20 0 HCADMO NC(=O)c1ccc(N2CCN(C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000605174073 1073896129 /nfs/dbraw/zinc/89/61/29/1073896129.db2.gz KFVARRSDXVHBQE-QGZVFWFLSA-N 1 1 416.526 0.205 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605174396 1073896544 /nfs/dbraw/zinc/89/65/44/1073896544.db2.gz ZXCXQDYASRUESW-UHFFFAOYSA-N 1 1 412.556 0.858 20 0 HCADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605175164 1073896092 /nfs/dbraw/zinc/89/60/92/1073896092.db2.gz GGMMNTALZDHYOB-IBGZPJMESA-N 1 1 423.583 0.526 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605175165 1073895975 /nfs/dbraw/zinc/89/59/75/1073895975.db2.gz GGMMNTALZDHYOB-LJQANCHMSA-N 1 1 423.583 0.526 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000605176070 1073896642 /nfs/dbraw/zinc/89/66/42/1073896642.db2.gz UASGIHRADGFYBQ-BPQIPLTHSA-N 1 1 406.531 0.962 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@H](C)C1 ZINC000605176071 1073896497 /nfs/dbraw/zinc/89/64/97/1073896497.db2.gz UASGIHRADGFYBQ-NJAFHUGGSA-N 1 1 406.531 0.962 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000605176072 1073896583 /nfs/dbraw/zinc/89/65/83/1073896583.db2.gz UASGIHRADGFYBQ-RYQLBKOJSA-N 1 1 406.531 0.962 20 0 HCADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000605176073 1073896688 /nfs/dbraw/zinc/89/66/88/1073896688.db2.gz UASGIHRADGFYBQ-SZMVWBNQSA-N 1 1 406.531 0.962 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000605176591 1073897143 /nfs/dbraw/zinc/89/71/43/1073897143.db2.gz NFICYABRMDKCLO-KRWDZBQOSA-N 1 1 404.515 0.140 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCC(=O)N1CCOCC1 ZINC000605176592 1073897547 /nfs/dbraw/zinc/89/75/47/1073897547.db2.gz NFICYABRMDKCLO-QGZVFWFLSA-N 1 1 404.515 0.140 20 0 HCADMO CCNC(=O)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605176606 1073897555 /nfs/dbraw/zinc/89/75/55/1073897555.db2.gz NNUNTPOLYPIKBZ-GOSISDBHSA-N 1 1 417.558 0.055 20 0 HCADMO CCNC(=O)CN1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605176607 1073897656 /nfs/dbraw/zinc/89/76/56/1073897656.db2.gz NNUNTPOLYPIKBZ-SFHVURJKSA-N 1 1 417.558 0.055 20 0 HCADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605176726 1073897045 /nfs/dbraw/zinc/89/70/45/1073897045.db2.gz QGIZLEULCKJHMC-MSOLQXFVSA-N 1 1 417.558 0.231 20 0 HCADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605176727 1073897112 /nfs/dbraw/zinc/89/71/12/1073897112.db2.gz QGIZLEULCKJHMC-QZTJIDSGSA-N 1 1 417.558 0.231 20 0 HCADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000605176728 1073897005 /nfs/dbraw/zinc/89/70/05/1073897005.db2.gz QGIZLEULCKJHMC-ROUUACIJSA-N 1 1 417.558 0.231 20 0 HCADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000605176729 1073897097 /nfs/dbraw/zinc/89/70/97/1073897097.db2.gz QGIZLEULCKJHMC-ZWKOTPCHSA-N 1 1 417.558 0.231 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000605176935 1073897079 /nfs/dbraw/zinc/89/70/79/1073897079.db2.gz YSPRCPCKQACJRJ-KRWDZBQOSA-N 1 1 400.527 0.856 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000605176936 1073897136 /nfs/dbraw/zinc/89/71/36/1073897136.db2.gz YSPRCPCKQACJRJ-QGZVFWFLSA-N 1 1 400.527 0.856 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN(C)S(C)(=O)=O ZINC000605176945 1073897086 /nfs/dbraw/zinc/89/70/86/1073897086.db2.gz ZFOJNIYXBZNOBE-INIZCTEOSA-N 1 1 412.560 0.173 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN(C)S(C)(=O)=O ZINC000605176946 1073897165 /nfs/dbraw/zinc/89/71/65/1073897165.db2.gz ZFOJNIYXBZNOBE-MRXNPFEDSA-N 1 1 412.560 0.173 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000605177106 1073897029 /nfs/dbraw/zinc/89/70/29/1073897029.db2.gz DAGOBYDJUPNYLX-HNNXBMFYSA-N 1 1 412.560 0.219 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000605177107 1073897157 /nfs/dbraw/zinc/89/71/57/1073897157.db2.gz DAGOBYDJUPNYLX-OAHLLOKOSA-N 1 1 412.560 0.219 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1ccco1 ZINC000605177138 1073897128 /nfs/dbraw/zinc/89/71/28/1073897128.db2.gz DSIDEBZLPIKSRL-INIZCTEOSA-N 1 1 400.483 0.914 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1ccco1 ZINC000605177139 1073897061 /nfs/dbraw/zinc/89/70/61/1073897061.db2.gz DSIDEBZLPIKSRL-MRXNPFEDSA-N 1 1 400.483 0.914 20 0 HCADMO CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605177246 1073897595 /nfs/dbraw/zinc/89/75/95/1073897595.db2.gz IOGZDSSKKFYAHL-INIZCTEOSA-N 1 1 412.560 0.219 20 0 HCADMO CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605177247 1073897635 /nfs/dbraw/zinc/89/76/35/1073897635.db2.gz IOGZDSSKKFYAHL-MRXNPFEDSA-N 1 1 412.560 0.219 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000605177256 1073897536 /nfs/dbraw/zinc/89/75/36/1073897536.db2.gz JFQAZHGMQLGWTB-DLBZAZTESA-N 1 1 424.571 0.315 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000605177257 1073897614 /nfs/dbraw/zinc/89/76/14/1073897614.db2.gz JFQAZHGMQLGWTB-IAGOWNOFSA-N 1 1 424.571 0.315 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000605177258 1073897562 /nfs/dbraw/zinc/89/75/62/1073897562.db2.gz JFQAZHGMQLGWTB-IRXDYDNUSA-N 1 1 424.571 0.315 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000605177259 1073897665 /nfs/dbraw/zinc/89/76/65/1073897665.db2.gz JFQAZHGMQLGWTB-SJORKVTESA-N 1 1 424.571 0.315 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000605177300 1073898137 /nfs/dbraw/zinc/89/81/37/1073898137.db2.gz KDMDNEQUUURMIQ-KRWDZBQOSA-N 1 1 424.571 0.269 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000605177301 1073897965 /nfs/dbraw/zinc/89/79/65/1073897965.db2.gz KDMDNEQUUURMIQ-QGZVFWFLSA-N 1 1 424.571 0.269 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 ZINC000605177492 1073898129 /nfs/dbraw/zinc/89/81/29/1073898129.db2.gz PNTSAFNIGUBPDD-KRWDZBQOSA-N 1 1 417.558 0.102 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 ZINC000605177493 1073897951 /nfs/dbraw/zinc/89/79/51/1073897951.db2.gz PNTSAFNIGUBPDD-QGZVFWFLSA-N 1 1 417.558 0.102 20 0 HCADMO COCC(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605177752 1073897980 /nfs/dbraw/zinc/89/79/80/1073897980.db2.gz XATJVUUKIADTOZ-KRWDZBQOSA-N 1 1 404.515 0.092 20 0 HCADMO COCC(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605177753 1073898119 /nfs/dbraw/zinc/89/81/19/1073898119.db2.gz XATJVUUKIADTOZ-QGZVFWFLSA-N 1 1 404.515 0.092 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605177968 1073897991 /nfs/dbraw/zinc/89/79/91/1073897991.db2.gz DNABURRTSSBMDF-INIZCTEOSA-N 1 1 412.560 0.221 20 0 HCADMO CCS(=O)(=O)NCCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000605177969 1073898100 /nfs/dbraw/zinc/89/81/00/1073898100.db2.gz DNABURRTSSBMDF-MRXNPFEDSA-N 1 1 412.560 0.221 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1cnccn1 ZINC000605177984 1073898144 /nfs/dbraw/zinc/89/81/44/1073898144.db2.gz FHDHLXPNBLHKCL-INIZCTEOSA-N 1 1 412.498 0.111 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1cnccn1 ZINC000605177985 1073898083 /nfs/dbraw/zinc/89/80/83/1073898083.db2.gz FHDHLXPNBLHKCL-MRXNPFEDSA-N 1 1 412.498 0.111 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1C(=O)CCC1=O ZINC000605178004 1073898016 /nfs/dbraw/zinc/89/80/16/1073898016.db2.gz FRTJBSVSFPBHLN-INIZCTEOSA-N 1 1 402.499 0.430 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1C(=O)CCC1=O ZINC000605178005 1073898109 /nfs/dbraw/zinc/89/81/09/1073898109.db2.gz FRTJBSVSFPBHLN-MRXNPFEDSA-N 1 1 402.499 0.430 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1cccnc1 ZINC000605178092 1073897588 /nfs/dbraw/zinc/89/75/88/1073897588.db2.gz IXYKBWKKEXXUEG-KRWDZBQOSA-N 1 1 411.510 0.716 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCNC(=O)c1cccnc1 ZINC000605178093 1073898028 /nfs/dbraw/zinc/89/80/28/1073898028.db2.gz IXYKBWKKEXXUEG-QGZVFWFLSA-N 1 1 411.510 0.716 20 0 HCADMO COCC(=O)NC1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605178106 1073898163 /nfs/dbraw/zinc/89/81/63/1073898163.db2.gz JHPITJVDMOHQRT-KRWDZBQOSA-N 1 1 418.542 0.529 20 0 HCADMO COCC(=O)NC1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605178107 1073898041 /nfs/dbraw/zinc/89/80/41/1073898041.db2.gz JHPITJVDMOHQRT-QGZVFWFLSA-N 1 1 418.542 0.529 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605178428 1073898151 /nfs/dbraw/zinc/89/81/51/1073898151.db2.gz UDOOUHCZZKBRLQ-DLBZAZTESA-N 1 1 424.571 0.315 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605178429 1073898054 /nfs/dbraw/zinc/89/80/54/1073898054.db2.gz UDOOUHCZZKBRLQ-IAGOWNOFSA-N 1 1 424.571 0.315 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605178430 1073898571 /nfs/dbraw/zinc/89/85/71/1073898571.db2.gz UDOOUHCZZKBRLQ-IRXDYDNUSA-N 1 1 424.571 0.315 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000605178431 1073898508 /nfs/dbraw/zinc/89/85/08/1073898508.db2.gz UDOOUHCZZKBRLQ-SJORKVTESA-N 1 1 424.571 0.315 20 0 HCADMO COCC(=O)N1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605178608 1073898005 /nfs/dbraw/zinc/89/80/05/1073898005.db2.gz YVAOJVAVBSVMRK-KRWDZBQOSA-N 1 1 418.542 0.529 20 0 HCADMO COCC(=O)N1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605178609 1073898092 /nfs/dbraw/zinc/89/80/92/1073898092.db2.gz YVAOJVAVBSVMRK-QGZVFWFLSA-N 1 1 418.542 0.529 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000605180145 1073898458 /nfs/dbraw/zinc/89/84/58/1073898458.db2.gz MQAFXSZABHVFJS-IBGZPJMESA-N 1 1 408.568 0.902 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000605180146 1073898522 /nfs/dbraw/zinc/89/85/22/1073898522.db2.gz MQAFXSZABHVFJS-LJQANCHMSA-N 1 1 408.568 0.902 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000605185566 1073909029 /nfs/dbraw/zinc/90/90/29/1073909029.db2.gz DTSDVJBWYZQDQL-INIZCTEOSA-N 1 1 417.535 0.811 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000605185567 1073908931 /nfs/dbraw/zinc/90/89/31/1073908931.db2.gz DTSDVJBWYZQDQL-MRXNPFEDSA-N 1 1 417.535 0.811 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000605185632 1073908946 /nfs/dbraw/zinc/90/89/46/1073908946.db2.gz JJBSJMNVUBSOCX-AWEZNQCLSA-N 1 1 406.512 0.008 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000605185633 1073909013 /nfs/dbraw/zinc/90/90/13/1073909013.db2.gz JJBSJMNVUBSOCX-CQSZACIVSA-N 1 1 406.512 0.008 20 0 HCADMO O=C(C[N@H+](CCO)CCCO)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000605186861 1073909754 /nfs/dbraw/zinc/90/97/54/1073909754.db2.gz AXKPDKLJOPMRPZ-UHFFFAOYSA-N 1 1 420.373 0.832 20 0 HCADMO O=C(C[N@@H+](CCO)CCCO)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000605186861 1073909752 /nfs/dbraw/zinc/90/97/52/1073909752.db2.gz AXKPDKLJOPMRPZ-UHFFFAOYSA-N 1 1 420.373 0.832 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000605196332 1073911555 /nfs/dbraw/zinc/91/15/55/1073911555.db2.gz FCIKKHQLCWGYDF-IBGZPJMESA-N 1 1 417.510 0.833 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000605196333 1073911762 /nfs/dbraw/zinc/91/17/62/1073911762.db2.gz FCIKKHQLCWGYDF-LJQANCHMSA-N 1 1 417.510 0.833 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000605197504 1073903460 /nfs/dbraw/zinc/90/34/60/1073903460.db2.gz RFMYTNKUYWWOMD-INIZCTEOSA-N 1 1 414.514 0.699 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000605197505 1073902515 /nfs/dbraw/zinc/90/25/15/1073902515.db2.gz RFMYTNKUYWWOMD-MRXNPFEDSA-N 1 1 414.514 0.699 20 0 HCADMO CS(=O)(=O)NCc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000605208116 1073903396 /nfs/dbraw/zinc/90/33/96/1073903396.db2.gz IIPWEJLDBBWESZ-HNNXBMFYSA-N 1 1 411.528 0.445 20 0 HCADMO CS(=O)(=O)NCc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000605208117 1073903213 /nfs/dbraw/zinc/90/32/13/1073903213.db2.gz IIPWEJLDBBWESZ-OAHLLOKOSA-N 1 1 411.528 0.445 20 0 HCADMO COCCNS(=O)(=O)c1cccc(CNC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000605213819 1073904002 /nfs/dbraw/zinc/90/40/02/1073904002.db2.gz DJLQYOKDJNIMQG-UHFFFAOYSA-N 1 1 414.528 0.133 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215579 1073904668 /nfs/dbraw/zinc/90/46/68/1073904668.db2.gz JQWBGSACNYIPLY-IBGZPJMESA-N 1 1 403.527 0.974 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC000605215580 1073904767 /nfs/dbraw/zinc/90/47/67/1073904767.db2.gz JQWBGSACNYIPLY-LJQANCHMSA-N 1 1 403.527 0.974 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000605217099 1073904905 /nfs/dbraw/zinc/90/49/05/1073904905.db2.gz ABWUKGCQIZDCIR-UHFFFAOYSA-N 1 1 402.543 0.643 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCO1 ZINC000605218122 1073905587 /nfs/dbraw/zinc/90/55/87/1073905587.db2.gz GJGTXMHECBBWGB-FQEVSTJZSA-N 1 1 403.527 0.481 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCO1 ZINC000605218123 1073905419 /nfs/dbraw/zinc/90/54/19/1073905419.db2.gz GJGTXMHECBBWGB-HXUWFJFHSA-N 1 1 403.527 0.481 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000605218301 1073906329 /nfs/dbraw/zinc/90/63/29/1073906329.db2.gz SKLZXLRALKJWBF-IBGZPJMESA-N 1 1 417.510 0.121 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000605218302 1073906206 /nfs/dbraw/zinc/90/62/06/1073906206.db2.gz SKLZXLRALKJWBF-LJQANCHMSA-N 1 1 417.510 0.121 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000605218690 1073906234 /nfs/dbraw/zinc/90/62/34/1073906234.db2.gz KZXWGRBDUCADQK-NRFANRHFSA-N 1 1 417.554 0.871 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC000605218967 1073906078 /nfs/dbraw/zinc/90/60/78/1073906078.db2.gz XQMCMFBSQBRZLT-NRFANRHFSA-N 1 1 417.554 0.871 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC000605218968 1073906272 /nfs/dbraw/zinc/90/62/72/1073906272.db2.gz XQMCMFBSQBRZLT-OAQYLSRUSA-N 1 1 417.554 0.871 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219633 1073906880 /nfs/dbraw/zinc/90/68/80/1073906880.db2.gz ZDNJMOLUTIAHOF-FXAWDEMLSA-N 1 1 403.527 0.744 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219634 1073907026 /nfs/dbraw/zinc/90/70/26/1073907026.db2.gz ZDNJMOLUTIAHOF-PXNSSMCTSA-N 1 1 403.527 0.744 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219635 1073906763 /nfs/dbraw/zinc/90/67/63/1073906763.db2.gz ZDNJMOLUTIAHOF-XLIONFOSSA-N 1 1 403.527 0.744 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000605219636 1073906722 /nfs/dbraw/zinc/90/67/22/1073906722.db2.gz ZDNJMOLUTIAHOF-YLJYHZDGSA-N 1 1 403.527 0.744 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000605223195 1073907627 /nfs/dbraw/zinc/90/76/27/1073907627.db2.gz UNPRUHXIPDQUNC-JXFKEZNVSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000605223195 1073907622 /nfs/dbraw/zinc/90/76/22/1073907622.db2.gz UNPRUHXIPDQUNC-JXFKEZNVSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000605223196 1073907682 /nfs/dbraw/zinc/90/76/82/1073907682.db2.gz UNPRUHXIPDQUNC-OXJNMPFZSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000605223196 1073907678 /nfs/dbraw/zinc/90/76/78/1073907678.db2.gz UNPRUHXIPDQUNC-OXJNMPFZSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCO1 ZINC000605223197 1073907610 /nfs/dbraw/zinc/90/76/10/1073907610.db2.gz UNPRUHXIPDQUNC-OXQOHEQNSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCO1 ZINC000605223197 1073907605 /nfs/dbraw/zinc/90/76/05/1073907605.db2.gz UNPRUHXIPDQUNC-OXQOHEQNSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCO1 ZINC000605223198 1073907655 /nfs/dbraw/zinc/90/76/55/1073907655.db2.gz UNPRUHXIPDQUNC-UZLBHIALSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCO1 ZINC000605223198 1073907650 /nfs/dbraw/zinc/90/76/50/1073907650.db2.gz UNPRUHXIPDQUNC-UZLBHIALSA-N 1 1 404.511 0.954 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000605225225 1073936537 /nfs/dbraw/zinc/93/65/37/1073936537.db2.gz YUXTYUITJSUJHA-IBGZPJMESA-N 1 1 404.515 0.140 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000605225226 1073936685 /nfs/dbraw/zinc/93/66/85/1073936685.db2.gz YUXTYUITJSUJHA-LJQANCHMSA-N 1 1 404.515 0.140 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000605225858 1073936565 /nfs/dbraw/zinc/93/65/65/1073936565.db2.gz FKRQMKVVEOQXLN-KRWDZBQOSA-N 1 1 424.571 0.317 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000605225859 1073936832 /nfs/dbraw/zinc/93/68/32/1073936832.db2.gz FKRQMKVVEOQXLN-QGZVFWFLSA-N 1 1 424.571 0.317 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000605228285 1073937553 /nfs/dbraw/zinc/93/75/53/1073937553.db2.gz APMGOBYTMPGOQM-UHFFFAOYSA-N 1 1 416.526 0.170 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229461 1073937381 /nfs/dbraw/zinc/93/73/81/1073937381.db2.gz BTDBPPYAQOGHNZ-GOSISDBHSA-N 1 1 414.554 0.786 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229461 1073937370 /nfs/dbraw/zinc/93/73/70/1073937370.db2.gz BTDBPPYAQOGHNZ-GOSISDBHSA-N 1 1 414.554 0.786 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229462 1073937240 /nfs/dbraw/zinc/93/72/40/1073937240.db2.gz BTDBPPYAQOGHNZ-SFHVURJKSA-N 1 1 414.554 0.786 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)C2)CC1 ZINC000605229462 1073937232 /nfs/dbraw/zinc/93/72/32/1073937232.db2.gz BTDBPPYAQOGHNZ-SFHVURJKSA-N 1 1 414.554 0.786 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)NCc1cccc(-n2cncn2)c1 ZINC000605229666 1073937268 /nfs/dbraw/zinc/93/72/68/1073937268.db2.gz LGDQJOHRLHJPSZ-UHFFFAOYSA-N 1 1 401.515 0.457 20 0 HCADMO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2=O)cn1 ZINC000605231380 1073939525 /nfs/dbraw/zinc/93/95/25/1073939525.db2.gz QSLQKZDOEOZDKH-AEFFLSMTSA-N 1 1 403.531 0.337 20 0 HCADMO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2=O)cn1 ZINC000605231381 1073939738 /nfs/dbraw/zinc/93/97/38/1073939738.db2.gz QSLQKZDOEOZDKH-FUHWJXTLSA-N 1 1 403.531 0.337 20 0 HCADMO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)C2=O)cn1 ZINC000605231382 1073940633 /nfs/dbraw/zinc/94/06/33/1073940633.db2.gz QSLQKZDOEOZDKH-SJLPKXTDSA-N 1 1 403.531 0.337 20 0 HCADMO Cn1cc(N2CC[C@H](NC(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)C2=O)cn1 ZINC000605231383 1073940315 /nfs/dbraw/zinc/94/03/15/1073940315.db2.gz QSLQKZDOEOZDKH-WMZOPIPTSA-N 1 1 403.531 0.337 20 0 HCADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000605231388 1073940605 /nfs/dbraw/zinc/94/06/05/1073940605.db2.gz QYFOKVHQIWDHCA-CBZIJGRNSA-N 1 1 404.515 0.809 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000605231389 1073940357 /nfs/dbraw/zinc/94/03/57/1073940357.db2.gz QYFOKVHQIWDHCA-DFGXFYAUSA-N 1 1 404.515 0.809 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000605231389 1073940352 /nfs/dbraw/zinc/94/03/52/1073940352.db2.gz QYFOKVHQIWDHCA-DFGXFYAUSA-N 1 1 404.515 0.809 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000605231390 1073940410 /nfs/dbraw/zinc/94/04/10/1073940410.db2.gz QYFOKVHQIWDHCA-UIBIWLFHSA-N 1 1 404.515 0.809 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000605231390 1073940401 /nfs/dbraw/zinc/94/04/01/1073940401.db2.gz QYFOKVHQIWDHCA-UIBIWLFHSA-N 1 1 404.515 0.809 20 0 HCADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H](C)O1 ZINC000605231391 1073940582 /nfs/dbraw/zinc/94/05/82/1073940582.db2.gz QYFOKVHQIWDHCA-XLMAVXFVSA-N 1 1 404.515 0.809 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605231830 1073939798 /nfs/dbraw/zinc/93/97/98/1073939798.db2.gz OUVLTYNWEVHXCA-KRWDZBQOSA-N 1 1 419.530 0.111 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000605231830 1073939789 /nfs/dbraw/zinc/93/97/89/1073939789.db2.gz OUVLTYNWEVHXCA-KRWDZBQOSA-N 1 1 419.530 0.111 20 0 HCADMO COCC[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000605232094 1073939065 /nfs/dbraw/zinc/93/90/65/1073939065.db2.gz IAJPAHUHYGMJMC-UHFFFAOYSA-N 1 1 424.567 0.954 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000605233260 1073940442 /nfs/dbraw/zinc/94/04/42/1073940442.db2.gz CQHLQQICKAORCT-AEFFLSMTSA-N 1 1 404.515 0.139 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000605233261 1073940531 /nfs/dbraw/zinc/94/05/31/1073940531.db2.gz CQHLQQICKAORCT-FUHWJXTLSA-N 1 1 404.515 0.139 20 0 HCADMO CC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000605233262 1073940654 /nfs/dbraw/zinc/94/06/54/1073940654.db2.gz CQHLQQICKAORCT-SJLPKXTDSA-N 1 1 404.515 0.139 20 0 HCADMO CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000605233263 1073940499 /nfs/dbraw/zinc/94/04/99/1073940499.db2.gz CQHLQQICKAORCT-WMZOPIPTSA-N 1 1 404.515 0.139 20 0 HCADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000605233457 1073941230 /nfs/dbraw/zinc/94/12/30/1073941230.db2.gz LHSTZRNKARGOKE-KRWDZBQOSA-N 1 1 410.540 0.895 20 0 HCADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000605233458 1073941073 /nfs/dbraw/zinc/94/10/73/1073941073.db2.gz LHSTZRNKARGOKE-QGZVFWFLSA-N 1 1 410.540 0.895 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605234008 1073941114 /nfs/dbraw/zinc/94/11/14/1073941114.db2.gz IBYFMKYKVFUEFM-KRWDZBQOSA-N 1 1 424.571 0.269 20 0 HCADMO CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000605234009 1073941413 /nfs/dbraw/zinc/94/14/13/1073941413.db2.gz IBYFMKYKVFUEFM-QGZVFWFLSA-N 1 1 424.571 0.269 20 0 HCADMO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000605239841 1073912657 /nfs/dbraw/zinc/91/26/57/1073912657.db2.gz ZJZWTUOJJNILMT-UHFFFAOYSA-N 1 1 403.527 0.861 20 0 HCADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239895 1073912635 /nfs/dbraw/zinc/91/26/35/1073912635.db2.gz CVHKIOVOODDIGH-HNNXBMFYSA-N 1 1 421.523 0.696 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000605239896 1073912507 /nfs/dbraw/zinc/91/25/07/1073912507.db2.gz CVHKIOVOODDIGH-OAHLLOKOSA-N 1 1 421.523 0.696 20 0 HCADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000605239914 1073912730 /nfs/dbraw/zinc/91/27/30/1073912730.db2.gz FMRVQBJRYCIRPT-AWEZNQCLSA-N 1 1 412.487 0.905 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 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TYBNSLMSXAVXNM-MRXNPFEDSA-N 1 1 401.508 0.867 20 0 HCADMO CCc1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1S(N)(=O)=O ZINC000605342789 1073958536 /nfs/dbraw/zinc/95/85/36/1073958536.db2.gz SBNKJNWXADVPBM-AWEZNQCLSA-N 1 1 411.528 0.605 20 0 HCADMO CCc1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1S(N)(=O)=O ZINC000605342790 1073958494 /nfs/dbraw/zinc/95/84/94/1073958494.db2.gz SBNKJNWXADVPBM-CQSZACIVSA-N 1 1 411.528 0.605 20 0 HCADMO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343686 1073959157 /nfs/dbraw/zinc/95/91/57/1073959157.db2.gz OLMHCNVCIXRWPH-HNNXBMFYSA-N 1 1 411.528 0.707 20 0 HCADMO Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000605343687 1073958941 /nfs/dbraw/zinc/95/89/41/1073958941.db2.gz OLMHCNVCIXRWPH-OAHLLOKOSA-N 1 1 411.528 0.707 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000605344270 1073958310 /nfs/dbraw/zinc/95/83/10/1073958310.db2.gz PIWZAHCWPGNGPE-UHFFFAOYSA-N 1 1 411.528 0.755 20 0 HCADMO Cc1ccc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1S(N)(=O)=O ZINC000605344384 1073959253 /nfs/dbraw/zinc/95/92/53/1073959253.db2.gz CGKBXIYCLJBPRF-UHFFFAOYSA-N 1 1 423.539 0.660 20 0 HCADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000605346128 1073960067 /nfs/dbraw/zinc/96/00/67/1073960067.db2.gz XXCGMZYBEJPMEJ-AWEZNQCLSA-N 1 1 411.528 0.660 20 0 HCADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000605346129 1073959921 /nfs/dbraw/zinc/95/99/21/1073959921.db2.gz XXCGMZYBEJPMEJ-CQSZACIVSA-N 1 1 411.528 0.660 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355802 1073976322 /nfs/dbraw/zinc/97/63/22/1073976322.db2.gz JWUAWDRLQHMQDE-INIZCTEOSA-N 1 1 417.576 0.011 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355803 1073976270 /nfs/dbraw/zinc/97/62/70/1073976270.db2.gz JWUAWDRLQHMQDE-MRXNPFEDSA-N 1 1 417.576 0.011 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605355807 1073976161 /nfs/dbraw/zinc/97/61/61/1073976161.db2.gz KHLMCUJCENHHBS-UHFFFAOYSA-N 1 1 417.576 0.154 20 0 HCADMO C[NH+]1CCN(c2cc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)ccn2)CC1 ZINC000605372572 1073963370 /nfs/dbraw/zinc/96/33/70/1073963370.db2.gz YSQGULZDNXZWHJ-UHFFFAOYSA-N 1 1 401.492 0.684 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)C[C@H](C)O1 ZINC000605397843 1073985329 /nfs/dbraw/zinc/98/53/29/1073985329.db2.gz NIEHVEPLRQJSLE-BETUJISGSA-N 1 1 408.480 0.898 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)C[C@H](C)O1 ZINC000605397843 1073985321 /nfs/dbraw/zinc/98/53/21/1073985321.db2.gz NIEHVEPLRQJSLE-BETUJISGSA-N 1 1 408.480 0.898 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)C[C@@H](C)O1 ZINC000605397844 1073985344 /nfs/dbraw/zinc/98/53/44/1073985344.db2.gz NIEHVEPLRQJSLE-CHWSQXEVSA-N 1 1 408.480 0.898 20 0 HCADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(CS(C)(=O)=O)no3)cc2)C[C@H](C)O1 ZINC000605397845 1073985169 /nfs/dbraw/zinc/98/51/69/1073985169.db2.gz NIEHVEPLRQJSLE-STQMWFEESA-N 1 1 408.480 0.898 20 0 HCADMO CC1(C)C(=O)NC(=O)N1CC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000605401406 1073987065 /nfs/dbraw/zinc/98/70/65/1073987065.db2.gz VBRJPRHAHGCHDI-UHFFFAOYSA-N 1 1 401.511 0.641 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 ZINC000605401881 1073987298 /nfs/dbraw/zinc/98/72/98/1073987298.db2.gz GOHVWPGUXHJSHU-UHFFFAOYSA-N 1 1 401.511 0.771 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CN3C(=O)NC(=O)C3(C)C)cc2)CC1 ZINC000605403902 1073988173 /nfs/dbraw/zinc/98/81/73/1073988173.db2.gz CUGUABWXVZKPNC-UHFFFAOYSA-N 1 1 401.467 0.021 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404826 1073988631 /nfs/dbraw/zinc/98/86/31/1073988631.db2.gz IJOXKMQVJQXIMG-INIZCTEOSA-N 1 1 412.512 0.550 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000605404845 1073988548 /nfs/dbraw/zinc/98/85/48/1073988548.db2.gz IJOXKMQVJQXIMG-MRXNPFEDSA-N 1 1 412.512 0.550 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408094 1073990061 /nfs/dbraw/zinc/99/00/61/1073990061.db2.gz YBWIUKMMZTUEHK-AWEZNQCLSA-N 1 1 413.544 0.845 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 ZINC000605408095 1073989979 /nfs/dbraw/zinc/98/99/79/1073989979.db2.gz YBWIUKMMZTUEHK-CQSZACIVSA-N 1 1 413.544 0.845 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408171 1073989824 /nfs/dbraw/zinc/98/98/24/1073989824.db2.gz OEFCKFJNDVVTPV-GOSISDBHSA-N 1 1 405.499 0.800 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000605408176 1073989934 /nfs/dbraw/zinc/98/99/34/1073989934.db2.gz OEFCKFJNDVVTPV-SFHVURJKSA-N 1 1 405.499 0.800 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414621 1073992005 /nfs/dbraw/zinc/99/20/05/1073992005.db2.gz OWCYPHUUNCEMTL-GOSISDBHSA-N 1 1 416.526 0.982 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 ZINC000605414622 1073991902 /nfs/dbraw/zinc/99/19/02/1073991902.db2.gz OWCYPHUUNCEMTL-SFHVURJKSA-N 1 1 416.526 0.982 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415625 1073978826 /nfs/dbraw/zinc/97/88/26/1073978826.db2.gz CPVBLELBVQOIFF-INIZCTEOSA-N 1 1 418.542 0.687 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 ZINC000605415626 1073978687 /nfs/dbraw/zinc/97/86/87/1073978687.db2.gz CPVBLELBVQOIFF-MRXNPFEDSA-N 1 1 418.542 0.687 20 0 HCADMO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605419436 1073979500 /nfs/dbraw/zinc/97/95/00/1073979500.db2.gz ACFMJXCPWQAFDU-INIZCTEOSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@H+]1CCC[C@@H](CCO)C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605419436 1073979489 /nfs/dbraw/zinc/97/94/89/1073979489.db2.gz ACFMJXCPWQAFDU-INIZCTEOSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605419437 1073980392 /nfs/dbraw/zinc/98/03/92/1073980392.db2.gz ACFMJXCPWQAFDU-MRXNPFEDSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@H+]1CCC[C@H](CCO)C1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000605419437 1073980384 /nfs/dbraw/zinc/98/03/84/1073980384.db2.gz ACFMJXCPWQAFDU-MRXNPFEDSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605419518 1073980312 /nfs/dbraw/zinc/98/03/12/1073980312.db2.gz DNVDTGSNPOVLIV-GOSISDBHSA-N 1 1 409.552 0.755 20 0 HCADMO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000605419519 1073980221 /nfs/dbraw/zinc/98/02/21/1073980221.db2.gz DNVDTGSNPOVLIV-SFHVURJKSA-N 1 1 409.552 0.755 20 0 HCADMO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605420068 1073980278 /nfs/dbraw/zinc/98/02/78/1073980278.db2.gz XIWNEMZHOAERPC-INIZCTEOSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@H+]1CCC[C@@H](CCO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605420068 1073980274 /nfs/dbraw/zinc/98/02/74/1073980274.db2.gz XIWNEMZHOAERPC-INIZCTEOSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@@H+]1CCC[C@H](CCO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605420069 1073980372 /nfs/dbraw/zinc/98/03/72/1073980372.db2.gz XIWNEMZHOAERPC-MRXNPFEDSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@H+]1CCC[C@H](CCO)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000605420069 1073980367 /nfs/dbraw/zinc/98/03/67/1073980367.db2.gz XIWNEMZHOAERPC-MRXNPFEDSA-N 1 1 411.524 0.740 20 0 HCADMO O=C(C[N@H+](CCCCO)C1CC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000605421324 1073980291 /nfs/dbraw/zinc/98/02/91/1073980291.db2.gz QUHLUDCSYZGGRR-UHFFFAOYSA-N 1 1 413.515 0.896 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000605421344 1073980148 /nfs/dbraw/zinc/98/01/48/1073980148.db2.gz CSGFPFDBYPKKPG-INIZCTEOSA-N 1 1 410.540 0.170 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000605421345 1073980337 /nfs/dbraw/zinc/98/03/37/1073980337.db2.gz 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/nfs/dbraw/zinc/00/15/27/1074001527.db2.gz CHFOCJTVUWAUMZ-GJZGRUSLSA-N 1 1 417.510 0.734 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430034 1074001664 /nfs/dbraw/zinc/00/16/64/1074001664.db2.gz CHFOCJTVUWAUMZ-HUUCEWRRSA-N 1 1 417.510 0.734 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000605430035 1074001784 /nfs/dbraw/zinc/00/17/84/1074001784.db2.gz CHFOCJTVUWAUMZ-LSDHHAIUSA-N 1 1 417.510 0.734 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430056 1074001837 /nfs/dbraw/zinc/00/18/37/1074001837.db2.gz FICISOKOVAPUSP-AWEZNQCLSA-N 1 1 403.483 0.460 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000605430057 1074001621 /nfs/dbraw/zinc/00/16/21/1074001621.db2.gz FICISOKOVAPUSP-CQSZACIVSA-N 1 1 403.483 0.460 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000605430070 1074001810 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ZINC000605430334 1074001117 /nfs/dbraw/zinc/00/11/17/1074001117.db2.gz YLTSXDDTJFCLPI-HNNXBMFYSA-N 1 1 419.526 0.982 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000605430335 1074001180 /nfs/dbraw/zinc/00/11/80/1074001180.db2.gz YLTSXDDTJFCLPI-OAHLLOKOSA-N 1 1 419.526 0.982 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)CN1CC[NH+](C)CC1 ZINC000605430766 1074004698 /nfs/dbraw/zinc/00/46/98/1074004698.db2.gz BGYXTEUGTDTMSG-HNNXBMFYSA-N 1 1 401.511 0.973 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1)CN1CC[NH+](C)CC1 ZINC000605430767 1074004443 /nfs/dbraw/zinc/00/44/43/1074004443.db2.gz BGYXTEUGTDTMSG-OAHLLOKOSA-N 1 1 401.511 0.973 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000605430769 1074004369 /nfs/dbraw/zinc/00/43/69/1074004369.db2.gz BRUSQBGQNAKETP-INIZCTEOSA-N 1 1 406.527 0.958 20 0 HCADMO COCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000605430770 1074004325 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ZINC000605917086 1074042792 /nfs/dbraw/zinc/04/27/92/1074042792.db2.gz SQPCEWNSTKCTEM-QGZVFWFLSA-N 1 1 418.542 0.450 20 0 HCADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000605917442 1074042767 /nfs/dbraw/zinc/04/27/67/1074042767.db2.gz UIPAVNJQGXVCMG-INIZCTEOSA-N 1 1 416.588 0.989 20 0 HCADMO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC000605917443 1074043066 /nfs/dbraw/zinc/04/30/66/1074043066.db2.gz UIPAVNJQGXVCMG-MRXNPFEDSA-N 1 1 416.588 0.989 20 0 HCADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000605918928 1074042924 /nfs/dbraw/zinc/04/29/24/1074042924.db2.gz ULUNAXSKSSBFFR-GOSISDBHSA-N 1 1 415.542 0.508 20 0 HCADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000605918937 1074043208 /nfs/dbraw/zinc/04/32/08/1074043208.db2.gz ULUNAXSKSSBFFR-SFHVURJKSA-N 1 1 415.542 0.508 20 0 HCADMO CNS(=O)(=O)c1ccc(C)c(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000605924867 1074043587 /nfs/dbraw/zinc/04/35/87/1074043587.db2.gz OVZXBGLHGJHIDI-AWEZNQCLSA-N 1 1 411.528 0.612 20 0 HCADMO CNS(=O)(=O)c1ccc(C)c(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000605924868 1074043483 /nfs/dbraw/zinc/04/34/83/1074043483.db2.gz OVZXBGLHGJHIDI-CQSZACIVSA-N 1 1 411.528 0.612 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@H](C)O1 ZINC000605932411 1074044258 /nfs/dbraw/zinc/04/42/58/1074044258.db2.gz KGCGETMWUSZMCU-HOTGVXAUSA-N 1 1 422.530 0.751 20 0 HCADMO O=C(Cn1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)n1)N1CCOCC1 ZINC000605933534 1074044352 /nfs/dbraw/zinc/04/43/52/1074044352.db2.gz FOAVZTBRSOMJCM-UHFFFAOYSA-N 1 1 412.494 0.922 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000605949614 1074042412 /nfs/dbraw/zinc/04/24/12/1074042412.db2.gz DTUAIUNATKFNCR-UHFFFAOYSA-N 1 1 403.593 0.565 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605966124 1074051017 /nfs/dbraw/zinc/05/10/17/1074051017.db2.gz JXNVDQNRBNSRJK-UHFFFAOYSA-N 1 1 420.576 0.227 20 0 HCADMO CCOC[C@H](O)C[NH+]1CCN(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CC1 ZINC000605967685 1074051410 /nfs/dbraw/zinc/05/14/10/1074051410.db2.gz UHTHBKZJBQFJQR-OAHLLOKOSA-N 1 1 424.464 0.654 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000605968960 1074051354 /nfs/dbraw/zinc/05/13/54/1074051354.db2.gz WFUNZJWJDVIYAM-UHFFFAOYSA-N 1 1 416.570 0.662 20 0 HCADMO C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000605969505 1074051830 /nfs/dbraw/zinc/05/18/30/1074051830.db2.gz JVEFUYGBWHTQKE-AWEZNQCLSA-N 1 1 402.561 0.742 20 0 HCADMO C[C@H](CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000605969511 1074051811 /nfs/dbraw/zinc/05/18/11/1074051811.db2.gz JVEFUYGBWHTQKE-CQSZACIVSA-N 1 1 402.561 0.742 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000605969714 1074051506 /nfs/dbraw/zinc/05/15/06/1074051506.db2.gz UXLHUXBKARNKCR-NRFANRHFSA-N 1 1 416.526 0.568 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000605969723 1074051936 /nfs/dbraw/zinc/05/19/36/1074051936.db2.gz UXLHUXBKARNKCR-OAQYLSRUSA-N 1 1 416.526 0.568 20 0 HCADMO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000605969797 1074052135 /nfs/dbraw/zinc/05/21/35/1074052135.db2.gz MUNPWBSBOZYQGJ-INIZCTEOSA-N 1 1 411.572 0.983 20 0 HCADMO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000605969799 1074052000 /nfs/dbraw/zinc/05/20/00/1074052000.db2.gz MUNPWBSBOZYQGJ-MRXNPFEDSA-N 1 1 411.572 0.983 20 0 HCADMO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000605973555 1074046063 /nfs/dbraw/zinc/04/60/63/1074046063.db2.gz LBWYHPFNHKXQEM-RBUKOAKNSA-N 1 1 417.554 0.862 20 0 HCADMO Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000605973557 1074045692 /nfs/dbraw/zinc/04/56/92/1074045692.db2.gz LBWYHPFNHKXQEM-RTBURBONSA-N 1 1 417.554 0.862 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H](O)[C@H]3CCOC3)c2)C1 ZINC000605974269 1074045857 /nfs/dbraw/zinc/04/58/57/1074045857.db2.gz SZBJDYIBBXWSJO-CEXWTWQISA-N 1 1 404.511 0.581 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H](O)[C@@H]3CCOC3)c2)C1 ZINC000605974270 1074045810 /nfs/dbraw/zinc/04/58/10/1074045810.db2.gz SZBJDYIBBXWSJO-GUDVDZBRSA-N 1 1 404.511 0.581 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H](O)[C@@H]3CCOC3)c2)C1 ZINC000605974272 1074045891 /nfs/dbraw/zinc/04/58/91/1074045891.db2.gz SZBJDYIBBXWSJO-QRVBRYPASA-N 1 1 404.511 0.581 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H](O)[C@H]3CCOC3)c2)C1 ZINC000605974274 1074045747 /nfs/dbraw/zinc/04/57/47/1074045747.db2.gz SZBJDYIBBXWSJO-QYZOEREBSA-N 1 1 404.511 0.581 20 0 HCADMO CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000605974303 1074045766 /nfs/dbraw/zinc/04/57/66/1074045766.db2.gz FOCYNSPOKANQIA-IBGZPJMESA-N 1 1 419.574 0.477 20 0 HCADMO CN(C(=O)NCCCCN1CC[NH+](CCO)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000605974304 1074045719 /nfs/dbraw/zinc/04/57/19/1074045719.db2.gz FOCYNSPOKANQIA-LJQANCHMSA-N 1 1 419.574 0.477 20 0 HCADMO CCCC[N@@H+](C)CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605975304 1074046570 /nfs/dbraw/zinc/04/65/70/1074046570.db2.gz NVIJGQJAPPDYGA-UHFFFAOYSA-N 1 1 404.577 0.991 20 0 HCADMO O=C(NCC[NH+]1CCSCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605976890 1074046549 /nfs/dbraw/zinc/04/65/49/1074046549.db2.gz WZGNBYDCJDKTDO-UHFFFAOYSA-N 1 1 420.601 0.308 20 0 HCADMO Cc1ccc(N2CCC[C@H](NC(=O)NCCCCN3CC[NH+](CCO)CC3)C2)nn1 ZINC000605976918 1074046256 /nfs/dbraw/zinc/04/62/56/1074046256.db2.gz VWGAPZFTJRJKEX-IBGZPJMESA-N 1 1 419.574 0.443 20 0 HCADMO Cc1ccc(N2CCC[C@@H](NC(=O)NCCCCN3CC[NH+](CCO)CC3)C2)nn1 ZINC000605976923 1074046362 /nfs/dbraw/zinc/04/63/62/1074046362.db2.gz VWGAPZFTJRJKEX-LJQANCHMSA-N 1 1 419.574 0.443 20 0 HCADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605977019 1074046637 /nfs/dbraw/zinc/04/66/37/1074046637.db2.gz LHQODEJPURBHTD-HNNXBMFYSA-N 1 1 400.545 0.496 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977217 1074046598 /nfs/dbraw/zinc/04/65/98/1074046598.db2.gz OLOYDASBQUNCHN-AZUAARDMSA-N 1 1 409.575 0.193 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000605977221 1074046506 /nfs/dbraw/zinc/04/65/06/1074046506.db2.gz OLOYDASBQUNCHN-ICSRJNTNSA-N 1 1 409.575 0.193 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977223 1074046461 /nfs/dbraw/zinc/04/64/61/1074046461.db2.gz OLOYDASBQUNCHN-QUCCMNQESA-N 1 1 409.575 0.193 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000605977225 1074046678 /nfs/dbraw/zinc/04/66/78/1074046678.db2.gz OLOYDASBQUNCHN-UYAOXDASSA-N 1 1 409.575 0.193 20 0 HCADMO O=C(N[C@H]1CCN(CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978460 1074046940 /nfs/dbraw/zinc/04/69/40/1074046940.db2.gz ZMZATMLYAKDBMX-FQEVSTJZSA-N 1 1 409.575 0.147 20 0 HCADMO O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000605978461 1074047064 /nfs/dbraw/zinc/04/70/64/1074047064.db2.gz ZMZATMLYAKDBMX-HXUWFJFHSA-N 1 1 409.575 0.147 20 0 HCADMO C[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000605981531 1074047053 /nfs/dbraw/zinc/04/70/53/1074047053.db2.gz VFWAQZHDYGVCSD-DLBZAZTESA-N 1 1 407.559 0.972 20 0 HCADMO C[C@@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000605981545 1074047084 /nfs/dbraw/zinc/04/70/84/1074047084.db2.gz VFWAQZHDYGVCSD-IAGOWNOFSA-N 1 1 407.559 0.972 20 0 HCADMO C[C@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000605981549 1074047435 /nfs/dbraw/zinc/04/74/35/1074047435.db2.gz VFWAQZHDYGVCSD-IRXDYDNUSA-N 1 1 407.559 0.972 20 0 HCADMO C[C@H](NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000605981551 1074047598 /nfs/dbraw/zinc/04/75/98/1074047598.db2.gz VFWAQZHDYGVCSD-SJORKVTESA-N 1 1 407.559 0.972 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000605983640 1074047973 /nfs/dbraw/zinc/04/79/73/1074047973.db2.gz PLKIYLIUVBQTEY-JENIJYKNSA-N 1 1 423.558 0.350 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000605983646 1074048097 /nfs/dbraw/zinc/04/80/97/1074048097.db2.gz PLKIYLIUVBQTEY-SCTDSRPQSA-N 1 1 423.558 0.350 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000605983646 1074048091 /nfs/dbraw/zinc/04/80/91/1074048091.db2.gz PLKIYLIUVBQTEY-SCTDSRPQSA-N 1 1 423.558 0.350 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000605983648 1074048060 /nfs/dbraw/zinc/04/80/60/1074048060.db2.gz PLKIYLIUVBQTEY-ZHALLVOQSA-N 1 1 423.558 0.350 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000605983650 1074047852 /nfs/dbraw/zinc/04/78/52/1074047852.db2.gz PLKIYLIUVBQTEY-ZIFCJYIRSA-N 1 1 423.558 0.350 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000605983650 1074047844 /nfs/dbraw/zinc/04/78/44/1074047844.db2.gz PLKIYLIUVBQTEY-ZIFCJYIRSA-N 1 1 423.558 0.350 20 0 HCADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983809 1074047328 /nfs/dbraw/zinc/04/73/28/1074047328.db2.gz HAZJSZBOKADZGQ-HNNXBMFYSA-N 1 1 402.561 0.695 20 0 HCADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605983810 1074047368 /nfs/dbraw/zinc/04/73/68/1074047368.db2.gz HAZJSZBOKADZGQ-OAHLLOKOSA-N 1 1 402.561 0.695 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984172 1074048382 /nfs/dbraw/zinc/04/83/82/1074048382.db2.gz LUEMWMUWZMZNKZ-INIZCTEOSA-N 1 1 416.588 0.943 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605984175 1074048361 /nfs/dbraw/zinc/04/83/61/1074048361.db2.gz LUEMWMUWZMZNKZ-MRXNPFEDSA-N 1 1 416.588 0.943 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000605984222 1074048673 /nfs/dbraw/zinc/04/86/73/1074048673.db2.gz ZPILPIDIHIUBNV-IBGZPJMESA-N 1 1 401.511 0.766 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000605984222 1074048667 /nfs/dbraw/zinc/04/86/67/1074048667.db2.gz ZPILPIDIHIUBNV-IBGZPJMESA-N 1 1 401.511 0.766 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000605984227 1074048414 /nfs/dbraw/zinc/04/84/14/1074048414.db2.gz ZPILPIDIHIUBNV-LJQANCHMSA-N 1 1 401.511 0.766 20 0 HCADMO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000605984227 1074048403 /nfs/dbraw/zinc/04/84/03/1074048403.db2.gz ZPILPIDIHIUBNV-LJQANCHMSA-N 1 1 401.511 0.766 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000605985226 1074048887 /nfs/dbraw/zinc/04/88/87/1074048887.db2.gz GPVLGQZJQHEVOU-UHFFFAOYSA-N 1 1 403.527 0.887 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000605985824 1074049119 /nfs/dbraw/zinc/04/91/19/1074049119.db2.gz ODOIJANONPNQKP-UHFFFAOYSA-N 1 1 403.531 0.040 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000605985856 1074048538 /nfs/dbraw/zinc/04/85/38/1074048538.db2.gz PWUFSXPJPPWUFL-KRWDZBQOSA-N 1 1 403.593 0.517 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000605985857 1074048314 /nfs/dbraw/zinc/04/83/14/1074048314.db2.gz PWUFSXPJPPWUFL-QGZVFWFLSA-N 1 1 403.593 0.517 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000605985879 1074048581 /nfs/dbraw/zinc/04/85/81/1074048581.db2.gz RPKISNVVIIBXID-MRXNPFEDSA-N 1 1 408.499 0.482 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000605986431 1074049087 /nfs/dbraw/zinc/04/90/87/1074049087.db2.gz VPYGNDCNDXLSIU-UHFFFAOYSA-N 1 1 408.591 0.354 20 0 HCADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000605987634 1074049474 /nfs/dbraw/zinc/04/94/74/1074049474.db2.gz CKKQLJDZFTVALT-INIZCTEOSA-N 1 1 407.515 0.254 20 0 HCADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000605987635 1074049600 /nfs/dbraw/zinc/04/96/00/1074049600.db2.gz CKKQLJDZFTVALT-MRXNPFEDSA-N 1 1 407.515 0.254 20 0 HCADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988044 1074049454 /nfs/dbraw/zinc/04/94/54/1074049454.db2.gz KGSKUIVQZLJEHS-MOPGFXCFSA-N 1 1 409.575 0.825 20 0 HCADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988045 1074049584 /nfs/dbraw/zinc/04/95/84/1074049584.db2.gz KGSKUIVQZLJEHS-OALUTQOASA-N 1 1 409.575 0.825 20 0 HCADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988046 1074049957 /nfs/dbraw/zinc/04/99/57/1074049957.db2.gz KGSKUIVQZLJEHS-RBUKOAKNSA-N 1 1 409.575 0.825 20 0 HCADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000605988047 1074050127 /nfs/dbraw/zinc/05/01/27/1074050127.db2.gz KGSKUIVQZLJEHS-RTBURBONSA-N 1 1 409.575 0.825 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000605989415 1074049923 /nfs/dbraw/zinc/04/99/23/1074049923.db2.gz AQFIQLGPUOYCPC-UHFFFAOYSA-N 1 1 412.512 0.534 20 0 HCADMO CC(=O)N(Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000605989581 1074049898 /nfs/dbraw/zinc/04/98/98/1074049898.db2.gz PTWSHSJAJYPPAR-UHFFFAOYSA-N 1 1 402.495 0.975 20 0 HCADMO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000605989592 1074049870 /nfs/dbraw/zinc/04/98/70/1074049870.db2.gz SKBPILPJLXKFHP-UHFFFAOYSA-N 1 1 418.494 0.244 20 0 HCADMO Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000605992560 1074058384 /nfs/dbraw/zinc/05/83/84/1074058384.db2.gz DMNKJSHVSGEKFR-HNNXBMFYSA-N 1 1 408.480 0.901 20 0 HCADMO CC(=O)NCCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605992615 1074058269 /nfs/dbraw/zinc/05/82/69/1074058269.db2.gz QYYMTYBIAPQLAY-UHFFFAOYSA-N 1 1 401.467 0.164 20 0 HCADMO O=C(NCCn1ccnc1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605992740 1074058311 /nfs/dbraw/zinc/05/83/11/1074058311.db2.gz GTPKESDZKITKFT-UHFFFAOYSA-N 1 1 410.478 0.925 20 0 HCADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000605994561 1074059306 /nfs/dbraw/zinc/05/93/06/1074059306.db2.gz ANEQREPNCOQNEC-HNNXBMFYSA-N 1 1 420.466 0.802 20 0 HCADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000605994564 1074059382 /nfs/dbraw/zinc/05/93/82/1074059382.db2.gz ANEQREPNCOQNEC-OAHLLOKOSA-N 1 1 420.466 0.802 20 0 HCADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000605995259 1074059849 /nfs/dbraw/zinc/05/98/49/1074059849.db2.gz WEQQNKLZIUMEFU-HNNXBMFYSA-N 1 1 424.454 0.958 20 0 HCADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000605995260 1074060029 /nfs/dbraw/zinc/06/00/29/1074060029.db2.gz WEQQNKLZIUMEFU-OAHLLOKOSA-N 1 1 424.454 0.958 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C ZINC000605995374 1074059286 /nfs/dbraw/zinc/05/92/86/1074059286.db2.gz RCBQDEQADXCINX-INIZCTEOSA-N 1 1 420.491 0.700 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+](C)C ZINC000605995396 1074059476 /nfs/dbraw/zinc/05/94/76/1074059476.db2.gz RCBQDEQADXCINX-MRXNPFEDSA-N 1 1 420.491 0.700 20 0 HCADMO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1S(N)(=O)=O ZINC000605995419 1074059740 /nfs/dbraw/zinc/05/97/40/1074059740.db2.gz WMWFKTIWJPXMHS-AWEZNQCLSA-N 1 1 408.480 0.847 20 0 HCADMO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1S(N)(=O)=O ZINC000605995420 1074059903 /nfs/dbraw/zinc/05/99/03/1074059903.db2.gz WMWFKTIWJPXMHS-CQSZACIVSA-N 1 1 408.480 0.847 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000605995681 1074059241 /nfs/dbraw/zinc/05/92/41/1074059241.db2.gz ZPQSRDCYOPMBSZ-HNNXBMFYSA-N 1 1 406.464 0.819 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000605995682 1074059116 /nfs/dbraw/zinc/05/91/16/1074059116.db2.gz ZPQSRDCYOPMBSZ-OAHLLOKOSA-N 1 1 406.464 0.819 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000605995708 1074059176 /nfs/dbraw/zinc/05/91/76/1074059176.db2.gz LUZDKZMBYDLCBE-KRWDZBQOSA-N 1 1 416.503 0.972 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000605995710 1074059356 /nfs/dbraw/zinc/05/93/56/1074059356.db2.gz LUZDKZMBYDLCBE-QGZVFWFLSA-N 1 1 416.503 0.972 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000605996481 1074059966 /nfs/dbraw/zinc/05/99/66/1074059966.db2.gz URPYZUGVKNNWDP-INIZCTEOSA-N 1 1 402.476 0.663 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000605996483 1074059786 /nfs/dbraw/zinc/05/97/86/1074059786.db2.gz URPYZUGVKNNWDP-MRXNPFEDSA-N 1 1 402.476 0.663 20 0 HCADMO CN(C)C(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605996857 1074059765 /nfs/dbraw/zinc/05/97/65/1074059765.db2.gz VAINUQMSEWDSMU-UHFFFAOYSA-N 1 1 401.467 0.116 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605996974 1074060064 /nfs/dbraw/zinc/06/00/64/1074060064.db2.gz DBZNFGBVDHQSGZ-GFCCVEGCSA-N 1 1 400.476 0.792 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000605996975 1074059807 /nfs/dbraw/zinc/05/98/07/1074059807.db2.gz DBZNFGBVDHQSGZ-LBPRGKRZSA-N 1 1 400.476 0.792 20 0 HCADMO CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605997027 1074060373 /nfs/dbraw/zinc/06/03/73/1074060373.db2.gz BQLUSKWQKOSEJA-UHFFFAOYSA-N 1 1 401.467 0.164 20 0 HCADMO CCCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605997148 1074060837 /nfs/dbraw/zinc/06/08/37/1074060837.db2.gz HWJSGMFBDIHTGN-UHFFFAOYSA-N 1 1 415.494 0.554 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000605998003 1074060966 /nfs/dbraw/zinc/06/09/66/1074060966.db2.gz IRQVZNKOAPIPGJ-HNNXBMFYSA-N 1 1 404.446 0.818 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 ZINC000605998007 1074060996 /nfs/dbraw/zinc/06/09/96/1074060996.db2.gz IRQVZNKOAPIPGJ-OAHLLOKOSA-N 1 1 404.446 0.818 20 0 HCADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1S(N)(=O)=O ZINC000605998457 1074060946 /nfs/dbraw/zinc/06/09/46/1074060946.db2.gz NUOSGVIUOOHJAP-HNNXBMFYSA-N 1 1 412.512 0.054 20 0 HCADMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1S(N)(=O)=O ZINC000605998458 1074060856 /nfs/dbraw/zinc/06/08/56/1074060856.db2.gz NUOSGVIUOOHJAP-OAHLLOKOSA-N 1 1 412.512 0.054 20 0 HCADMO CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605999210 1074061735 /nfs/dbraw/zinc/06/17/35/1074061735.db2.gz WANLFFAPZFEVFI-UHFFFAOYSA-N 1 1 415.494 0.553 20 0 HCADMO CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605999487 1074061431 /nfs/dbraw/zinc/06/14/31/1074061431.db2.gz ZVUWNRSFLPEZCJ-HNNXBMFYSA-N 1 1 415.494 0.553 20 0 HCADMO O=C(CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)NC1CC1 ZINC000605999488 1074061275 /nfs/dbraw/zinc/06/12/75/1074061275.db2.gz VMXYYTOGGPZAOS-UHFFFAOYSA-N 1 1 413.478 0.307 20 0 HCADMO CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000605999490 1074061392 /nfs/dbraw/zinc/06/13/92/1074061392.db2.gz ZVUWNRSFLPEZCJ-OAHLLOKOSA-N 1 1 415.494 0.553 20 0 HCADMO C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000605999613 1074061358 /nfs/dbraw/zinc/06/13/58/1074061358.db2.gz NJXIIFBVZSGLNA-UHFFFAOYSA-N 1 1 404.492 0.911 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000606000977 1074061841 /nfs/dbraw/zinc/06/18/41/1074061841.db2.gz FHEJJYFUDZDUOH-KBPBESRZSA-N 1 1 401.471 0.605 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000606000979 1074061954 /nfs/dbraw/zinc/06/19/54/1074061954.db2.gz FHEJJYFUDZDUOH-OKILXGFUSA-N 1 1 401.471 0.605 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C[C@H](C)O1 ZINC000606000979 1074061946 /nfs/dbraw/zinc/06/19/46/1074061946.db2.gz FHEJJYFUDZDUOH-OKILXGFUSA-N 1 1 401.471 0.605 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccnc2-n2cncn2)C[C@@H](C)O1 ZINC000606000981 1074061770 /nfs/dbraw/zinc/06/17/70/1074061770.db2.gz FHEJJYFUDZDUOH-ZIAGYGMSSA-N 1 1 401.471 0.605 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606001009 1074062321 /nfs/dbraw/zinc/06/23/21/1074062321.db2.gz GEFCDEHCVXGTNT-BETUJISGSA-N 1 1 412.512 0.277 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606001009 1074062315 /nfs/dbraw/zinc/06/23/15/1074062315.db2.gz GEFCDEHCVXGTNT-BETUJISGSA-N 1 1 412.512 0.277 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000606001011 1074062273 /nfs/dbraw/zinc/06/22/73/1074062273.db2.gz GEFCDEHCVXGTNT-CHWSQXEVSA-N 1 1 412.512 0.277 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606001012 1074062201 /nfs/dbraw/zinc/06/22/01/1074062201.db2.gz GEFCDEHCVXGTNT-STQMWFEESA-N 1 1 412.512 0.277 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606003798 1074062567 /nfs/dbraw/zinc/06/25/67/1074062567.db2.gz OGUQAOZOPIISFV-INIZCTEOSA-N 1 1 418.494 0.383 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606003799 1074062758 /nfs/dbraw/zinc/06/27/58/1074062758.db2.gz OGUQAOZOPIISFV-MRXNPFEDSA-N 1 1 418.494 0.383 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606004340 1074063509 /nfs/dbraw/zinc/06/35/09/1074063509.db2.gz QRDGIZMAOFUUMD-TXEJJXNPSA-N 1 1 416.475 0.027 20 0 HCADMO CCc1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000606005489 1074064039 /nfs/dbraw/zinc/06/40/39/1074064039.db2.gz WGMUIBUIIDXWGI-UHFFFAOYSA-N 1 1 400.487 0.040 20 0 HCADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000606005526 1074064187 /nfs/dbraw/zinc/06/41/87/1074064187.db2.gz WOJUMZYBPLHZCC-UHFFFAOYSA-N 1 1 410.482 0.411 20 0 HCADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000606006072 1074064158 /nfs/dbraw/zinc/06/41/58/1074064158.db2.gz MRRXKFYXNUDGOP-IBGZPJMESA-N 1 1 403.527 0.996 20 0 HCADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000606006078 1074064176 /nfs/dbraw/zinc/06/41/76/1074064176.db2.gz MRRXKFYXNUDGOP-LJQANCHMSA-N 1 1 403.527 0.996 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+]1CCN(C)CC1 ZINC000606006079 1074063870 /nfs/dbraw/zinc/06/38/70/1074063870.db2.gz MUARDZPWLBAUHL-GOSISDBHSA-N 1 1 417.489 0.733 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1)[NH+]1CCN(C)CC1 ZINC000606006088 1074064113 /nfs/dbraw/zinc/06/41/13/1074064113.db2.gz MUARDZPWLBAUHL-SFHVURJKSA-N 1 1 417.489 0.733 20 0 HCADMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccnc1-n1cncn1)[NH+]1CCOCC1 ZINC000606006104 1074063996 /nfs/dbraw/zinc/06/39/96/1074063996.db2.gz LJCBKYKFIGHROA-KRWDZBQOSA-N 1 1 415.498 0.854 20 0 HCADMO 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CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000606012660 1074051860 /nfs/dbraw/zinc/05/18/60/1074051860.db2.gz AKEJNUSJMQFCSA-UHFFFAOYSA-N 1 1 417.489 0.879 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000606012678 1074051963 /nfs/dbraw/zinc/05/19/63/1074051963.db2.gz WIILGAWQYCVZSH-CABCVRRESA-N 1 1 410.540 0.911 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000606012680 1074051879 /nfs/dbraw/zinc/05/18/79/1074051879.db2.gz WIILGAWQYCVZSH-GJZGRUSLSA-N 1 1 410.540 0.911 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000606012681 1074052649 /nfs/dbraw/zinc/05/26/49/1074052649.db2.gz WIILGAWQYCVZSH-HUUCEWRRSA-N 1 1 410.540 0.911 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000606012683 1074052379 /nfs/dbraw/zinc/05/23/79/1074052379.db2.gz WIILGAWQYCVZSH-LSDHHAIUSA-N 1 1 410.540 0.911 20 0 HCADMO 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MFNVNBADKQCFKX-ZDUSSCGKSA-N 1 1 424.523 0.996 20 0 HCADMO Cn1nccc1CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606015904 1074053443 /nfs/dbraw/zinc/05/34/43/1074053443.db2.gz JYVAIIOEYDQLSP-UHFFFAOYSA-N 1 1 410.478 0.962 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCc2sccc2C1 ZINC000606017155 1074054831 /nfs/dbraw/zinc/05/48/31/1074054831.db2.gz OUZXOFXSCNCFOM-GFCCVEGCSA-N 1 1 422.532 0.897 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000606017155 1074054820 /nfs/dbraw/zinc/05/48/20/1074054820.db2.gz OUZXOFXSCNCFOM-GFCCVEGCSA-N 1 1 422.532 0.897 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCc2sccc2C1 ZINC000606017167 1074054801 /nfs/dbraw/zinc/05/48/01/1074054801.db2.gz OUZXOFXSCNCFOM-LBPRGKRZSA-N 1 1 422.532 0.897 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCc2sccc2C1 ZINC000606017167 1074054791 /nfs/dbraw/zinc/05/47/91/1074054791.db2.gz OUZXOFXSCNCFOM-LBPRGKRZSA-N 1 1 422.532 0.897 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000606021271 1074057115 /nfs/dbraw/zinc/05/71/15/1074057115.db2.gz QJMKKLQJEQVQRP-GFCCVEGCSA-N 1 1 416.400 0.813 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000606021273 1074057047 /nfs/dbraw/zinc/05/70/47/1074057047.db2.gz QJMKKLQJEQVQRP-LBPRGKRZSA-N 1 1 416.400 0.813 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000606022729 1074057491 /nfs/dbraw/zinc/05/74/91/1074057491.db2.gz PTPYYODBAWBOQO-PBHICJAKSA-N 1 1 409.508 0.664 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000606022731 1074057586 /nfs/dbraw/zinc/05/75/86/1074057586.db2.gz PTPYYODBAWBOQO-RHSMWYFYSA-N 1 1 409.508 0.664 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000606022733 1074057408 /nfs/dbraw/zinc/05/74/08/1074057408.db2.gz PTPYYODBAWBOQO-WMLDXEAASA-N 1 1 409.508 0.664 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1)[NH+]1CCOCC1 ZINC000606022734 1074057435 /nfs/dbraw/zinc/05/74/35/1074057435.db2.gz PTPYYODBAWBOQO-YOEHRIQHSA-N 1 1 409.508 0.664 20 0 HCADMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000606023338 1074079396 /nfs/dbraw/zinc/07/93/96/1074079396.db2.gz ZRONPOPSYJRFCQ-GOSISDBHSA-N 1 1 400.479 0.895 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000606027337 1074067663 /nfs/dbraw/zinc/06/76/63/1074067663.db2.gz HMXQLZVCETYPRJ-UHFFFAOYSA-N 1 1 416.503 0.659 20 0 HCADMO O=C(Nc1cccnc1-n1cncn1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000606028464 1074067978 /nfs/dbraw/zinc/06/79/78/1074067978.db2.gz XOMFNUVPOSAUFK-UHFFFAOYSA-N 1 1 405.462 0.988 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)[NH+]1CCOCC1 ZINC000606029579 1074068471 /nfs/dbraw/zinc/06/84/71/1074068471.db2.gz LNJJTYSIXYJALD-HNNXBMFYSA-N 1 1 424.523 0.122 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1)[NH+]1CCOCC1 ZINC000606029580 1074068509 /nfs/dbraw/zinc/06/85/09/1074068509.db2.gz LNJJTYSIXYJALD-OAHLLOKOSA-N 1 1 424.523 0.122 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606030855 1074069539 /nfs/dbraw/zinc/06/95/39/1074069539.db2.gz HBDDNTXAXUSELS-INIZCTEOSA-N 1 1 424.523 0.294 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000606031279 1074070331 /nfs/dbraw/zinc/07/03/31/1074070331.db2.gz HBDDNTXAXUSELS-MRXNPFEDSA-N 1 1 424.523 0.294 20 0 HCADMO CCn1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1=O ZINC000606031342 1074070426 /nfs/dbraw/zinc/07/04/26/1074070426.db2.gz JDNICJQEPVYACY-UHFFFAOYSA-N 1 1 411.506 0.871 20 0 HCADMO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000606032407 1074071284 /nfs/dbraw/zinc/07/12/84/1074071284.db2.gz UTOBEMUGJSMMRS-HNNXBMFYSA-N 1 1 417.445 0.453 20 0 HCADMO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000606032408 1074071244 /nfs/dbraw/zinc/07/12/44/1074071244.db2.gz UTOBEMUGJSMMRS-OAHLLOKOSA-N 1 1 417.445 0.453 20 0 HCADMO O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000606032441 1074070877 /nfs/dbraw/zinc/07/08/77/1074070877.db2.gz WJKPZHNEZBCXGV-SFHVURJKSA-N 1 1 412.494 0.978 20 0 HCADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000606034205 1074072102 /nfs/dbraw/zinc/07/21/02/1074072102.db2.gz ABRZIZNGNPHQIC-UHFFFAOYSA-N 1 1 412.494 0.708 20 0 HCADMO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000606034409 1074072042 /nfs/dbraw/zinc/07/20/42/1074072042.db2.gz GPTFGYKJTYMPSB-UHFFFAOYSA-N 1 1 414.466 0.105 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C(C)C)CC2)cc1OC ZINC000606034636 1074071700 /nfs/dbraw/zinc/07/17/00/1074071700.db2.gz XZBFDACIFAUONU-UHFFFAOYSA-N 1 1 412.512 0.948 20 0 HCADMO CNC(=O)CN(C)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606034710 1074071743 /nfs/dbraw/zinc/07/17/43/1074071743.db2.gz RHSLKOMRTQLCED-UHFFFAOYSA-N 1 1 401.467 0.116 20 0 HCADMO Cc1cnn(-c2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2F)c1 ZINC000606034913 1074071845 /nfs/dbraw/zinc/07/18/45/1074071845.db2.gz NFXZWEGNARSCBL-UHFFFAOYSA-N 1 1 416.457 0.539 20 0 HCADMO CC(C)n1ncc2cc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc21 ZINC000606035001 1074071617 /nfs/dbraw/zinc/07/16/17/1074071617.db2.gz PCWQMHBANSLWCE-UHFFFAOYSA-N 1 1 400.483 0.836 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(Br)ccc2F)CC1 ZINC000606035170 1074072624 /nfs/dbraw/zinc/07/26/24/1074072624.db2.gz UCZQAJFNWGXHIH-UHFFFAOYSA-N 1 1 415.263 0.807 20 0 HCADMO COc1cc(C)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000606035326 1074072689 /nfs/dbraw/zinc/07/26/89/1074072689.db2.gz HRBYLCVHYPMPKJ-UHFFFAOYSA-N 1 1 402.495 0.955 20 0 HCADMO CNC(=O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606037833 1074073545 /nfs/dbraw/zinc/07/35/45/1074073545.db2.gz KFXLWDYGHKDFBP-UHFFFAOYSA-N 1 1 401.467 0.164 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)Cc1ccccc1 ZINC000606044596 1074076410 /nfs/dbraw/zinc/07/64/10/1074076410.db2.gz FJRNVSSPUDGBAY-UHFFFAOYSA-N 1 1 418.519 0.923 20 0 HCADMO Cn1cc(CNC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cn1 ZINC000606046787 1074076583 /nfs/dbraw/zinc/07/65/83/1074076583.db2.gz JTTXETWZNXLFPI-UHFFFAOYSA-N 1 1 410.478 0.962 20 0 HCADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047103 1074076855 /nfs/dbraw/zinc/07/68/55/1074076855.db2.gz FEHNPTJIKHZJGW-FRRDWIJNSA-N 1 1 414.503 0.894 20 0 HCADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047113 1074076796 /nfs/dbraw/zinc/07/67/96/1074076796.db2.gz FEHNPTJIKHZJGW-XQQFMLRXSA-N 1 1 414.503 0.894 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047996 1074076645 /nfs/dbraw/zinc/07/66/45/1074076645.db2.gz RBKHMNVTOHOTKI-NEPJUHHUSA-N 1 1 400.476 0.648 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047997 1074076804 /nfs/dbraw/zinc/07/68/04/1074076804.db2.gz RBKHMNVTOHOTKI-NWDGAFQWSA-N 1 1 400.476 0.648 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047998 1074076732 /nfs/dbraw/zinc/07/67/32/1074076732.db2.gz RBKHMNVTOHOTKI-RYUDHWBXSA-N 1 1 400.476 0.648 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606047999 1074076832 /nfs/dbraw/zinc/07/68/32/1074076832.db2.gz RBKHMNVTOHOTKI-VXGBXAGGSA-N 1 1 400.476 0.648 20 0 HCADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606057228 1074092891 /nfs/dbraw/zinc/09/28/91/1074092891.db2.gz GLYYAPDJOQJLHY-UHFFFAOYSA-N 1 1 400.476 0.744 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1)[NH+]1CCOCC1 ZINC000606058714 1074093368 /nfs/dbraw/zinc/09/33/68/1074093368.db2.gz ROSBXJJAOYSWTO-HNNXBMFYSA-N 1 1 424.523 0.170 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1)[NH+]1CCOCC1 ZINC000606058716 1074093517 /nfs/dbraw/zinc/09/35/17/1074093517.db2.gz ROSBXJJAOYSWTO-OAHLLOKOSA-N 1 1 424.523 0.170 20 0 HCADMO CCn1cc(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)ccc1=O ZINC000606060105 1074093787 /nfs/dbraw/zinc/09/37/87/1074093787.db2.gz OAFVTVPCNDFDNM-UHFFFAOYSA-N 1 1 412.494 0.530 20 0 HCADMO CCn1cc(NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1=O ZINC000606060564 1074094276 /nfs/dbraw/zinc/09/42/76/1074094276.db2.gz IGURHJOQDINUEF-CALCHBBNSA-N 1 1 403.527 0.824 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064507 1074080751 /nfs/dbraw/zinc/08/07/51/1074080751.db2.gz CNOOVSMIFWGUCF-HNNXBMFYSA-N 1 1 404.515 0.772 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000606064511 1074080701 /nfs/dbraw/zinc/08/07/01/1074080701.db2.gz CNOOVSMIFWGUCF-OAHLLOKOSA-N 1 1 404.515 0.772 20 0 HCADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000606065119 1074081194 /nfs/dbraw/zinc/08/11/94/1074081194.db2.gz KVRBUVWUNICBBP-GOSISDBHSA-N 1 1 417.510 0.667 20 0 HCADMO CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000606065121 1074081117 /nfs/dbraw/zinc/08/11/17/1074081117.db2.gz KVRBUVWUNICBBP-SFHVURJKSA-N 1 1 417.510 0.667 20 0 HCADMO Cn1ccnc1CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000606070049 1074082102 /nfs/dbraw/zinc/08/21/02/1074082102.db2.gz BFHYRPGHJQIUID-UHFFFAOYSA-N 1 1 410.478 0.962 20 0 HCADMO NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000606071776 1074083071 /nfs/dbraw/zinc/08/30/71/1074083071.db2.gz AUCOEIWHYWEPGD-INIZCTEOSA-N 1 1 413.478 0.246 20 0 HCADMO NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000606071783 1074083085 /nfs/dbraw/zinc/08/30/85/1074083085.db2.gz AUCOEIWHYWEPGD-MRXNPFEDSA-N 1 1 413.478 0.246 20 0 HCADMO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000606076817 1074085125 /nfs/dbraw/zinc/08/51/25/1074085125.db2.gz YAXZCWZLRSXPBS-INIZCTEOSA-N 1 1 408.524 0.807 20 0 HCADMO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000606076818 1074085259 /nfs/dbraw/zinc/08/52/59/1074085259.db2.gz YAXZCWZLRSXPBS-MRXNPFEDSA-N 1 1 408.524 0.807 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1)[NH+]1CCOCC1 ZINC000606077049 1074085307 /nfs/dbraw/zinc/08/53/07/1074085307.db2.gz AAWZJICUTIOXQR-AWEZNQCLSA-N 1 1 417.466 0.076 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1)[NH+]1CCOCC1 ZINC000606077050 1074085338 /nfs/dbraw/zinc/08/53/38/1074085338.db2.gz AAWZJICUTIOXQR-CQSZACIVSA-N 1 1 417.466 0.076 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606077116 1074086375 /nfs/dbraw/zinc/08/63/75/1074086375.db2.gz AZIWQWGGLSUONO-INIZCTEOSA-N 1 1 412.498 0.229 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC000606077118 1074086186 /nfs/dbraw/zinc/08/61/86/1074086186.db2.gz AZIWQWGGLSUONO-MRXNPFEDSA-N 1 1 412.498 0.229 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000606078309 1074086804 /nfs/dbraw/zinc/08/68/04/1074086804.db2.gz TVAQINLRNZXJBG-HNNXBMFYSA-N 1 1 424.523 0.996 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000606078310 1074087232 /nfs/dbraw/zinc/08/72/32/1074087232.db2.gz TVAQINLRNZXJBG-OAHLLOKOSA-N 1 1 424.523 0.996 20 0 HCADMO Cc1ncc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cn1 ZINC000606078690 1074086895 /nfs/dbraw/zinc/08/68/95/1074086895.db2.gz YSHGOQJLTZJTLI-KRWDZBQOSA-N 1 1 410.478 0.737 20 0 HCADMO Cc1ncc(NC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cn1 ZINC000606078691 1074086716 /nfs/dbraw/zinc/08/67/16/1074086716.db2.gz YSHGOQJLTZJTLI-QGZVFWFLSA-N 1 1 410.478 0.737 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000606078900 1074086663 /nfs/dbraw/zinc/08/66/63/1074086663.db2.gz CVJXZBRCEMCVRU-UHFFFAOYSA-N 1 1 404.515 0.460 20 0 HCADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)CC1 ZINC000606079134 1074087696 /nfs/dbraw/zinc/08/76/96/1074087696.db2.gz JKPJAXBFPSUMNJ-UHFFFAOYSA-N 1 1 414.510 0.695 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cnc(C)nc3)CC2)CC1 ZINC000606079817 1074087276 /nfs/dbraw/zinc/08/72/76/1074087276.db2.gz XGXCYHGCEAZJJB-UHFFFAOYSA-N 1 1 402.499 0.516 20 0 HCADMO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000606080121 1074087769 /nfs/dbraw/zinc/08/77/69/1074087769.db2.gz FBUKLZSHWYYMAX-UHFFFAOYSA-N 1 1 420.535 0.571 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1C ZINC000606080139 1074087863 /nfs/dbraw/zinc/08/78/63/1074087863.db2.gz GMCOZYSZEVZRDT-UHFFFAOYSA-N 1 1 414.553 0.860 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000606080162 1074088487 /nfs/dbraw/zinc/08/84/87/1074088487.db2.gz CMTPHZJHHBBRCV-AWEZNQCLSA-N 1 1 404.492 0.909 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000606080167 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/nfs/dbraw/zinc/09/25/64/1074092564.db2.gz QFYSVJCLYJNKOK-QGZVFWFLSA-N 1 1 401.511 0.846 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000606090526 1074092680 /nfs/dbraw/zinc/09/26/80/1074092680.db2.gz VUWPFBXVTMVZQA-INIZCTEOSA-N 1 1 415.473 0.583 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000606090529 1074092427 /nfs/dbraw/zinc/09/24/27/1074092427.db2.gz VUWPFBXVTMVZQA-MRXNPFEDSA-N 1 1 415.473 0.583 20 0 HCADMO COCCn1ncc2ccc(NC(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)cc21 ZINC000606090681 1074092384 /nfs/dbraw/zinc/09/23/84/1074092384.db2.gz XBQLRZDEVCADPJ-UHFFFAOYSA-N 1 1 417.510 0.926 20 0 HCADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606092413 1074110590 /nfs/dbraw/zinc/11/05/90/1074110590.db2.gz BCKQCYLMNJSXNI-GFCCVEGCSA-N 1 1 400.476 0.648 20 0 HCADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1 ZINC000606092414 1074110565 /nfs/dbraw/zinc/11/05/65/1074110565.db2.gz BCKQCYLMNJSXNI-LBPRGKRZSA-N 1 1 400.476 0.648 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C ZINC000606092422 1074110058 /nfs/dbraw/zinc/11/00/58/1074110058.db2.gz CNFPNBRUPKUUDI-UHFFFAOYSA-N 1 1 406.483 0.100 20 0 HCADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000606092490 1074110025 /nfs/dbraw/zinc/11/00/25/1074110025.db2.gz DPAFAHMBTVUSAJ-UHFFFAOYSA-N 1 1 402.451 0.912 20 0 HCADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000606092496 1074109895 /nfs/dbraw/zinc/10/98/95/1074109895.db2.gz FNLOIIGQUZCIIW-UHFFFAOYSA-N 1 1 415.494 0.507 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000606092621 1074109998 /nfs/dbraw/zinc/10/99/98/1074109998.db2.gz ISKHJSNVBGLAKG-PBHICJAKSA-N 1 1 424.523 0.168 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000606092638 1074110006 /nfs/dbraw/zinc/11/00/06/1074110006.db2.gz ISKHJSNVBGLAKG-RHSMWYFYSA-N 1 1 424.523 0.168 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000606092641 1074110146 /nfs/dbraw/zinc/11/01/46/1074110146.db2.gz ISKHJSNVBGLAKG-WMLDXEAASA-N 1 1 424.523 0.168 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000606092643 1074109872 /nfs/dbraw/zinc/10/98/72/1074109872.db2.gz ISKHJSNVBGLAKG-YOEHRIQHSA-N 1 1 424.523 0.168 20 0 HCADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000606093141 1074110700 /nfs/dbraw/zinc/11/07/00/1074110700.db2.gz QIXBQFFKCSNWDG-UHFFFAOYSA-N 1 1 401.511 0.980 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000606093485 1074111433 /nfs/dbraw/zinc/11/14/33/1074111433.db2.gz XCAINOCIXNYUPW-UHFFFAOYSA-N 1 1 400.476 0.792 20 0 HCADMO CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000606093577 1074111537 /nfs/dbraw/zinc/11/15/37/1074111537.db2.gz NZCVBYLGDFPAIE-GFCCVEGCSA-N 1 1 412.512 0.994 20 0 HCADMO 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C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3cccc(CO)c3)cc2)CC1 ZINC000606125005 1074108514 /nfs/dbraw/zinc/10/85/14/1074108514.db2.gz QUBNQFRZZWBJSE-UHFFFAOYSA-N 1 1 410.474 0.821 20 0 HCADMO Cc1ccc(NC(=O)C(=O)NCCn2cncn2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000606125679 1074136273 /nfs/dbraw/zinc/13/62/73/1074136273.db2.gz HUBPKWSMZXJDEO-UHFFFAOYSA-N 1 1 413.482 0.766 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1)[NH+]1CCOCC1 ZINC000606126672 1074139011 /nfs/dbraw/zinc/13/90/11/1074139011.db2.gz KLJAOFLJAHGCKT-HNNXBMFYSA-N 1 1 416.478 0.674 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1)[NH+]1CCOCC1 ZINC000606126674 1074139157 /nfs/dbraw/zinc/13/91/57/1074139157.db2.gz KLJAOFLJAHGCKT-OAHLLOKOSA-N 1 1 416.478 0.674 20 0 HCADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000606127106 1074137931 /nfs/dbraw/zinc/13/79/31/1074137931.db2.gz CLEQATDONSJJNA-IBGZPJMESA-N 1 1 418.538 0.810 20 0 HCADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000606127107 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GTSOKCQAIJYWJH-MRXNPFEDSA-N 1 1 403.483 0.722 20 0 HCADMO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000606128568 1074142013 /nfs/dbraw/zinc/14/20/13/1074142013.db2.gz HLCTUOGUDIHZGO-INIZCTEOSA-N 1 1 420.510 0.689 20 0 HCADMO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000606128752 1074141560 /nfs/dbraw/zinc/14/15/60/1074141560.db2.gz HLCTUOGUDIHZGO-MRXNPFEDSA-N 1 1 420.510 0.689 20 0 HCADMO CNC(=O)c1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1Cl ZINC000606128799 1074140982 /nfs/dbraw/zinc/14/09/82/1074140982.db2.gz JKVFPOMVTREXGW-AWEZNQCLSA-N 1 1 410.902 0.991 20 0 HCADMO CNC(=O)c1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1Cl ZINC000606128800 1074141071 /nfs/dbraw/zinc/14/10/71/1074141071.db2.gz JKVFPOMVTREXGW-CQSZACIVSA-N 1 1 410.902 0.991 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000606128815 1074141018 /nfs/dbraw/zinc/14/10/18/1074141018.db2.gz KFTNLPNCNNKYOV-KRWDZBQOSA-N 1 1 404.511 0.988 20 0 HCADMO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000606128816 1074140957 /nfs/dbraw/zinc/14/09/57/1074140957.db2.gz KFTNLPNCNNKYOV-QGZVFWFLSA-N 1 1 404.511 0.988 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CCOC)cc2)CC1 ZINC000606128902 1074141630 /nfs/dbraw/zinc/14/16/30/1074141630.db2.gz IROBRADTKHDORQ-NRFANRHFSA-N 1 1 420.510 0.307 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)CCOC)cc2)CC1 ZINC000606128903 1074141488 /nfs/dbraw/zinc/14/14/88/1074141488.db2.gz IROBRADTKHDORQ-OAQYLSRUSA-N 1 1 420.510 0.307 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1-n1cnnn1 ZINC000606129746 1074142733 /nfs/dbraw/zinc/14/27/33/1074142733.db2.gz RRPIEEGZDMDKMY-INIZCTEOSA-N 1 1 401.471 0.262 20 0 HCADMO Cc1cc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1-n1cnnn1 ZINC000606129749 1074142696 /nfs/dbraw/zinc/14/26/96/1074142696.db2.gz RRPIEEGZDMDKMY-MRXNPFEDSA-N 1 1 401.471 0.262 20 0 HCADMO Cc1c(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cccc1-n1cnnn1 ZINC000606129860 1074142676 /nfs/dbraw/zinc/14/26/76/1074142676.db2.gz UJQGUOPFAYRLLG-HNNXBMFYSA-N 1 1 401.471 0.262 20 0 HCADMO Cc1c(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cccc1-n1cnnn1 ZINC000606129862 1074142743 /nfs/dbraw/zinc/14/27/43/1074142743.db2.gz UJQGUOPFAYRLLG-OAHLLOKOSA-N 1 1 401.471 0.262 20 0 HCADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)C(=O)Nc1ccccc1Cn1cncn1 ZINC000606129930 1074142784 /nfs/dbraw/zinc/14/27/84/1074142784.db2.gz VBAWKBTXSWFTJO-KRWDZBQOSA-N 1 1 400.483 0.618 20 0 HCADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C(=O)Nc1ccccc1Cn1cncn1 ZINC000606129933 1074142724 /nfs/dbraw/zinc/14/27/24/1074142724.db2.gz VBAWKBTXSWFTJO-QGZVFWFLSA-N 1 1 400.483 0.618 20 0 HCADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000606130264 1074144258 /nfs/dbraw/zinc/14/42/58/1074144258.db2.gz XTFVDJIAUMXHHK-HNNXBMFYSA-N 1 1 411.524 0.690 20 0 HCADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000606130276 1074144367 /nfs/dbraw/zinc/14/43/67/1074144367.db2.gz XTFVDJIAUMXHHK-OAHLLOKOSA-N 1 1 411.524 0.690 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000606130307 1074144243 /nfs/dbraw/zinc/14/42/43/1074144243.db2.gz YQXBMPBOCODJLY-KRWDZBQOSA-N 1 1 401.471 0.262 20 0 HCADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000606130311 1074144294 /nfs/dbraw/zinc/14/42/94/1074144294.db2.gz YQXBMPBOCODJLY-QGZVFWFLSA-N 1 1 401.471 0.262 20 0 HCADMO COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000606130635 1074144277 /nfs/dbraw/zinc/14/42/77/1074144277.db2.gz LFKXYYKRCYFCFK-NRFANRHFSA-N 1 1 420.510 0.307 20 0 HCADMO COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000606130636 1074144345 /nfs/dbraw/zinc/14/43/45/1074144345.db2.gz LFKXYYKRCYFCFK-OAQYLSRUSA-N 1 1 420.510 0.307 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)C3CC3)cc2)CC1 ZINC000606130755 1074143664 /nfs/dbraw/zinc/14/36/64/1074143664.db2.gz RKOLFEKKOBXZRW-NRFANRHFSA-N 1 1 402.495 0.680 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C3CC3)cc2)CC1 ZINC000606130756 1074143543 /nfs/dbraw/zinc/14/35/43/1074143543.db2.gz RKOLFEKKOBXZRW-OAQYLSRUSA-N 1 1 402.495 0.680 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)C(C)C)cc2)CC1 ZINC000606130846 1074143170 /nfs/dbraw/zinc/14/31/70/1074143170.db2.gz CLUYYLJJLJPHIO-NRFANRHFSA-N 1 1 404.511 0.926 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)cc2)CC1 ZINC000606130847 1074143614 /nfs/dbraw/zinc/14/36/14/1074143614.db2.gz CLUYYLJJLJPHIO-OAQYLSRUSA-N 1 1 404.511 0.926 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1)[NH+]1CCOCC1 ZINC000606132840 1074146082 /nfs/dbraw/zinc/14/60/82/1074146082.db2.gz CZVJCZBMDAYRLG-AWEZNQCLSA-N 1 1 402.451 0.284 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1)[NH+]1CCOCC1 ZINC000606132842 1074145941 /nfs/dbraw/zinc/14/59/41/1074145941.db2.gz CZVJCZBMDAYRLG-CQSZACIVSA-N 1 1 402.451 0.284 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@](C)(O)C(C)C ZINC000606133855 1074147003 /nfs/dbraw/zinc/14/70/03/1074147003.db2.gz UCHOPOVHAUQWPD-NRFANRHFSA-N 1 1 420.510 0.545 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@](C)(O)C(C)C ZINC000606133859 1074147195 /nfs/dbraw/zinc/14/71/95/1074147195.db2.gz UCHOPOVHAUQWPD-OAQYLSRUSA-N 1 1 420.510 0.545 20 0 HCADMO CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000606133896 1074146512 /nfs/dbraw/zinc/14/65/12/1074146512.db2.gz UQMCCPDTFAGYAA-NRFANRHFSA-N 1 1 404.511 0.926 20 0 HCADMO CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000606133900 1074147158 /nfs/dbraw/zinc/14/71/58/1074147158.db2.gz UQMCCPDTFAGYAA-OAQYLSRUSA-N 1 1 404.511 0.926 20 0 HCADMO COc1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1Cl ZINC000606134680 1074129633 /nfs/dbraw/zinc/12/96/33/1074129633.db2.gz AXYNGVHEYSQLIO-UHFFFAOYSA-N 1 1 412.918 0.793 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1cc(Cl)ccc1F ZINC000606134687 1074129577 /nfs/dbraw/zinc/12/95/77/1074129577.db2.gz BKWTWXWGWJZDNR-UHFFFAOYSA-N 1 1 400.882 0.924 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCCN2C(=O)CCC2=O)C[C@H](C)O1 ZINC000606134814 1074129496 /nfs/dbraw/zinc/12/94/96/1074129496.db2.gz UURYIPJTBWYEQV-GASCZTMLSA-N 1 1 416.478 0.500 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCCN2C(=O)CCC2=O)C[C@H](C)O1 ZINC000606134814 1074129488 /nfs/dbraw/zinc/12/94/88/1074129488.db2.gz UURYIPJTBWYEQV-GASCZTMLSA-N 1 1 416.478 0.500 20 0 HCADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2C(=O)CCC2=O)C[C@H](C)O1 ZINC000606134817 1074129366 /nfs/dbraw/zinc/12/93/66/1074129366.db2.gz UURYIPJTBWYEQV-GJZGRUSLSA-N 1 1 416.478 0.500 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2C(=O)CCC2=O)C[C@@H](C)O1 ZINC000606134819 1074129445 /nfs/dbraw/zinc/12/94/45/1074129445.db2.gz UURYIPJTBWYEQV-HUUCEWRRSA-N 1 1 416.478 0.500 20 0 HCADMO COc1c(C)ccc(NC(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)c1C ZINC000606134834 1074129665 /nfs/dbraw/zinc/12/96/65/1074129665.db2.gz GCUBLBXKABVPEE-UHFFFAOYSA-N 1 1 406.527 0.757 20 0 HCADMO COc1ccc(Cl)cc1NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000606134894 1074129523 /nfs/dbraw/zinc/12/95/23/1074129523.db2.gz JEGBCWPHGCOCTC-UHFFFAOYSA-N 1 1 412.918 0.793 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc(Cl)cc1F ZINC000606134907 1074129035 /nfs/dbraw/zinc/12/90/35/1074129035.db2.gz JZCDFYWUPYXMMP-UHFFFAOYSA-N 1 1 400.882 0.924 20 0 HCADMO CC1(C)Oc2ccc(NC(=O)C(=O)NCCCCN3CC[NH+](CCO)CC3)cc2O1 ZINC000606134928 1074128970 /nfs/dbraw/zinc/12/89/70/1074128970.db2.gz MWVAQJVYBPUNSZ-UHFFFAOYSA-N 1 1 420.510 0.639 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1cc(F)c(F)cc1F ZINC000606135679 1074130784 /nfs/dbraw/zinc/13/07/84/1074130784.db2.gz QAOAXFWOWDRPEY-UHFFFAOYSA-N 1 1 402.417 0.549 20 0 HCADMO Cn1ccc2c1cccc2NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000606135693 1074130901 /nfs/dbraw/zinc/13/09/01/1074130901.db2.gz RYLULYCXDJLIGA-UHFFFAOYSA-N 1 1 401.511 0.623 20 0 HCADMO Cc1ccc(NC(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)c2cccnc12 ZINC000606135695 1074130767 /nfs/dbraw/zinc/13/07/67/1074130767.db2.gz RZWJKZDTYKZTAW-UHFFFAOYSA-N 1 1 413.522 0.988 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000606135722 1074130807 /nfs/dbraw/zinc/13/08/07/1074130807.db2.gz VEUPLABDRCMYGC-UHFFFAOYSA-N 1 1 400.882 0.924 20 0 HCADMO Cc1cc2cc(NC(=O)C(=O)NCCCCN3CC[NH+](CCO)CC3)ccc2[nH]1 ZINC000606135748 1074130927 /nfs/dbraw/zinc/13/09/27/1074130927.db2.gz WHMKKZHRZMCKHC-UHFFFAOYSA-N 1 1 401.511 0.921 20 0 HCADMO Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000606135755 1074130823 /nfs/dbraw/zinc/13/08/23/1074130823.db2.gz WOYCDKHIFSVINE-UHFFFAOYSA-N 1 1 405.543 0.506 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc(F)c(F)c1F ZINC000606135780 1074131249 /nfs/dbraw/zinc/13/12/49/1074131249.db2.gz WWOSGHVWGYEMBG-UHFFFAOYSA-N 1 1 402.417 0.549 20 0 HCADMO C[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)c2ccccc2O1 ZINC000606135785 1074130657 /nfs/dbraw/zinc/13/06/57/1074130657.db2.gz XANOZDNZKZKFES-KRWDZBQOSA-N 1 1 404.511 0.307 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)c2ccccc2O1 ZINC000606135789 1074130840 /nfs/dbraw/zinc/13/08/40/1074130840.db2.gz XANOZDNZKZKFES-QGZVFWFLSA-N 1 1 404.511 0.307 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000606135819 1074130627 /nfs/dbraw/zinc/13/06/27/1074130627.db2.gz YBTUEMZJKHHYOT-UHFFFAOYSA-N 1 1 404.511 0.456 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1cc(F)ccc1Cl ZINC000606135841 1074130743 /nfs/dbraw/zinc/13/07/43/1074130743.db2.gz YYNRTLQSKIRHLH-UHFFFAOYSA-N 1 1 400.882 0.924 20 0 HCADMO CCC[C@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000606135869 1074130701 /nfs/dbraw/zinc/13/07/01/1074130701.db2.gz WMGINYLAJNMUFR-NRFANRHFSA-N 1 1 420.510 0.689 20 0 HCADMO CCC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000606135870 1074130686 /nfs/dbraw/zinc/13/06/86/1074130686.db2.gz WMGINYLAJNMUFR-OAQYLSRUSA-N 1 1 420.510 0.689 20 0 HCADMO CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606135873 1074130728 /nfs/dbraw/zinc/13/07/28/1074130728.db2.gz WNYAREKGHCVLMX-NRFANRHFSA-N 1 1 404.511 0.609 20 0 HCADMO CCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606135875 1074130886 /nfs/dbraw/zinc/13/08/86/1074130886.db2.gz WNYAREKGHCVLMX-OAQYLSRUSA-N 1 1 404.511 0.609 20 0 HCADMO O=C(NCCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc(F)cc1Cl ZINC000606135898 1074130868 /nfs/dbraw/zinc/13/08/68/1074130868.db2.gz ZVRPNRQADLXIGR-UHFFFAOYSA-N 1 1 400.882 0.924 20 0 HCADMO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136652 1074132837 /nfs/dbraw/zinc/13/28/37/1074132837.db2.gz MTRHUJYWDHCUNM-BTYIYWSLSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136654 1074132865 /nfs/dbraw/zinc/13/28/65/1074132865.db2.gz MTRHUJYWDHCUNM-QVKFZJNVSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136655 1074132795 /nfs/dbraw/zinc/13/27/95/1074132795.db2.gz MTRHUJYWDHCUNM-VFNWGFHPSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136658 1074132843 /nfs/dbraw/zinc/13/28/43/1074132843.db2.gz MTRHUJYWDHCUNM-YCRPNKLZSA-N 1 1 404.511 0.926 20 0 HCADMO CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136929 1074131973 /nfs/dbraw/zinc/13/19/73/1074131973.db2.gz OGQXJBNSLNYQMX-AOMKIAJQSA-N 1 1 418.538 0.855 20 0 HCADMO CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136930 1074132770 /nfs/dbraw/zinc/13/27/70/1074132770.db2.gz OGQXJBNSLNYQMX-KSFYIVLOSA-N 1 1 418.538 0.855 20 0 HCADMO CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136931 1074132854 /nfs/dbraw/zinc/13/28/54/1074132854.db2.gz OGQXJBNSLNYQMX-OPAMFIHVSA-N 1 1 418.538 0.855 20 0 HCADMO CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000606136932 1074132861 /nfs/dbraw/zinc/13/28/61/1074132861.db2.gz OGQXJBNSLNYQMX-ZHRRBRCNSA-N 1 1 418.538 0.855 20 0 HCADMO O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606141068 1074133464 /nfs/dbraw/zinc/13/34/64/1074133464.db2.gz OSYGXFROHCCFFN-IBGZPJMESA-N 1 1 405.495 0.404 20 0 HCADMO O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000606141069 1074133374 /nfs/dbraw/zinc/13/33/74/1074133374.db2.gz OSYGXFROHCCFFN-LJQANCHMSA-N 1 1 405.495 0.404 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606142725 1074134486 /nfs/dbraw/zinc/13/44/86/1074134486.db2.gz WZEWKBJVSZJPRC-BEFAXECRSA-N 1 1 405.495 0.922 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606142728 1074134469 /nfs/dbraw/zinc/13/44/69/1074134469.db2.gz WZEWKBJVSZJPRC-DNVCBOLYSA-N 1 1 405.495 0.922 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606142730 1074134635 /nfs/dbraw/zinc/13/46/35/1074134635.db2.gz WZEWKBJVSZJPRC-HNAYVOBHSA-N 1 1 405.495 0.922 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000606142732 1074134390 /nfs/dbraw/zinc/13/43/90/1074134390.db2.gz WZEWKBJVSZJPRC-KXBFYZLASA-N 1 1 405.495 0.922 20 0 HCADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606163323 1074149407 /nfs/dbraw/zinc/14/94/07/1074149407.db2.gz HSVRDUYRQQAUNO-INIZCTEOSA-N 1 1 407.474 0.945 20 0 HCADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606163324 1074149359 /nfs/dbraw/zinc/14/93/59/1074149359.db2.gz HSVRDUYRQQAUNO-MRXNPFEDSA-N 1 1 407.474 0.945 20 0 HCADMO Cc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606165931 1074149707 /nfs/dbraw/zinc/14/97/07/1074149707.db2.gz PCNZPVJMVLPGGX-UHFFFAOYSA-N 1 1 421.501 0.941 20 0 HCADMO 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/nfs/dbraw/zinc/17/44/06/1074174406.db2.gz VRTFCDCHSTUQDI-UHFFFAOYSA-N 1 1 402.499 0.301 20 0 HCADMO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606412346 1074169045 /nfs/dbraw/zinc/16/90/45/1074169045.db2.gz MLXPHTWUWJWDGO-UHFFFAOYSA-N 1 1 422.507 0.719 20 0 HCADMO CC(=O)NCCNC(=O)CCC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000606419165 1074169720 /nfs/dbraw/zinc/16/97/20/1074169720.db2.gz OOTAOPDDJBSNJQ-UHFFFAOYSA-N 1 1 403.527 0.300 20 0 HCADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000606419397 1074169485 /nfs/dbraw/zinc/16/94/85/1074169485.db2.gz XBJPWWZCXZTMPD-UHFFFAOYSA-N 1 1 409.556 0.183 20 0 HCADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000606419559 1074170375 /nfs/dbraw/zinc/17/03/75/1074170375.db2.gz HXBMOQJRGHKFRF-UHFFFAOYSA-N 1 1 422.489 0.928 20 0 HCADMO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000606419578 1074170394 /nfs/dbraw/zinc/17/03/94/1074170394.db2.gz JLYMBSDWKCBWCJ-FQEVSTJZSA-N 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/nfs/dbraw/zinc/20/53/90/1074205390.db2.gz RALMBSZSSRHGKH-OAHLLOKOSA-N 1 1 405.499 0.006 20 0 HCADMO COCCN1CC[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704728 1074205298 /nfs/dbraw/zinc/20/52/98/1074205298.db2.gz GKJXHPFETHJVLK-IBGZPJMESA-N 1 1 409.575 0.731 20 0 HCADMO COCCN1CC[C@@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)C1 ZINC000606704729 1074205479 /nfs/dbraw/zinc/20/54/79/1074205479.db2.gz GKJXHPFETHJVLK-LJQANCHMSA-N 1 1 409.575 0.731 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000606704828 1074205522 /nfs/dbraw/zinc/20/55/22/1074205522.db2.gz SRLOQAJMQOABLF-KRWDZBQOSA-N 1 1 421.517 0.603 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000606704829 1074205403 /nfs/dbraw/zinc/20/54/03/1074205403.db2.gz SRLOQAJMQOABLF-QGZVFWFLSA-N 1 1 421.517 0.603 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000606714834 1074213458 /nfs/dbraw/zinc/21/34/58/1074213458.db2.gz BCVCOOMNWGOYNA-HOTGVXAUSA-N 1 1 402.495 0.925 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000606714835 1074213398 /nfs/dbraw/zinc/21/33/98/1074213398.db2.gz BCVCOOMNWGOYNA-HZPDHXFCSA-N 1 1 402.495 0.925 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000606714836 1074213256 /nfs/dbraw/zinc/21/32/56/1074213256.db2.gz BCVCOOMNWGOYNA-IYBDPMFKSA-N 1 1 402.495 0.925 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000606714836 1074213242 /nfs/dbraw/zinc/21/32/42/1074213242.db2.gz BCVCOOMNWGOYNA-IYBDPMFKSA-N 1 1 402.495 0.925 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000606715072 1074213519 /nfs/dbraw/zinc/21/35/19/1074213519.db2.gz TVOCQWGHBLNJIY-AABGKKOBSA-N 1 1 423.602 0.977 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000606715077 1074213275 /nfs/dbraw/zinc/21/32/75/1074213275.db2.gz TVOCQWGHBLNJIY-AQNXPRMDSA-N 1 1 423.602 0.977 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000606715078 1074213493 /nfs/dbraw/zinc/21/34/93/1074213493.db2.gz TVOCQWGHBLNJIY-HSALFYBXSA-N 1 1 423.602 0.977 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)C[NH+]1CCOCC1 ZINC000606715079 1074213300 /nfs/dbraw/zinc/21/33/00/1074213300.db2.gz TVOCQWGHBLNJIY-VAMGGRTRSA-N 1 1 423.602 0.977 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000606715180 1074213212 /nfs/dbraw/zinc/21/32/12/1074213212.db2.gz KSDYVMFIXDELCD-GOSISDBHSA-N 1 1 403.527 0.921 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000606715184 1074213356 /nfs/dbraw/zinc/21/33/56/1074213356.db2.gz KSDYVMFIXDELCD-SFHVURJKSA-N 1 1 403.527 0.921 20 0 HCADMO C[C@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000606715428 1074213419 /nfs/dbraw/zinc/21/34/19/1074213419.db2.gz BPLTYSCRIDEQLY-MSOLQXFVSA-N 1 1 409.575 0.729 20 0 HCADMO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000606715431 1074213407 /nfs/dbraw/zinc/21/34/07/1074213407.db2.gz BPLTYSCRIDEQLY-QZTJIDSGSA-N 1 1 409.575 0.729 20 0 HCADMO C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000606715432 1074213445 /nfs/dbraw/zinc/21/34/45/1074213445.db2.gz BPLTYSCRIDEQLY-ROUUACIJSA-N 1 1 409.575 0.729 20 0 HCADMO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000606715433 1074213384 /nfs/dbraw/zinc/21/33/84/1074213384.db2.gz BPLTYSCRIDEQLY-ZWKOTPCHSA-N 1 1 409.575 0.729 20 0 HCADMO C[C@@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C[NH+]1CCOCC1 ZINC000606715964 1074214158 /nfs/dbraw/zinc/21/41/58/1074214158.db2.gz HSBOMEVLRSIVCG-INIZCTEOSA-N 1 1 406.531 0.540 20 0 HCADMO C[C@H](CNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C[NH+]1CCOCC1 ZINC000606715966 1074213863 /nfs/dbraw/zinc/21/38/63/1074213863.db2.gz HSBOMEVLRSIVCG-MRXNPFEDSA-N 1 1 406.531 0.540 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606716832 1074214718 /nfs/dbraw/zinc/21/47/18/1074214718.db2.gz BXOSFPKCKAENHA-GASCZTMLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606716832 1074214713 /nfs/dbraw/zinc/21/47/13/1074214713.db2.gz BXOSFPKCKAENHA-GASCZTMLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606716843 1074214604 /nfs/dbraw/zinc/21/46/04/1074214604.db2.gz BXOSFPKCKAENHA-GJZGRUSLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606716844 1074214531 /nfs/dbraw/zinc/21/45/31/1074214531.db2.gz BXOSFPKCKAENHA-HUUCEWRRSA-N 1 1 406.483 0.113 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000606717447 1074214132 /nfs/dbraw/zinc/21/41/32/1074214132.db2.gz ZDFBVOTYTNANNM-GOSISDBHSA-N 1 1 424.567 0.979 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000606717459 1074214047 /nfs/dbraw/zinc/21/40/47/1074214047.db2.gz ZDFBVOTYTNANNM-SFHVURJKSA-N 1 1 424.567 0.979 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717475 1074214103 /nfs/dbraw/zinc/21/41/03/1074214103.db2.gz DMIBOLYERREDMR-GOSISDBHSA-N 1 1 409.575 0.731 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717477 1074213892 /nfs/dbraw/zinc/21/38/92/1074213892.db2.gz DMIBOLYERREDMR-SFHVURJKSA-N 1 1 409.575 0.731 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717509 1074213873 /nfs/dbraw/zinc/21/38/73/1074213873.db2.gz ZYYQDHHOPOVGQG-IBGZPJMESA-N 1 1 409.575 0.685 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C[NH+]1CCOCC1 ZINC000606717523 1074214080 /nfs/dbraw/zinc/21/40/80/1074214080.db2.gz ZYYQDHHOPOVGQG-LJQANCHMSA-N 1 1 409.575 0.685 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000606717847 1074215306 /nfs/dbraw/zinc/21/53/06/1074215306.db2.gz YVDQKHNIZFDGEL-IBGZPJMESA-N 1 1 417.554 0.598 20 0 HCADMO C[C@H](CNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000606717893 1074215216 /nfs/dbraw/zinc/21/52/16/1074215216.db2.gz YVDQKHNIZFDGEL-LJQANCHMSA-N 1 1 417.554 0.598 20 0 HCADMO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCOCC1 ZINC000606718401 1074214626 /nfs/dbraw/zinc/21/46/26/1074214626.db2.gz KRXSZOBAPMDGLR-INIZCTEOSA-N 1 1 411.528 0.066 20 0 HCADMO C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)C[NH+]1CCOCC1 ZINC000606718403 1074214655 /nfs/dbraw/zinc/21/46/55/1074214655.db2.gz KRXSZOBAPMDGLR-MRXNPFEDSA-N 1 1 411.528 0.066 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c2)C[C@H](C)O1 ZINC000606718544 1074214559 /nfs/dbraw/zinc/21/45/59/1074214559.db2.gz NDZOAXSVPVPYDY-GASCZTMLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c2)C[C@H](C)O1 ZINC000606718544 1074214548 /nfs/dbraw/zinc/21/45/48/1074214548.db2.gz NDZOAXSVPVPYDY-GASCZTMLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c2)C[C@H](C)O1 ZINC000606718545 1074214738 /nfs/dbraw/zinc/21/47/38/1074214738.db2.gz NDZOAXSVPVPYDY-GJZGRUSLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(C(N)=O)CC3)c2)C[C@@H](C)O1 ZINC000606718546 1074214678 /nfs/dbraw/zinc/21/46/78/1074214678.db2.gz NDZOAXSVPVPYDY-HUUCEWRRSA-N 1 1 402.495 0.958 20 0 HCADMO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606723113 1074215987 /nfs/dbraw/zinc/21/59/87/1074215987.db2.gz NQBARVSZVLSAMB-DAYGRLMNSA-N 1 1 402.495 0.971 20 0 HCADMO CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606723113 1074215982 /nfs/dbraw/zinc/21/59/82/1074215982.db2.gz NQBARVSZVLSAMB-DAYGRLMNSA-N 1 1 402.495 0.971 20 0 HCADMO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606723119 1074215976 /nfs/dbraw/zinc/21/59/76/1074215976.db2.gz NQBARVSZVLSAMB-IIDMSEBBSA-N 1 1 402.495 0.971 20 0 HCADMO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606723121 1074215958 /nfs/dbraw/zinc/21/59/58/1074215958.db2.gz NQBARVSZVLSAMB-RLFYNMQTSA-N 1 1 402.495 0.971 20 0 HCADMO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606723122 1074215862 /nfs/dbraw/zinc/21/58/62/1074215862.db2.gz NQBARVSZVLSAMB-RVKKMQEKSA-N 1 1 402.495 0.971 20 0 HCADMO CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606723122 1074215851 /nfs/dbraw/zinc/21/58/51/1074215851.db2.gz NQBARVSZVLSAMB-RVKKMQEKSA-N 1 1 402.495 0.971 20 0 HCADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000606724511 1074216288 /nfs/dbraw/zinc/21/62/88/1074216288.db2.gz VXELRSDPQUZRED-CYBMUJFWSA-N 1 1 412.512 0.485 20 0 HCADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000606724512 1074216380 /nfs/dbraw/zinc/21/63/80/1074216380.db2.gz VXELRSDPQUZRED-ZDUSSCGKSA-N 1 1 412.512 0.485 20 0 HCADMO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724920 1074216552 /nfs/dbraw/zinc/21/65/52/1074216552.db2.gz AIZRHFZIFSEXAY-FUHIMQAGSA-N 1 1 417.554 0.596 20 0 HCADMO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724921 1074216418 /nfs/dbraw/zinc/21/64/18/1074216418.db2.gz AIZRHFZIFSEXAY-HLIPFELVSA-N 1 1 417.554 0.596 20 0 HCADMO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2)C[C@@H](C)O1 ZINC000606724922 1074216320 /nfs/dbraw/zinc/21/63/20/1074216320.db2.gz AIZRHFZIFSEXAY-MBOZVWFJSA-N 1 1 417.554 0.596 20 0 HCADMO C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2)C[C@H](C)O1 ZINC000606724923 1074217221 /nfs/dbraw/zinc/21/72/21/1074217221.db2.gz AIZRHFZIFSEXAY-QKLQHJQFSA-N 1 1 417.554 0.596 20 0 HCADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000606724950 1074217250 /nfs/dbraw/zinc/21/72/50/1074217250.db2.gz AZJOWQYGYFLYJX-UHFFFAOYSA-N 1 1 412.512 0.485 20 0 HCADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)CC ZINC000606725072 1074216653 /nfs/dbraw/zinc/21/66/53/1074216653.db2.gz DVAGQFURUUOXFG-UHFFFAOYSA-N 1 1 400.501 0.342 20 0 HCADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725649 1074216307 /nfs/dbraw/zinc/21/63/07/1074216307.db2.gz LXDLNZSZMNVIFI-ILXRZTDVSA-N 1 1 411.524 0.784 20 0 HCADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606725650 1074216359 /nfs/dbraw/zinc/21/63/59/1074216359.db2.gz LXDLNZSZMNVIFI-KFWWJZLASA-N 1 1 411.524 0.784 20 0 HCADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606725650 1074216351 /nfs/dbraw/zinc/21/63/51/1074216351.db2.gz LXDLNZSZMNVIFI-KFWWJZLASA-N 1 1 411.524 0.784 20 0 HCADMO C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725651 1074216470 /nfs/dbraw/zinc/21/64/70/1074216470.db2.gz LXDLNZSZMNVIFI-RBSFLKMASA-N 1 1 411.524 0.784 20 0 HCADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606725652 1074216626 /nfs/dbraw/zinc/21/66/26/1074216626.db2.gz LXDLNZSZMNVIFI-SOUVJXGZSA-N 1 1 411.524 0.784 20 0 HCADMO C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606725652 1074216620 /nfs/dbraw/zinc/21/66/20/1074216620.db2.gz LXDLNZSZMNVIFI-SOUVJXGZSA-N 1 1 411.524 0.784 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606725882 1074217160 /nfs/dbraw/zinc/21/71/60/1074217160.db2.gz QIROPUGZIRBCOB-IAGOWNOFSA-N 1 1 406.527 0.929 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606725884 1074216945 /nfs/dbraw/zinc/21/69/45/1074216945.db2.gz QIROPUGZIRBCOB-IRXDYDNUSA-N 1 1 406.527 0.929 20 0 HCADMO CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000606726094 1074217011 /nfs/dbraw/zinc/21/70/11/1074217011.db2.gz ROHFPVZBLZCILS-UHFFFAOYSA-N 1 1 414.528 0.731 20 0 HCADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606726368 1074217264 /nfs/dbraw/zinc/21/72/64/1074217264.db2.gz CTFKECZXDLFRHR-KBPBESRZSA-N 1 1 412.512 0.029 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606726376 1074217255 /nfs/dbraw/zinc/21/72/55/1074217255.db2.gz CTFKECZXDLFRHR-OKILXGFUSA-N 1 1 412.512 0.029 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)C[C@H](C)O1 ZINC000606726376 1074217254 /nfs/dbraw/zinc/21/72/54/1074217254.db2.gz CTFKECZXDLFRHR-OKILXGFUSA-N 1 1 412.512 0.029 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)C[C@@H](C)O1 ZINC000606726377 1074217102 /nfs/dbraw/zinc/21/71/02/1074217102.db2.gz CTFKECZXDLFRHR-ZIAGYGMSSA-N 1 1 412.512 0.029 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c2)C[C@H](C)O1 ZINC000606726426 1074217283 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ZINC000606749691 1074221778 /nfs/dbraw/zinc/22/17/78/1074221778.db2.gz COTLDCYZHGFQBG-AWEZNQCLSA-N 1 1 417.466 0.980 20 0 HCADMO Cc1nc(COc2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc2)no1 ZINC000606749694 1074221567 /nfs/dbraw/zinc/22/15/67/1074221567.db2.gz COTLDCYZHGFQBG-CQSZACIVSA-N 1 1 417.466 0.980 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C[NH+]1CCOCC1 ZINC000606749739 1074221076 /nfs/dbraw/zinc/22/10/76/1074221076.db2.gz DLGYPBONACQLEW-HNNXBMFYSA-N 1 1 424.523 0.250 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1)C[NH+]1CCOCC1 ZINC000606749740 1074221056 /nfs/dbraw/zinc/22/10/56/1074221056.db2.gz DLGYPBONACQLEW-OAHLLOKOSA-N 1 1 424.523 0.250 20 0 HCADMO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1N1CCCC1=O ZINC000606749792 1074222963 /nfs/dbraw/zinc/22/29/63/1074222963.db2.gz FDPQHKZOCAJMLE-HNNXBMFYSA-N 1 1 418.494 0.845 20 0 HCADMO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1N1CCCC1=O ZINC000606749793 1074222733 /nfs/dbraw/zinc/22/27/33/1074222733.db2.gz FDPQHKZOCAJMLE-OAHLLOKOSA-N 1 1 418.494 0.845 20 0 HCADMO COc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000606749940 1074224094 /nfs/dbraw/zinc/22/40/94/1074224094.db2.gz PZQWJZMBRLMARX-OAHLLOKOSA-N 1 1 418.494 0.845 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000606749949 1074224315 /nfs/dbraw/zinc/22/43/15/1074224315.db2.gz QPGWENOZHILCJC-INIZCTEOSA-N 1 1 418.494 0.182 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)C[NH+]1CCOCC1 ZINC000606749951 1074224520 /nfs/dbraw/zinc/22/45/20/1074224520.db2.gz QPGWENOZHILCJC-MRXNPFEDSA-N 1 1 418.494 0.182 20 0 HCADMO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000606749967 1074224404 /nfs/dbraw/zinc/22/44/04/1074224404.db2.gz RUVJHMVUZPYYIF-CABCVRRESA-N 1 1 406.483 0.683 20 0 HCADMO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000606749969 1074224505 /nfs/dbraw/zinc/22/45/05/1074224505.db2.gz RUVJHMVUZPYYIF-GJZGRUSLSA-N 1 1 406.483 0.683 20 0 HCADMO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000606749970 1074224480 /nfs/dbraw/zinc/22/44/80/1074224480.db2.gz RUVJHMVUZPYYIF-HUUCEWRRSA-N 1 1 406.483 0.683 20 0 HCADMO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000606749971 1074224287 /nfs/dbraw/zinc/22/42/87/1074224287.db2.gz RUVJHMVUZPYYIF-LSDHHAIUSA-N 1 1 406.483 0.683 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)C[NH+]1CCOCC1 ZINC000606749988 1074224218 /nfs/dbraw/zinc/22/42/18/1074224218.db2.gz SIGRKWCAWKUTMF-AWEZNQCLSA-N 1 1 413.482 0.698 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)C[NH+]1CCOCC1 ZINC000606749989 1074224424 /nfs/dbraw/zinc/22/44/24/1074224424.db2.gz SIGRKWCAWKUTMF-CQSZACIVSA-N 1 1 413.482 0.698 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C[NH+]1CCOCC1 ZINC000606750007 1074224125 /nfs/dbraw/zinc/22/41/25/1074224125.db2.gz TXVBABZYFHZZAA-HNNXBMFYSA-N 1 1 406.483 0.177 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(OCC(=O)N(C)C)c1)C[NH+]1CCOCC1 ZINC000606750010 1074223424 /nfs/dbraw/zinc/22/34/24/1074223424.db2.gz TXVBABZYFHZZAA-OAHLLOKOSA-N 1 1 406.483 0.177 20 0 HCADMO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606750041 1074223566 /nfs/dbraw/zinc/22/35/66/1074223566.db2.gz UJZGDBQFCSUKEN-AWEZNQCLSA-N 1 1 406.483 0.420 20 0 HCADMO COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000606750042 1074223654 /nfs/dbraw/zinc/22/36/54/1074223654.db2.gz UJZGDBQFCSUKEN-CQSZACIVSA-N 1 1 406.483 0.420 20 0 HCADMO CCn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000606750050 1074223705 /nfs/dbraw/zinc/22/37/05/1074223705.db2.gz UXCXHJPSRIVQOV-HNNXBMFYSA-N 1 1 400.483 0.988 20 0 HCADMO CCn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000606750051 1074223666 /nfs/dbraw/zinc/22/36/66/1074223666.db2.gz UXCXHJPSRIVQOV-OAHLLOKOSA-N 1 1 400.483 0.988 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C[NH+]1CCOCC1 ZINC000606750099 1074223645 /nfs/dbraw/zinc/22/36/45/1074223645.db2.gz HAOOMOUECGTBJA-HNNXBMFYSA-N 1 1 416.478 0.359 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O)C[NH+]1CCOCC1 ZINC000606750104 1074223495 /nfs/dbraw/zinc/22/34/95/1074223495.db2.gz HAOOMOUECGTBJA-OAHLLOKOSA-N 1 1 416.478 0.359 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1)C[NH+]1CCOCC1 ZINC000606750125 1074224341 /nfs/dbraw/zinc/22/43/41/1074224341.db2.gz HVDWMNMXQINZQB-INIZCTEOSA-N 1 1 402.495 0.946 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1)C[NH+]1CCOCC1 ZINC000606750126 1074224183 /nfs/dbraw/zinc/22/41/83/1074224183.db2.gz HVDWMNMXQINZQB-MRXNPFEDSA-N 1 1 402.495 0.946 20 0 HCADMO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606750146 1074224247 /nfs/dbraw/zinc/22/42/47/1074224247.db2.gz JSNTZIKOJASIDB-AWEZNQCLSA-N 1 1 411.524 0.563 20 0 HCADMO Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000606750147 1074224453 /nfs/dbraw/zinc/22/44/53/1074224453.db2.gz JSNTZIKOJASIDB-CQSZACIVSA-N 1 1 411.524 0.563 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)C[NH+]1CCOCC1 ZINC000606750150 1074224382 /nfs/dbraw/zinc/22/43/82/1074224382.db2.gz KDQCSAHDOZHTTA-AWEZNQCLSA-N 1 1 408.524 0.677 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC(N)=O)C[NH+]1CCOCC1 ZINC000606750151 1074224163 /nfs/dbraw/zinc/22/41/63/1074224163.db2.gz KDQCSAHDOZHTTA-CQSZACIVSA-N 1 1 408.524 0.677 20 0 HCADMO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606750185 1074223679 /nfs/dbraw/zinc/22/36/79/1074223679.db2.gz LNNFDFDARDNPRP-AWEZNQCLSA-N 1 1 402.495 0.910 20 0 HCADMO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000606750186 1074223754 /nfs/dbraw/zinc/22/37/54/1074223754.db2.gz LNNFDFDARDNPRP-CQSZACIVSA-N 1 1 402.495 0.910 20 0 HCADMO CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000606750207 1074223520 /nfs/dbraw/zinc/22/35/20/1074223520.db2.gz WVZASDMBMIHGGV-HNNXBMFYSA-N 1 1 406.483 0.225 20 0 HCADMO CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000606750208 1074223735 /nfs/dbraw/zinc/22/37/35/1074223735.db2.gz WVZASDMBMIHGGV-OAHLLOKOSA-N 1 1 406.483 0.225 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)C[NH+]1CCOCC1 ZINC000606750324 1074222979 /nfs/dbraw/zinc/22/29/79/1074222979.db2.gz MKHVMKPSFGJBNM-AWEZNQCLSA-N 1 1 417.466 0.108 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)C[NH+]1CCOCC1 ZINC000606750327 1074223673 /nfs/dbraw/zinc/22/36/73/1074223673.db2.gz MKHVMKPSFGJBNM-CQSZACIVSA-N 1 1 417.466 0.108 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000606750335 1074223543 /nfs/dbraw/zinc/22/35/43/1074223543.db2.gz MNFLLFMJCBNUMS-HNNXBMFYSA-N 1 1 408.474 0.685 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000606750337 1074223714 /nfs/dbraw/zinc/22/37/14/1074223714.db2.gz MNFLLFMJCBNUMS-OAHLLOKOSA-N 1 1 408.474 0.685 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)C[NH+]1CCOCC1 ZINC000606750450 1074222870 /nfs/dbraw/zinc/22/28/70/1074222870.db2.gz RXXCCUPVOMMPSH-INIZCTEOSA-N 1 1 413.478 0.315 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1)C[NH+]1CCOCC1 ZINC000606750451 1074223076 /nfs/dbraw/zinc/22/30/76/1074223076.db2.gz RXXCCUPVOMMPSH-MRXNPFEDSA-N 1 1 413.478 0.315 20 0 HCADMO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000606750505 1074222793 /nfs/dbraw/zinc/22/27/93/1074222793.db2.gz UEVLEEJICMNOAV-INIZCTEOSA-N 1 1 404.511 0.855 20 0 HCADMO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000606750506 1074222899 /nfs/dbraw/zinc/22/28/99/1074222899.db2.gz UEVLEEJICMNOAV-MRXNPFEDSA-N 1 1 404.511 0.855 20 0 HCADMO COc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1-n1nnnc1C ZINC000606750529 1074222711 /nfs/dbraw/zinc/22/27/11/1074222711.db2.gz VJKOJFLGCLMMTA-CYBMUJFWSA-N 1 1 417.470 0.002 20 0 HCADMO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1-n1nnnc1C ZINC000606750530 1074222690 /nfs/dbraw/zinc/22/26/90/1074222690.db2.gz VJKOJFLGCLMMTA-ZDUSSCGKSA-N 1 1 417.470 0.002 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)C[NH+]1CCOCC1 ZINC000606750535 1074223044 /nfs/dbraw/zinc/22/30/44/1074223044.db2.gz VQPNPOCLJGFFRE-INIZCTEOSA-N 1 1 402.495 0.832 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)C[NH+]1CCOCC1 ZINC000606750536 1074222940 /nfs/dbraw/zinc/22/29/40/1074222940.db2.gz VQPNPOCLJGFFRE-MRXNPFEDSA-N 1 1 402.495 0.832 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)C[NH+]1CCOCC1 ZINC000606750539 1074222855 /nfs/dbraw/zinc/22/28/55/1074222855.db2.gz VSLHSEZUJRPTJN-HNNXBMFYSA-N 1 1 413.478 0.674 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1)C[NH+]1CCOCC1 ZINC000606750540 1074222815 /nfs/dbraw/zinc/22/28/15/1074222815.db2.gz VSLHSEZUJRPTJN-OAHLLOKOSA-N 1 1 413.478 0.674 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C[NH+]1CCOCC1 ZINC000606750579 1074222913 /nfs/dbraw/zinc/22/29/13/1074222913.db2.gz XLWZHYZXGNUYOM-HNNXBMFYSA-N 1 1 416.478 0.359 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)C[NH+]1CCOCC1 ZINC000606750580 1074223100 /nfs/dbraw/zinc/22/31/00/1074223100.db2.gz XLWZHYZXGNUYOM-OAHLLOKOSA-N 1 1 416.478 0.359 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C[NH+]1CCOCC1 ZINC000606750630 1074222832 /nfs/dbraw/zinc/22/28/32/1074222832.db2.gz ZQBVLOJHUXCTTO-HNNXBMFYSA-N 1 1 406.483 0.177 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1)C[NH+]1CCOCC1 ZINC000606750631 1074223118 /nfs/dbraw/zinc/22/31/18/1074223118.db2.gz ZQBVLOJHUXCTTO-OAHLLOKOSA-N 1 1 406.483 0.177 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000606751965 1074225335 /nfs/dbraw/zinc/22/53/35/1074225335.db2.gz DVBGOMWDIWIKIO-KRWDZBQOSA-N 1 1 408.524 0.964 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000606751965 1074225312 /nfs/dbraw/zinc/22/53/12/1074225312.db2.gz DVBGOMWDIWIKIO-KRWDZBQOSA-N 1 1 408.524 0.964 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000606751966 1074225567 /nfs/dbraw/zinc/22/55/67/1074225567.db2.gz DVBGOMWDIWIKIO-QGZVFWFLSA-N 1 1 408.524 0.964 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000606751966 1074225562 /nfs/dbraw/zinc/22/55/62/1074225562.db2.gz DVBGOMWDIWIKIO-QGZVFWFLSA-N 1 1 408.524 0.964 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000606752772 1074225709 /nfs/dbraw/zinc/22/57/09/1074225709.db2.gz MXLOOKDAWDQRSI-GOSISDBHSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000606752772 1074225694 /nfs/dbraw/zinc/22/56/94/1074225694.db2.gz MXLOOKDAWDQRSI-GOSISDBHSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000606752784 1074226545 /nfs/dbraw/zinc/22/65/45/1074226545.db2.gz MXLOOKDAWDQRSI-SFHVURJKSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000606752784 1074226536 /nfs/dbraw/zinc/22/65/36/1074226536.db2.gz MXLOOKDAWDQRSI-SFHVURJKSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000606753052 1074225740 /nfs/dbraw/zinc/22/57/40/1074225740.db2.gz PUKKVWAJFSYYRC-GOSISDBHSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000606753052 1074225732 /nfs/dbraw/zinc/22/57/32/1074225732.db2.gz PUKKVWAJFSYYRC-GOSISDBHSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000606753053 1074226519 /nfs/dbraw/zinc/22/65/19/1074226519.db2.gz PUKKVWAJFSYYRC-SFHVURJKSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000606753053 1074226509 /nfs/dbraw/zinc/22/65/09/1074226509.db2.gz PUKKVWAJFSYYRC-SFHVURJKSA-N 1 1 402.495 0.896 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000606753249 1074225505 /nfs/dbraw/zinc/22/55/05/1074225505.db2.gz BXBSRBYNECXGDE-IBGZPJMESA-N 1 1 416.522 0.825 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000606753249 1074225497 /nfs/dbraw/zinc/22/54/97/1074225497.db2.gz BXBSRBYNECXGDE-IBGZPJMESA-N 1 1 416.522 0.825 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000606753251 1074225673 /nfs/dbraw/zinc/22/56/73/1074225673.db2.gz BXBSRBYNECXGDE-LJQANCHMSA-N 1 1 416.522 0.825 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000606753251 1074225666 /nfs/dbraw/zinc/22/56/66/1074225666.db2.gz BXBSRBYNECXGDE-LJQANCHMSA-N 1 1 416.522 0.825 20 0 HCADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000606753267 1074225877 /nfs/dbraw/zinc/22/58/77/1074225877.db2.gz CSFGUAVJAMMCTK-IBGZPJMESA-N 1 1 415.538 0.811 20 0 HCADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000606753267 1074225864 /nfs/dbraw/zinc/22/58/64/1074225864.db2.gz CSFGUAVJAMMCTK-IBGZPJMESA-N 1 1 415.538 0.811 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000606753268 1074225437 /nfs/dbraw/zinc/22/54/37/1074225437.db2.gz CSFGUAVJAMMCTK-LJQANCHMSA-N 1 1 415.538 0.811 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000606753268 1074225423 /nfs/dbraw/zinc/22/54/23/1074225423.db2.gz CSFGUAVJAMMCTK-LJQANCHMSA-N 1 1 415.538 0.811 20 0 HCADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000606753559 1074225823 /nfs/dbraw/zinc/22/58/23/1074225823.db2.gz SVKSXCQIWZPFFT-GOSISDBHSA-N 1 1 422.551 0.659 20 0 HCADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000606753559 1074225804 /nfs/dbraw/zinc/22/58/04/1074225804.db2.gz SVKSXCQIWZPFFT-GOSISDBHSA-N 1 1 422.551 0.659 20 0 HCADMO 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C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372346 1074322291 /nfs/dbraw/zinc/32/22/91/1074322291.db2.gz QGBAPZKVIXPIOD-IEBWSBKVSA-N 1 1 404.511 0.824 20 0 HCADMO C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372347 1074322484 /nfs/dbraw/zinc/32/24/84/1074322484.db2.gz QGBAPZKVIXPIOD-MJGOQNOKSA-N 1 1 404.511 0.824 20 0 HCADMO C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372347 1074322474 /nfs/dbraw/zinc/32/24/74/1074322474.db2.gz QGBAPZKVIXPIOD-MJGOQNOKSA-N 1 1 404.511 0.824 20 0 HCADMO C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372348 1074322219 /nfs/dbraw/zinc/32/22/19/1074322219.db2.gz QGBAPZKVIXPIOD-PKOBYXMFSA-N 1 1 404.511 0.824 20 0 HCADMO C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372348 1074322215 /nfs/dbraw/zinc/32/22/15/1074322215.db2.gz QGBAPZKVIXPIOD-PKOBYXMFSA-N 1 1 404.511 0.824 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1 ZINC000607372363 1074322242 /nfs/dbraw/zinc/32/22/42/1074322242.db2.gz JMYFAKXLXYKMPH-HNNXBMFYSA-N 1 1 412.560 0.604 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1 ZINC000607372365 1074322397 /nfs/dbraw/zinc/32/23/97/1074322397.db2.gz JMYFAKXLXYKMPH-OAHLLOKOSA-N 1 1 412.560 0.604 20 0 HCADMO C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372987 1074322938 /nfs/dbraw/zinc/32/29/38/1074322938.db2.gz JTAZPDROPPUFRU-AEFFLSMTSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372987 1074322927 /nfs/dbraw/zinc/32/29/27/1074322927.db2.gz JTAZPDROPPUFRU-AEFFLSMTSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372990 1074322869 /nfs/dbraw/zinc/32/28/69/1074322869.db2.gz JTAZPDROPPUFRU-FUHWJXTLSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372990 1074322861 /nfs/dbraw/zinc/32/28/61/1074322861.db2.gz JTAZPDROPPUFRU-FUHWJXTLSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372991 1074323017 /nfs/dbraw/zinc/32/30/17/1074323017.db2.gz JTAZPDROPPUFRU-SJLPKXTDSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372991 1074323013 /nfs/dbraw/zinc/32/30/13/1074323013.db2.gz JTAZPDROPPUFRU-SJLPKXTDSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607372992 1074323065 /nfs/dbraw/zinc/32/30/65/1074323065.db2.gz JTAZPDROPPUFRU-WMZOPIPTSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607372992 1074323060 /nfs/dbraw/zinc/32/30/60/1074323060.db2.gz JTAZPDROPPUFRU-WMZOPIPTSA-N 1 1 412.556 0.857 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607374341 1074322903 /nfs/dbraw/zinc/32/29/03/1074322903.db2.gz KQYJZYFBKMMNMA-QXAKKESOSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607374341 1074322894 /nfs/dbraw/zinc/32/28/94/1074322894.db2.gz KQYJZYFBKMMNMA-QXAKKESOSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607374342 1074322763 /nfs/dbraw/zinc/32/27/63/1074322763.db2.gz KQYJZYFBKMMNMA-UHOSZYNNSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607374342 1074322755 /nfs/dbraw/zinc/32/27/55/1074322755.db2.gz KQYJZYFBKMMNMA-UHOSZYNNSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607374343 1074323042 /nfs/dbraw/zinc/32/30/42/1074323042.db2.gz KQYJZYFBKMMNMA-WDSOQIARSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607374343 1074323037 /nfs/dbraw/zinc/32/30/37/1074323037.db2.gz KQYJZYFBKMMNMA-WDSOQIARSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607374344 1074322987 /nfs/dbraw/zinc/32/29/87/1074322987.db2.gz KQYJZYFBKMMNMA-YTQUADARSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607374344 1074322982 /nfs/dbraw/zinc/32/29/82/1074322982.db2.gz KQYJZYFBKMMNMA-YTQUADARSA-N 1 1 424.567 0.999 20 0 HCADMO C[C@@H](NC(=O)NCCNC(=O)c1cnccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607375718 1074317455 /nfs/dbraw/zinc/31/74/55/1074317455.db2.gz LXRZENBPQSOGDO-APWZRJJASA-N 1 1 412.494 0.795 20 0 HCADMO C[C@@H](NC(=O)NCCNC(=O)c1cnccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607375718 1074317444 /nfs/dbraw/zinc/31/74/44/1074317444.db2.gz LXRZENBPQSOGDO-APWZRJJASA-N 1 1 412.494 0.795 20 0 HCADMO C[C@H](NC(=O)NCCNC(=O)c1cnccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607375719 1074317338 /nfs/dbraw/zinc/31/73/38/1074317338.db2.gz LXRZENBPQSOGDO-LPHOPBHVSA-N 1 1 412.494 0.795 20 0 HCADMO C[C@H](NC(=O)NCCNC(=O)c1cnccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607375719 1074317329 /nfs/dbraw/zinc/31/73/29/1074317329.db2.gz LXRZENBPQSOGDO-LPHOPBHVSA-N 1 1 412.494 0.795 20 0 HCADMO C[C@H](NC(=O)NCCNC(=O)c1cnccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607375720 1074317485 /nfs/dbraw/zinc/31/74/85/1074317485.db2.gz LXRZENBPQSOGDO-QFBILLFUSA-N 1 1 412.494 0.795 20 0 HCADMO C[C@H](NC(=O)NCCNC(=O)c1cnccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607375720 1074317475 /nfs/dbraw/zinc/31/74/75/1074317475.db2.gz LXRZENBPQSOGDO-QFBILLFUSA-N 1 1 412.494 0.795 20 0 HCADMO C[C@@H](NC(=O)NCCNC(=O)c1cnccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607375724 1074317716 /nfs/dbraw/zinc/31/77/16/1074317716.db2.gz LXRZENBPQSOGDO-VQIMIIECSA-N 1 1 412.494 0.795 20 0 HCADMO C[C@@H](NC(=O)NCCNC(=O)c1cnccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607375724 1074317710 /nfs/dbraw/zinc/31/77/10/1074317710.db2.gz LXRZENBPQSOGDO-VQIMIIECSA-N 1 1 412.494 0.795 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000607376670 1074317260 /nfs/dbraw/zinc/31/72/60/1074317260.db2.gz YDUNIHLBIRCUIP-DLBZAZTESA-N 1 1 410.544 0.499 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000607376671 1074318297 /nfs/dbraw/zinc/31/82/97/1074318297.db2.gz YDUNIHLBIRCUIP-IAGOWNOFSA-N 1 1 410.544 0.499 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000607376672 1074318195 /nfs/dbraw/zinc/31/81/95/1074318195.db2.gz YDUNIHLBIRCUIP-IRXDYDNUSA-N 1 1 410.544 0.499 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000607376673 1074317884 /nfs/dbraw/zinc/31/78/84/1074317884.db2.gz YDUNIHLBIRCUIP-SJORKVTESA-N 1 1 410.544 0.499 20 0 HCADMO C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377198 1074317306 /nfs/dbraw/zinc/31/73/06/1074317306.db2.gz OTCWTTPTRJBELD-DOTOQJQBSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377198 1074317298 /nfs/dbraw/zinc/31/72/98/1074317298.db2.gz OTCWTTPTRJBELD-DOTOQJQBSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377199 1074317545 /nfs/dbraw/zinc/31/75/45/1074317545.db2.gz OTCWTTPTRJBELD-NVXWUHKLSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377199 1074317537 /nfs/dbraw/zinc/31/75/37/1074317537.db2.gz OTCWTTPTRJBELD-NVXWUHKLSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377203 1074317514 /nfs/dbraw/zinc/31/75/14/1074317514.db2.gz OTCWTTPTRJBELD-RDJZCZTQSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377203 1074317505 /nfs/dbraw/zinc/31/75/05/1074317505.db2.gz OTCWTTPTRJBELD-RDJZCZTQSA-N 1 1 412.556 0.903 20 0 HCADMO C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377204 1074317570 /nfs/dbraw/zinc/31/75/70/1074317570.db2.gz OTCWTTPTRJBELD-WBVHZDCISA-N 1 1 412.556 0.903 20 0 HCADMO C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377204 1074317562 /nfs/dbraw/zinc/31/75/62/1074317562.db2.gz OTCWTTPTRJBELD-WBVHZDCISA-N 1 1 412.556 0.903 20 0 HCADMO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377800 1074318177 /nfs/dbraw/zinc/31/81/77/1074318177.db2.gz WTJBPVULPWAYMO-DOTOQJQBSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377800 1074318167 /nfs/dbraw/zinc/31/81/67/1074318167.db2.gz WTJBPVULPWAYMO-DOTOQJQBSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377801 1074317939 /nfs/dbraw/zinc/31/79/39/1074317939.db2.gz WTJBPVULPWAYMO-NVXWUHKLSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377801 1074317932 /nfs/dbraw/zinc/31/79/32/1074317932.db2.gz WTJBPVULPWAYMO-NVXWUHKLSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377802 1074318099 /nfs/dbraw/zinc/31/80/99/1074318099.db2.gz WTJBPVULPWAYMO-RDJZCZTQSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377802 1074318087 /nfs/dbraw/zinc/31/80/87/1074318087.db2.gz WTJBPVULPWAYMO-RDJZCZTQSA-N 1 1 403.483 0.517 20 0 HCADMO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607377803 1074318280 /nfs/dbraw/zinc/31/82/80/1074318280.db2.gz WTJBPVULPWAYMO-WBVHZDCISA-N 1 1 403.483 0.517 20 0 HCADMO C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607377803 1074318269 /nfs/dbraw/zinc/31/82/69/1074318269.db2.gz WTJBPVULPWAYMO-WBVHZDCISA-N 1 1 403.483 0.517 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000607379273 1074318040 /nfs/dbraw/zinc/31/80/40/1074318040.db2.gz VTOLAMSJBZMKGO-INIZCTEOSA-N 1 1 410.544 0.357 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCC(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)cn1 ZINC000607379274 1074318061 /nfs/dbraw/zinc/31/80/61/1074318061.db2.gz VTOLAMSJBZMKGO-MRXNPFEDSA-N 1 1 410.544 0.357 20 0 HCADMO C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607380705 1074318593 /nfs/dbraw/zinc/31/85/93/1074318593.db2.gz UJTDGYPAKRBUOR-HKUYNNGSSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607380705 1074318590 /nfs/dbraw/zinc/31/85/90/1074318590.db2.gz UJTDGYPAKRBUOR-HKUYNNGSSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607380707 1074318605 /nfs/dbraw/zinc/31/86/05/1074318605.db2.gz UJTDGYPAKRBUOR-IEBWSBKVSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607380707 1074318602 /nfs/dbraw/zinc/31/86/02/1074318602.db2.gz UJTDGYPAKRBUOR-IEBWSBKVSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607380708 1074318562 /nfs/dbraw/zinc/31/85/62/1074318562.db2.gz UJTDGYPAKRBUOR-MJGOQNOKSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607380708 1074318556 /nfs/dbraw/zinc/31/85/56/1074318556.db2.gz UJTDGYPAKRBUOR-MJGOQNOKSA-N 1 1 424.567 0.953 20 0 HCADMO C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607380709 1074318799 /nfs/dbraw/zinc/31/87/99/1074318799.db2.gz UJTDGYPAKRBUOR-PKOBYXMFSA-N 1 1 424.567 0.953 20 0 HCADMO 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O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000607428438 1074326778 /nfs/dbraw/zinc/32/67/78/1074326778.db2.gz QCTZEVWPNHMOBE-NRFANRHFSA-N 1 1 421.461 0.354 20 0 HCADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000607428439 1074326822 /nfs/dbraw/zinc/32/68/22/1074326822.db2.gz QCTZEVWPNHMOBE-OAQYLSRUSA-N 1 1 421.461 0.354 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607428457 1074327227 /nfs/dbraw/zinc/32/72/27/1074327227.db2.gz POGJZICILMUROL-NRFANRHFSA-N 1 1 414.437 0.616 20 0 HCADMO NC(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607428458 1074327318 /nfs/dbraw/zinc/32/73/18/1074327318.db2.gz POGJZICILMUROL-OAQYLSRUSA-N 1 1 414.437 0.616 20 0 HCADMO NC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000607428478 1074327177 /nfs/dbraw/zinc/32/71/77/1074327177.db2.gz QRBLZHUGAIVWDN-NRFANRHFSA-N 1 1 414.437 0.616 20 0 HCADMO 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O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nc2c(s1)COCC2 ZINC000607428549 1074329350 /nfs/dbraw/zinc/32/93/50/1074329350.db2.gz UOICDAYDMWIPEU-FQEVSTJZSA-N 1 1 416.503 0.908 20 0 HCADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nc2c(s1)COCC2 ZINC000607428550 1074329391 /nfs/dbraw/zinc/32/93/91/1074329391.db2.gz UOICDAYDMWIPEU-HXUWFJFHSA-N 1 1 416.503 0.908 20 0 HCADMO NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000607428591 1074329235 /nfs/dbraw/zinc/32/92/35/1074329235.db2.gz SVVNDGFKPQTAQE-NRFANRHFSA-N 1 1 414.437 0.616 20 0 HCADMO NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000607428592 1074329306 /nfs/dbraw/zinc/32/93/06/1074329306.db2.gz SVVNDGFKPQTAQE-OAQYLSRUSA-N 1 1 414.437 0.616 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C(N)=O ZINC000607428603 1074329539 /nfs/dbraw/zinc/32/95/39/1074329539.db2.gz UIEXRKMJIUSESO-JOCHJYFZSA-N 1 1 410.474 0.786 20 0 HCADMO Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C(N)=O ZINC000607428605 1074329374 /nfs/dbraw/zinc/32/93/74/1074329374.db2.gz UIEXRKMJIUSESO-QFIPXVFZSA-N 1 1 410.474 0.786 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607428610 1074329569 /nfs/dbraw/zinc/32/95/69/1074329569.db2.gz UOEHFYDKTRBCPP-JOCHJYFZSA-N 1 1 410.474 0.738 20 0 HCADMO CNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607428611 1074329908 /nfs/dbraw/zinc/32/99/08/1074329908.db2.gz UOEHFYDKTRBCPP-QFIPXVFZSA-N 1 1 410.474 0.738 20 0 HCADMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000607428640 1074329328 /nfs/dbraw/zinc/32/93/28/1074329328.db2.gz VXAUGDVNACABMI-JOCHJYFZSA-N 1 1 420.473 0.959 20 0 HCADMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000607428641 1074329520 /nfs/dbraw/zinc/32/95/20/1074329520.db2.gz VXAUGDVNACABMI-QFIPXVFZSA-N 1 1 420.473 0.959 20 0 HCADMO COCCn1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000607430011 1074329962 /nfs/dbraw/zinc/32/99/62/1074329962.db2.gz HWLHDPYIUUBVEJ-APWZRJJASA-N 1 1 415.494 0.874 20 0 HCADMO COCCn1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000607430011 1074329956 /nfs/dbraw/zinc/32/99/56/1074329956.db2.gz HWLHDPYIUUBVEJ-APWZRJJASA-N 1 1 415.494 0.874 20 0 HCADMO COCCn1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000607430012 1074329887 /nfs/dbraw/zinc/32/98/87/1074329887.db2.gz HWLHDPYIUUBVEJ-LPHOPBHVSA-N 1 1 415.494 0.874 20 0 HCADMO COCCn1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000607430012 1074329879 /nfs/dbraw/zinc/32/98/79/1074329879.db2.gz HWLHDPYIUUBVEJ-LPHOPBHVSA-N 1 1 415.494 0.874 20 0 HCADMO COCCn1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000607430013 1074329992 /nfs/dbraw/zinc/32/99/92/1074329992.db2.gz HWLHDPYIUUBVEJ-QFBILLFUSA-N 1 1 415.494 0.874 20 0 HCADMO 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C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2)CC1 ZINC000607430949 1074329937 /nfs/dbraw/zinc/32/99/37/1074329937.db2.gz GXJWLHXVZXZBOF-KZNAEPCWSA-N 1 1 414.506 0.942 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2)CC1 ZINC000607430952 1074330000 /nfs/dbraw/zinc/33/00/00/1074330000.db2.gz GXJWLHXVZXZBOF-RCCFBDPRSA-N 1 1 414.506 0.942 20 0 HCADMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000607435967 1074330577 /nfs/dbraw/zinc/33/05/77/1074330577.db2.gz DEQHRMASIGLBPC-UHFFFAOYSA-N 1 1 401.452 0.813 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1 ZINC000607463767 1074329018 /nfs/dbraw/zinc/32/90/18/1074329018.db2.gz QXELABGEKGEZOO-UHFFFAOYSA-N 1 1 408.524 0.475 20 0 HCADMO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000607512111 1074332371 /nfs/dbraw/zinc/33/23/71/1074332371.db2.gz NNERRGCLLSHYJV-FXAWDEMLSA-N 1 1 415.538 0.440 20 0 HCADMO 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Cc1cc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269904 1074414213 /nfs/dbraw/zinc/41/42/13/1074414213.db2.gz BYGUWZFTRJDWNJ-GDBMZVCRSA-N 1 1 412.560 0.556 20 0 HCADMO Cc1cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000608269905 1074414089 /nfs/dbraw/zinc/41/40/89/1074414089.db2.gz BYGUWZFTRJDWNJ-GOEBONIOSA-N 1 1 412.560 0.556 20 0 HCADMO Cc1cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269906 1074414149 /nfs/dbraw/zinc/41/41/49/1074414149.db2.gz BYGUWZFTRJDWNJ-HOCLYGCPSA-N 1 1 412.560 0.556 20 0 HCADMO Cc1cc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000608269907 1074414276 /nfs/dbraw/zinc/41/42/76/1074414276.db2.gz BYGUWZFTRJDWNJ-ZBFHGGJFSA-N 1 1 412.560 0.556 20 0 HCADMO CN1CC(=O)N(c2cccc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)C1=O ZINC000608285210 1074416900 /nfs/dbraw/zinc/41/69/00/1074416900.db2.gz JPVWZSSTIXZWGI-IBGZPJMESA-N 1 1 405.455 0.290 20 0 HCADMO CN1CC(=O)N(c2cccc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)C1=O ZINC000608285211 1074416714 /nfs/dbraw/zinc/41/67/14/1074416714.db2.gz JPVWZSSTIXZWGI-LJQANCHMSA-N 1 1 405.455 0.290 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCNC(=O)C[C@@H]1C ZINC000608292589 1074417393 /nfs/dbraw/zinc/41/73/93/1074417393.db2.gz JCRSZUBZZYQFFL-AWEZNQCLSA-N 1 1 403.483 0.825 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCNC(=O)C[C@H]1C ZINC000608292590 1074417414 /nfs/dbraw/zinc/41/74/14/1074417414.db2.gz JCRSZUBZZYQFFL-CQSZACIVSA-N 1 1 403.483 0.825 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCc1nnnn1C1CC1 ZINC000608292761 1074417081 /nfs/dbraw/zinc/41/70/81/1074417081.db2.gz QOPIIVDRBSNXRF-UHFFFAOYSA-N 1 1 414.470 0.726 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000608299240 1074418017 /nfs/dbraw/zinc/41/80/17/1074418017.db2.gz BKCSMEHQXHWRSA-INIZCTEOSA-N 1 1 416.526 0.639 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000608299241 1074418189 /nfs/dbraw/zinc/41/81/89/1074418189.db2.gz BKCSMEHQXHWRSA-MRXNPFEDSA-N 1 1 416.526 0.639 20 0 HCADMO COC[C@@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000608299317 1074418159 /nfs/dbraw/zinc/41/81/59/1074418159.db2.gz JOYFMWLXLUHEOM-IBGZPJMESA-N 1 1 419.526 0.776 20 0 HCADMO COC[C@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000608299318 1074417966 /nfs/dbraw/zinc/41/79/66/1074417966.db2.gz JOYFMWLXLUHEOM-LJQANCHMSA-N 1 1 419.526 0.776 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000608299396 1074418075 /nfs/dbraw/zinc/41/80/75/1074418075.db2.gz RNZSBXAJQUGTKQ-HNNXBMFYSA-N 1 1 423.539 0.755 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000608299396 1074418065 /nfs/dbraw/zinc/41/80/65/1074418065.db2.gz RNZSBXAJQUGTKQ-HNNXBMFYSA-N 1 1 423.539 0.755 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000608299397 1074418134 /nfs/dbraw/zinc/41/81/34/1074418134.db2.gz RNZSBXAJQUGTKQ-OAHLLOKOSA-N 1 1 423.539 0.755 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000608299397 1074418127 /nfs/dbraw/zinc/41/81/27/1074418127.db2.gz RNZSBXAJQUGTKQ-OAHLLOKOSA-N 1 1 423.539 0.755 20 0 HCADMO COCCN(CCO)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000608299421 1074417995 /nfs/dbraw/zinc/41/79/95/1074417995.db2.gz VNNYEFBSRCPNOB-UHFFFAOYSA-N 1 1 407.515 0.369 20 0 HCADMO Cc1nc(CNC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)no1 ZINC000608299456 1074417984 /nfs/dbraw/zinc/41/79/84/1074417984.db2.gz YBBRNGGSJZDDEY-UHFFFAOYSA-N 1 1 401.471 0.910 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@H+]1C ZINC000608304563 1074419482 /nfs/dbraw/zinc/41/94/82/1074419482.db2.gz BOJYNCOJXAWYJP-CABCVRRESA-N 1 1 410.544 0.767 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@H+]1C ZINC000608304564 1074419521 /nfs/dbraw/zinc/41/95/21/1074419521.db2.gz BOJYNCOJXAWYJP-GJZGRUSLSA-N 1 1 410.544 0.767 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@H+]1C ZINC000608304565 1074420082 /nfs/dbraw/zinc/42/00/82/1074420082.db2.gz BOJYNCOJXAWYJP-HUUCEWRRSA-N 1 1 410.544 0.767 20 0 HCADMO C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC[N@H+]1C ZINC000608304566 1074420095 /nfs/dbraw/zinc/42/00/95/1074420095.db2.gz BOJYNCOJXAWYJP-LSDHHAIUSA-N 1 1 410.544 0.767 20 0 HCADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000608304837 1074419576 /nfs/dbraw/zinc/41/95/76/1074419576.db2.gz SVMFKVPWNNJYIT-INIZCTEOSA-N 1 1 424.571 0.969 20 0 HCADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000608304838 1074419149 /nfs/dbraw/zinc/41/91/49/1074419149.db2.gz SVMFKVPWNNJYIT-MRXNPFEDSA-N 1 1 424.571 0.969 20 0 HCADMO CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000608304884 1074419423 /nfs/dbraw/zinc/41/94/23/1074419423.db2.gz YUYFLCOBCYJMNB-UHFFFAOYSA-N 1 1 408.528 0.475 20 0 HCADMO CNS(=O)(=O)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000608309938 1074421793 /nfs/dbraw/zinc/42/17/93/1074421793.db2.gz RGVICQCTJOGHSD-INIZCTEOSA-N 1 1 411.528 0.659 20 0 HCADMO CNS(=O)(=O)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000608309939 1074421687 /nfs/dbraw/zinc/42/16/87/1074421687.db2.gz RGVICQCTJOGHSD-MRXNPFEDSA-N 1 1 411.528 0.659 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000608311158 1074422420 /nfs/dbraw/zinc/42/24/20/1074422420.db2.gz QDGHIGCWKHDIJU-UHFFFAOYSA-N 1 1 411.528 0.707 20 0 HCADMO CNS(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000608311182 1074422516 /nfs/dbraw/zinc/42/25/16/1074422516.db2.gz QRWNTMYAEZPKNM-UHFFFAOYSA-N 1 1 423.539 0.613 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000608351447 1074424881 /nfs/dbraw/zinc/42/48/81/1074424881.db2.gz HKGPFYKLLGBRJQ-GOSISDBHSA-N 1 1 410.540 0.228 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000608351447 1074424869 /nfs/dbraw/zinc/42/48/69/1074424869.db2.gz HKGPFYKLLGBRJQ-GOSISDBHSA-N 1 1 410.540 0.228 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000608351448 1074424952 /nfs/dbraw/zinc/42/49/52/1074424952.db2.gz HKGPFYKLLGBRJQ-SFHVURJKSA-N 1 1 410.540 0.228 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000608351448 1074424942 /nfs/dbraw/zinc/42/49/42/1074424942.db2.gz HKGPFYKLLGBRJQ-SFHVURJKSA-N 1 1 410.540 0.228 20 0 HCADMO Cc1c(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000608358457 1074425613 /nfs/dbraw/zinc/42/56/13/1074425613.db2.gz UPYXLIKUTSODMD-HNNXBMFYSA-N 1 1 418.523 0.457 20 0 HCADMO Cc1c(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000608358464 1074425427 /nfs/dbraw/zinc/42/54/27/1074425427.db2.gz UPYXLIKUTSODMD-OAHLLOKOSA-N 1 1 418.523 0.457 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365308 1074426671 /nfs/dbraw/zinc/42/66/71/1074426671.db2.gz GGAHLQJOBCYVBL-MOPGFXCFSA-N 1 1 414.506 0.028 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365309 1074426307 /nfs/dbraw/zinc/42/63/07/1074426307.db2.gz GGAHLQJOBCYVBL-OALUTQOASA-N 1 1 414.506 0.028 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000608365310 1074426378 /nfs/dbraw/zinc/42/63/78/1074426378.db2.gz GGAHLQJOBCYVBL-RBUKOAKNSA-N 1 1 414.506 0.028 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000608365311 1074426465 /nfs/dbraw/zinc/42/64/65/1074426465.db2.gz GGAHLQJOBCYVBL-RTBURBONSA-N 1 1 414.506 0.028 20 0 HCADMO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365328 1074426325 /nfs/dbraw/zinc/42/63/25/1074426325.db2.gz GNCYRVMIBTUJAV-FCHUYYIVSA-N 1 1 416.566 0.800 20 0 HCADMO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365329 1074426449 /nfs/dbraw/zinc/42/64/49/1074426449.db2.gz GNCYRVMIBTUJAV-FGZHOGPDSA-N 1 1 416.566 0.800 20 0 HCADMO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365330 1074426488 /nfs/dbraw/zinc/42/64/88/1074426488.db2.gz GNCYRVMIBTUJAV-VXKWHMMOSA-N 1 1 416.566 0.800 20 0 HCADMO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000608365331 1074426251 /nfs/dbraw/zinc/42/62/51/1074426251.db2.gz GNCYRVMIBTUJAV-YADHBBJMSA-N 1 1 416.566 0.800 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000608371211 1074427238 /nfs/dbraw/zinc/42/72/38/1074427238.db2.gz WFCHEOYNPABKQK-AWEZNQCLSA-N 1 1 419.507 0.638 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000608380865 1074430639 /nfs/dbraw/zinc/43/06/39/1074430639.db2.gz VCFCYZDTRKEZOX-INIZCTEOSA-N 1 1 424.567 0.652 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CC1 ZINC000608396925 1074428643 /nfs/dbraw/zinc/42/86/43/1074428643.db2.gz MDSOZXAQWSMYTH-UHFFFAOYSA-N 1 1 411.510 0.605 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608398288 1074428685 /nfs/dbraw/zinc/42/86/85/1074428685.db2.gz MUAOBZASXZWMSS-PBHICJAKSA-N 1 1 419.530 0.204 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608398298 1074428797 /nfs/dbraw/zinc/42/87/97/1074428797.db2.gz MUAOBZASXZWMSS-RHSMWYFYSA-N 1 1 419.530 0.204 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608398299 1074428550 /nfs/dbraw/zinc/42/85/50/1074428550.db2.gz MUAOBZASXZWMSS-WMLDXEAASA-N 1 1 419.530 0.204 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608398301 1074428829 /nfs/dbraw/zinc/42/88/29/1074428829.db2.gz MUAOBZASXZWMSS-YOEHRIQHSA-N 1 1 419.530 0.204 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407778 1074430091 /nfs/dbraw/zinc/43/00/91/1074430091.db2.gz JDSNWSLDLXXIFC-AEFFLSMTSA-N 1 1 405.547 0.631 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407782 1074430164 /nfs/dbraw/zinc/43/01/64/1074430164.db2.gz JDSNWSLDLXXIFC-FUHWJXTLSA-N 1 1 405.547 0.631 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407784 1074430028 /nfs/dbraw/zinc/43/00/28/1074430028.db2.gz JDSNWSLDLXXIFC-SJLPKXTDSA-N 1 1 405.547 0.631 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000608407786 1074430214 /nfs/dbraw/zinc/43/02/14/1074430214.db2.gz JDSNWSLDLXXIFC-WMZOPIPTSA-N 1 1 405.547 0.631 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN(C)S(C)(=O)=O ZINC000608409053 1074430115 /nfs/dbraw/zinc/43/01/15/1074430115.db2.gz MVPOAHSMEHWINH-KRWDZBQOSA-N 1 1 411.572 0.778 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN(C)S(C)(=O)=O ZINC000608409054 1074430589 /nfs/dbraw/zinc/43/05/89/1074430589.db2.gz MVPOAHSMEHWINH-QGZVFWFLSA-N 1 1 411.572 0.778 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000608421113 1074433430 /nfs/dbraw/zinc/43/34/30/1074433430.db2.gz FEQXGNIQEAVLRP-GOSISDBHSA-N 1 1 423.583 0.922 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CCCS1(=O)=O ZINC000608421116 1074433170 /nfs/dbraw/zinc/43/31/70/1074433170.db2.gz FEQXGNIQEAVLRP-SFHVURJKSA-N 1 1 423.583 0.922 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000608430892 1074436667 /nfs/dbraw/zinc/43/66/67/1074436667.db2.gz VCSLDVDQRXPHGV-INIZCTEOSA-N 1 1 411.572 0.824 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000608430893 1074436809 /nfs/dbraw/zinc/43/68/09/1074436809.db2.gz VCSLDVDQRXPHGV-MRXNPFEDSA-N 1 1 411.572 0.824 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438936 1074438640 /nfs/dbraw/zinc/43/86/40/1074438640.db2.gz VMCQEUITGALPIU-DOTOQJQBSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438936 1074438636 /nfs/dbraw/zinc/43/86/36/1074438636.db2.gz VMCQEUITGALPIU-DOTOQJQBSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438938 1074438697 /nfs/dbraw/zinc/43/86/97/1074438697.db2.gz VMCQEUITGALPIU-NVXWUHKLSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438938 1074438690 /nfs/dbraw/zinc/43/86/90/1074438690.db2.gz VMCQEUITGALPIU-NVXWUHKLSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438939 1074438585 /nfs/dbraw/zinc/43/85/85/1074438585.db2.gz VMCQEUITGALPIU-RDJZCZTQSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438939 1074438575 /nfs/dbraw/zinc/43/85/75/1074438575.db2.gz VMCQEUITGALPIU-RDJZCZTQSA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n(C)n1 ZINC000608438940 1074438475 /nfs/dbraw/zinc/43/84/75/1074438475.db2.gz VMCQEUITGALPIU-WBVHZDCISA-N 1 1 403.531 0.302 20 0 HCADMO Cc1cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n(C)n1 ZINC000608438940 1074438466 /nfs/dbraw/zinc/43/84/66/1074438466.db2.gz VMCQEUITGALPIU-WBVHZDCISA-N 1 1 403.531 0.302 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439122 1074437830 /nfs/dbraw/zinc/43/78/30/1074437830.db2.gz CPTNRARFLQCUNQ-DOTOQJQBSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439122 1074437821 /nfs/dbraw/zinc/43/78/21/1074437821.db2.gz CPTNRARFLQCUNQ-DOTOQJQBSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439123 1074437571 /nfs/dbraw/zinc/43/75/71/1074437571.db2.gz CPTNRARFLQCUNQ-NVXWUHKLSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439123 1074437566 /nfs/dbraw/zinc/43/75/66/1074437566.db2.gz CPTNRARFLQCUNQ-NVXWUHKLSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439124 1074437539 /nfs/dbraw/zinc/43/75/39/1074437539.db2.gz CPTNRARFLQCUNQ-RDJZCZTQSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439124 1074437537 /nfs/dbraw/zinc/43/75/37/1074437537.db2.gz CPTNRARFLQCUNQ-RDJZCZTQSA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2=O)n1 ZINC000608439125 1074437871 /nfs/dbraw/zinc/43/78/71/1074437871.db2.gz CPTNRARFLQCUNQ-WBVHZDCISA-N 1 1 403.531 0.383 20 0 HCADMO Cn1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2=O)n1 ZINC000608439125 1074437864 /nfs/dbraw/zinc/43/78/64/1074437864.db2.gz CPTNRARFLQCUNQ-WBVHZDCISA-N 1 1 403.531 0.383 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439237 1074437432 /nfs/dbraw/zinc/43/74/32/1074437432.db2.gz MUQIRDQLLYPGES-IIDMSEBBSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439237 1074437427 /nfs/dbraw/zinc/43/74/27/1074437427.db2.gz MUQIRDQLLYPGES-IIDMSEBBSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439238 1074437759 /nfs/dbraw/zinc/43/77/59/1074437759.db2.gz MUQIRDQLLYPGES-RKVPGOIHSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439238 1074437741 /nfs/dbraw/zinc/43/77/41/1074437741.db2.gz MUQIRDQLLYPGES-RKVPGOIHSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439239 1074437634 /nfs/dbraw/zinc/43/76/34/1074437634.db2.gz MUQIRDQLLYPGES-RVKKMQEKSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439239 1074437621 /nfs/dbraw/zinc/43/76/21/1074437621.db2.gz MUQIRDQLLYPGES-RVKKMQEKSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439240 1074437480 /nfs/dbraw/zinc/43/74/80/1074437480.db2.gz MUQIRDQLLYPGES-VKJFTORMSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608439240 1074437473 /nfs/dbraw/zinc/43/74/73/1074437473.db2.gz MUQIRDQLLYPGES-VKJFTORMSA-N 1 1 403.531 0.382 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000608442394 1074438428 /nfs/dbraw/zinc/43/84/28/1074438428.db2.gz ZGXWQTPVMWATIE-MSOLQXFVSA-N 1 1 423.583 0.920 20 0 HCADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000608442395 1074438661 /nfs/dbraw/zinc/43/86/61/1074438661.db2.gz ZGXWQTPVMWATIE-QZTJIDSGSA-N 1 1 423.583 0.920 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000608442396 1074438681 /nfs/dbraw/zinc/43/86/81/1074438681.db2.gz ZGXWQTPVMWATIE-ROUUACIJSA-N 1 1 423.583 0.920 20 0 HCADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000608442397 1074438555 /nfs/dbraw/zinc/43/85/55/1074438555.db2.gz ZGXWQTPVMWATIE-ZWKOTPCHSA-N 1 1 423.583 0.920 20 0 HCADMO C[C@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000608458057 1074444327 /nfs/dbraw/zinc/44/43/27/1074444327.db2.gz YWGIYSGAHVRUJT-INIZCTEOSA-N 1 1 424.567 0.411 20 0 HCADMO C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000608458058 1074444470 /nfs/dbraw/zinc/44/44/70/1074444470.db2.gz YWGIYSGAHVRUJT-MRXNPFEDSA-N 1 1 424.567 0.411 20 0 HCADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)C1 ZINC000608465004 1074445838 /nfs/dbraw/zinc/44/58/38/1074445838.db2.gz FSQZWKGACZLOLJ-INIZCTEOSA-N 1 1 412.498 0.705 20 0 HCADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)C1 ZINC000608465005 1074445685 /nfs/dbraw/zinc/44/56/85/1074445685.db2.gz FSQZWKGACZLOLJ-MRXNPFEDSA-N 1 1 412.498 0.705 20 0 HCADMO C[NH+]1CCC(CNC(=O)COc2ccc(S(N)(=O)=O)cc2)(N2CCCCC2)CC1 ZINC000608474009 1074441161 /nfs/dbraw/zinc/44/11/61/1074441161.db2.gz OFZMKOXFOIBVKB-UHFFFAOYSA-N 1 1 424.567 0.779 20 0 HCADMO C[NH+]1CCN(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 ZINC000608474243 1074441306 /nfs/dbraw/zinc/44/13/06/1074441306.db2.gz AOOZDGQLJIUHSI-UHFFFAOYSA-N 1 1 414.597 0.829 20 0 HCADMO COc1ccc(C(=O)NCC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000608475404 1074441349 /nfs/dbraw/zinc/44/13/49/1074441349.db2.gz JSFQKTQBGGKPMP-KRWDZBQOSA-N 1 1 406.527 0.822 20 0 HCADMO COc1ccc(C(=O)NCC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1OC ZINC000608475405 1074442201 /nfs/dbraw/zinc/44/22/01/1074442201.db2.gz JSFQKTQBGGKPMP-QGZVFWFLSA-N 1 1 406.527 0.822 20 0 HCADMO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608479458 1074442935 /nfs/dbraw/zinc/44/29/35/1074442935.db2.gz MKTCCFOXKYBBJL-IBGZPJMESA-N 1 1 407.492 0.911 20 0 HCADMO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000608479459 1074443087 /nfs/dbraw/zinc/44/30/87/1074443087.db2.gz MKTCCFOXKYBBJL-LJQANCHMSA-N 1 1 407.492 0.911 20 0 HCADMO O=C(Nc1ccccc1CN1C(=O)CNC1=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000608489213 1074453308 /nfs/dbraw/zinc/45/33/08/1074453308.db2.gz AJKRZXNXPJEVIG-HNNXBMFYSA-N 1 1 401.467 0.924 20 0 HCADMO O=C(Nc1ccccc1CN1C(=O)CNC1=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000608489214 1074453331 /nfs/dbraw/zinc/45/33/31/1074453331.db2.gz AJKRZXNXPJEVIG-OAHLLOKOSA-N 1 1 401.467 0.924 20 0 HCADMO COc1ccc(C)cc1C[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000608491838 1074448298 /nfs/dbraw/zinc/44/82/98/1074448298.db2.gz SQWJPDGETJIZRG-UHFFFAOYSA-N 1 1 407.540 0.833 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc21 ZINC000608514168 1074449869 /nfs/dbraw/zinc/44/98/69/1074449869.db2.gz CLKAJBIRMOFNAI-INIZCTEOSA-N 1 1 416.478 0.694 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc21 ZINC000608514169 1074449678 /nfs/dbraw/zinc/44/96/78/1074449678.db2.gz CLKAJBIRMOFNAI-MRXNPFEDSA-N 1 1 416.478 0.694 20 0 HCADMO CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000608514499 1074449977 /nfs/dbraw/zinc/44/99/77/1074449977.db2.gz HSWQLCXUVYXLOE-UHFFFAOYSA-N 1 1 419.526 0.188 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCn1cc[nH+]c1C)CC2 ZINC000608514597 1074451649 /nfs/dbraw/zinc/45/16/49/1074451649.db2.gz RNISYTLEHCPZRU-UHFFFAOYSA-N 1 1 419.507 0.585 20 0 HCADMO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CCCN(C)C1 ZINC000608515845 1074451419 /nfs/dbraw/zinc/45/14/19/1074451419.db2.gz MQORVZZUUWPYTO-INIZCTEOSA-N 1 1 403.527 0.986 20 0 HCADMO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1 ZINC000608515846 1074451147 /nfs/dbraw/zinc/45/11/47/1074451147.db2.gz MQORVZZUUWPYTO-MRXNPFEDSA-N 1 1 403.527 0.986 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516017 1074451211 /nfs/dbraw/zinc/45/12/11/1074451211.db2.gz XJYBJGQQRGABGJ-AWEZNQCLSA-N 1 1 403.483 0.346 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000608516018 1074451572 /nfs/dbraw/zinc/45/15/72/1074451572.db2.gz XJYBJGQQRGABGJ-CQSZACIVSA-N 1 1 403.483 0.346 20 0 HCADMO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)no1 ZINC000608516189 1074451281 /nfs/dbraw/zinc/45/12/81/1074451281.db2.gz BKGWYZJDCGTTGF-UHFFFAOYSA-N 1 1 401.467 0.864 20 0 HCADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)CC2 ZINC000608518682 1074460809 /nfs/dbraw/zinc/46/08/09/1074460809.db2.gz QBJIWJTUXFBLTF-UHFFFAOYSA-N 1 1 422.551 0.817 20 0 HCADMO COc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1-n1cnnn1 ZINC000608518690 1074460881 /nfs/dbraw/zinc/46/08/81/1074460881.db2.gz WMWGSCZIAXGULW-UHFFFAOYSA-N 1 1 401.471 0.942 20 0 HCADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000608518792 1074460820 /nfs/dbraw/zinc/46/08/20/1074460820.db2.gz KONYJOUVLGZIFA-HNNXBMFYSA-N 1 1 406.508 0.084 20 0 HCADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000608518793 1074460924 /nfs/dbraw/zinc/46/09/24/1074460924.db2.gz KONYJOUVLGZIFA-OAHLLOKOSA-N 1 1 406.508 0.084 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000608518881 1074460858 /nfs/dbraw/zinc/46/08/58/1074460858.db2.gz ZUEQBSPKDSMNHY-INIZCTEOSA-N 1 1 420.535 0.474 20 0 HCADMO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000608518882 1074460906 /nfs/dbraw/zinc/46/09/06/1074460906.db2.gz ZUEQBSPKDSMNHY-MRXNPFEDSA-N 1 1 420.535 0.474 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc21 ZINC000608519665 1074461727 /nfs/dbraw/zinc/46/17/27/1074461727.db2.gz FBHWCBOVEZBINV-INIZCTEOSA-N 1 1 415.494 0.219 20 0 HCADMO CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc21 ZINC000608519666 1074461579 /nfs/dbraw/zinc/46/15/79/1074461579.db2.gz FBHWCBOVEZBINV-MRXNPFEDSA-N 1 1 415.494 0.219 20 0 HCADMO Cc1cc(CNC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000608521145 1074461633 /nfs/dbraw/zinc/46/16/33/1074461633.db2.gz MWAJEUZYQWOHGD-UHFFFAOYSA-N 1 1 400.483 0.599 20 0 HCADMO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000608521244 1074461765 /nfs/dbraw/zinc/46/17/65/1074461765.db2.gz DPTVYAXISPLRHU-GOSISDBHSA-N 1 1 413.522 0.756 20 0 HCADMO CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000608521245 1074461435 /nfs/dbraw/zinc/46/14/35/1074461435.db2.gz DPTVYAXISPLRHU-SFHVURJKSA-N 1 1 413.522 0.756 20 0 HCADMO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000608521246 1074461690 /nfs/dbraw/zinc/46/16/90/1074461690.db2.gz DRWIMLRPVPFYLM-HNNXBMFYSA-N 1 1 406.508 0.763 20 0 HCADMO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000608521247 1074461815 /nfs/dbraw/zinc/46/18/15/1074461815.db2.gz DRWIMLRPVPFYLM-OAHLLOKOSA-N 1 1 406.508 0.763 20 0 HCADMO Cc1nc2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2n1C ZINC000608521278 1074461842 /nfs/dbraw/zinc/46/18/42/1074461842.db2.gz CCTINCXYHJLYAU-AWEZNQCLSA-N 1 1 400.483 0.524 20 0 HCADMO Cc1nc2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2n1C ZINC000608521279 1074461609 /nfs/dbraw/zinc/46/16/09/1074461609.db2.gz CCTINCXYHJLYAU-CQSZACIVSA-N 1 1 400.483 0.524 20 0 HCADMO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1C ZINC000608521293 1074461523 /nfs/dbraw/zinc/46/15/23/1074461523.db2.gz IRQAKWVLOQVBJB-INIZCTEOSA-N 1 1 417.510 0.904 20 0 HCADMO CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000608521294 1074461395 /nfs/dbraw/zinc/46/13/95/1074461395.db2.gz IRQAKWVLOQVBJB-MRXNPFEDSA-N 1 1 417.510 0.904 20 0 HCADMO CCN1CCc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc21 ZINC000608521314 1074461549 /nfs/dbraw/zinc/46/15/49/1074461549.db2.gz YJRNMNVMXFSAAL-INIZCTEOSA-N 1 1 401.511 0.711 20 0 HCADMO CCN1CCc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc21 ZINC000608521315 1074461745 /nfs/dbraw/zinc/46/17/45/1074461745.db2.gz YJRNMNVMXFSAAL-MRXNPFEDSA-N 1 1 401.511 0.711 20 0 HCADMO Cc1noc(-c2ccc(C)c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)n1 ZINC000608524143 1074463042 /nfs/dbraw/zinc/46/30/42/1074463042.db2.gz PQYHZDKPPAJWLO-FQEVSTJZSA-N 1 1 417.466 0.491 20 0 HCADMO Cc1noc(-c2ccc(C)c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)n1 ZINC000608524144 1074463066 /nfs/dbraw/zinc/46/30/66/1074463066.db2.gz PQYHZDKPPAJWLO-HXUWFJFHSA-N 1 1 417.466 0.491 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000608525245 1074462976 /nfs/dbraw/zinc/46/29/76/1074462976.db2.gz WYMYFKUEXNOULR-CVEARBPZSA-N 1 1 401.511 0.612 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000608525246 1074462947 /nfs/dbraw/zinc/46/29/47/1074462947.db2.gz WYMYFKUEXNOULR-HOTGVXAUSA-N 1 1 401.511 0.612 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000608525247 1074463088 /nfs/dbraw/zinc/46/30/88/1074463088.db2.gz WYMYFKUEXNOULR-HZPDHXFCSA-N 1 1 401.511 0.612 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC[N@H+]1C ZINC000608525248 1074463018 /nfs/dbraw/zinc/46/30/18/1074463018.db2.gz WYMYFKUEXNOULR-JKSUJKDBSA-N 1 1 401.511 0.612 20 0 HCADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000608526111 1074463725 /nfs/dbraw/zinc/46/37/25/1074463725.db2.gz BADCPLGZAOEHJI-UHFFFAOYSA-N 1 1 419.526 0.097 20 0 HCADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000608526138 1074463625 /nfs/dbraw/zinc/46/36/25/1074463625.db2.gz VBHPNWJYVWGNAL-UHFFFAOYSA-N 1 1 405.455 0.108 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](COC)C3)cc2)CC1 ZINC000608527228 1074463617 /nfs/dbraw/zinc/46/36/17/1074463617.db2.gz MCGHYLMSLNCGOS-GOSISDBHSA-N 1 1 418.494 0.277 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](COC)C3)cc2)CC1 ZINC000608527229 1074463691 /nfs/dbraw/zinc/46/36/91/1074463691.db2.gz MCGHYLMSLNCGOS-SFHVURJKSA-N 1 1 418.494 0.277 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000608529314 1074463739 /nfs/dbraw/zinc/46/37/39/1074463739.db2.gz WCQXKXVFGYSTRO-DOTOQJQBSA-N 1 1 402.495 0.944 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)[C@@H]3CCOC3)cc2)CC1 ZINC000608529315 1074463665 /nfs/dbraw/zinc/46/36/65/1074463665.db2.gz WCQXKXVFGYSTRO-NVXWUHKLSA-N 1 1 402.495 0.944 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000608529316 1074463606 /nfs/dbraw/zinc/46/36/06/1074463606.db2.gz WCQXKXVFGYSTRO-RDJZCZTQSA-N 1 1 402.495 0.944 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)[C@H]3CCOC3)cc2)CC1 ZINC000608529317 1074463699 /nfs/dbraw/zinc/46/36/99/1074463699.db2.gz WCQXKXVFGYSTRO-WBVHZDCISA-N 1 1 402.495 0.944 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)COCCOC)cc2)CC1 ZINC000608529590 1074454205 /nfs/dbraw/zinc/45/42/05/1074454205.db2.gz WXTDBBNAIPOBNP-INIZCTEOSA-N 1 1 420.510 0.571 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)COCCOC)cc2)CC1 ZINC000608529591 1074453937 /nfs/dbraw/zinc/45/39/37/1074453937.db2.gz WXTDBBNAIPOBNP-MRXNPFEDSA-N 1 1 420.510 0.571 20 0 HCADMO COCCOCc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000608536511 1074454799 /nfs/dbraw/zinc/45/47/99/1074454799.db2.gz ANGKBJUVQPZACV-UHFFFAOYSA-N 1 1 420.510 0.457 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000608536817 1074454812 /nfs/dbraw/zinc/45/48/12/1074454812.db2.gz CQOAHOVESUILKB-UHFFFAOYSA-N 1 1 404.467 0.455 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 ZINC000608536872 1074454896 /nfs/dbraw/zinc/45/48/96/1074454896.db2.gz MGPLEULLUDTEMX-UHFFFAOYSA-N 1 1 417.510 0.131 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000608536889 1074454786 /nfs/dbraw/zinc/45/47/86/1074454786.db2.gz OKBMWAASJZOUBS-UHFFFAOYSA-N 1 1 412.494 0.539 20 0 HCADMO CCN1CCc2ccc(NC(=O)C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc21 ZINC000608536907 1074454737 /nfs/dbraw/zinc/45/47/37/1074454737.db2.gz WXQRTPWSYNNILL-UHFFFAOYSA-N 1 1 401.511 0.676 20 0 HCADMO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)(N2CCCCC2)CC1 ZINC000608537149 1074454880 /nfs/dbraw/zinc/45/48/80/1074454880.db2.gz IVFHWYDSDNOUMO-UHFFFAOYSA-N 1 1 419.501 0.930 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N(C)C2CCC2)cc1 ZINC000608537662 1074455439 /nfs/dbraw/zinc/45/54/39/1074455439.db2.gz HIXYJRAJLNVBKT-UHFFFAOYSA-N 1 1 401.511 0.846 20 0 HCADMO COC(C)(C)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000608537957 1074454825 /nfs/dbraw/zinc/45/48/25/1074454825.db2.gz JXXGRHDQQXLPNM-UHFFFAOYSA-N 1 1 419.526 0.377 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCCC2CC2)cc1 ZINC000608538811 1074455409 /nfs/dbraw/zinc/45/54/09/1074455409.db2.gz OJOMILNOUQXYKH-UHFFFAOYSA-N 1 1 401.511 0.752 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@H]2CCSC2)cc1 ZINC000608542624 1074456610 /nfs/dbraw/zinc/45/66/10/1074456610.db2.gz HZALSHCJNJHZPR-INIZCTEOSA-N 1 1 419.551 0.457 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)N[C@@H]2CCSC2)cc1 ZINC000608542625 1074456697 /nfs/dbraw/zinc/45/66/97/1074456697.db2.gz HZALSHCJNJHZPR-MRXNPFEDSA-N 1 1 419.551 0.457 20 0 HCADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c2)C[C@H](C)O1 ZINC000608547443 1074457333 /nfs/dbraw/zinc/45/73/33/1074457333.db2.gz VRTDCZLXURPDHM-KBPBESRZSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c2)C[C@H](C)O1 ZINC000608547444 1074457384 /nfs/dbraw/zinc/45/73/84/1074457384.db2.gz VRTDCZLXURPDHM-OKILXGFUSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c2)C[C@H](C)O1 ZINC000608547444 1074457377 /nfs/dbraw/zinc/45/73/77/1074457377.db2.gz VRTDCZLXURPDHM-OKILXGFUSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)NCc3nnnn3C3CC3)c2)C[C@@H](C)O1 ZINC000608547445 1074457215 /nfs/dbraw/zinc/45/72/15/1074457215.db2.gz VRTDCZLXURPDHM-ZIAGYGMSSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCc2nnnn2C2CC2)C[C@H](C)O1 ZINC000608547477 1074457193 /nfs/dbraw/zinc/45/71/93/1074457193.db2.gz XKOUJJCFXDYISV-KBPBESRZSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCc2nnnn2C2CC2)C[C@H](C)O1 ZINC000608547478 1074457269 /nfs/dbraw/zinc/45/72/69/1074457269.db2.gz XKOUJJCFXDYISV-OKILXGFUSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCc2nnnn2C2CC2)C[C@H](C)O1 ZINC000608547478 1074457260 /nfs/dbraw/zinc/45/72/60/1074457260.db2.gz XKOUJJCFXDYISV-OKILXGFUSA-N 1 1 413.482 0.872 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCc2nnnn2C2CC2)C[C@@H](C)O1 ZINC000608547479 1074457127 /nfs/dbraw/zinc/45/71/27/1074457127.db2.gz XKOUJJCFXDYISV-ZIAGYGMSSA-N 1 1 413.482 0.872 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608548857 1074459384 /nfs/dbraw/zinc/45/93/84/1074459384.db2.gz NVWPCGGTFHRRNS-KRWDZBQOSA-N 1 1 415.538 0.813 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000608548858 1074459611 /nfs/dbraw/zinc/45/96/11/1074459611.db2.gz NVWPCGGTFHRRNS-QGZVFWFLSA-N 1 1 415.538 0.813 20 0 HCADMO CCN(CCCO)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000608549262 1074459459 /nfs/dbraw/zinc/45/94/59/1074459459.db2.gz XRJVXFIFQLQESE-UHFFFAOYSA-N 1 1 419.526 0.066 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)CCO)cc2)CC1 ZINC000608550472 1074459534 /nfs/dbraw/zinc/45/95/34/1074459534.db2.gz GQQAFBWYKMHNHW-UHFFFAOYSA-N 1 1 404.511 0.928 20 0 HCADMO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000608553087 1074467353 /nfs/dbraw/zinc/46/73/53/1074467353.db2.gz PRQQGXUGBXCXCY-UHFFFAOYSA-N 1 1 408.524 0.381 20 0 HCADMO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)cc12 ZINC000608553627 1074468357 /nfs/dbraw/zinc/46/83/57/1074468357.db2.gz OLOQYGFPEPFASY-CYBMUJFWSA-N 1 1 420.539 0.294 20 0 HCADMO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N(C)CC(=O)N3CC[NH+](C)CC3)cc12 ZINC000608553630 1074468435 /nfs/dbraw/zinc/46/84/35/1074468435.db2.gz OLOQYGFPEPFASY-ZDUSSCGKSA-N 1 1 420.539 0.294 20 0 HCADMO C[C@@H](NC(=O)CNC(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000608559852 1074471055 /nfs/dbraw/zinc/47/10/55/1074471055.db2.gz QVVMLXGTQNEPNG-VQIMIIECSA-N 1 1 406.502 0.916 20 0 HCADMO CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000608560166 1074471093 /nfs/dbraw/zinc/47/10/93/1074471093.db2.gz QKBIMOUEWOXFFK-UHFFFAOYSA-N 1 1 417.919 0.192 20 0 HCADMO COCCNC(=O)C1CC[NH+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000608560251 1074471001 /nfs/dbraw/zinc/47/10/01/1074471001.db2.gz NOWZDOQJASWNBA-HNNXBMFYSA-N 1 1 422.501 0.594 20 0 HCADMO COCCNC(=O)C1CC[NH+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000608560259 1074471146 /nfs/dbraw/zinc/47/11/46/1074471146.db2.gz NOWZDOQJASWNBA-OAHLLOKOSA-N 1 1 422.501 0.594 20 0 HCADMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000608560431 1074470450 /nfs/dbraw/zinc/47/04/50/1074470450.db2.gz MGQOAKPFMJQLAB-GFCCVEGCSA-N 1 1 402.904 0.781 20 0 HCADMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000608560432 1074470515 /nfs/dbraw/zinc/47/05/15/1074470515.db2.gz MGQOAKPFMJQLAB-LBPRGKRZSA-N 1 1 402.904 0.781 20 0 HCADMO CC(C)Cn1c(N)c(C(=O)C[N@@H+](CCO)CCc2ccccc2)c(=O)n(C)c1=O ZINC000608563175 1074471593 /nfs/dbraw/zinc/47/15/93/1074471593.db2.gz DRALGWOIPYIZOL-UHFFFAOYSA-N 1 1 402.495 0.505 20 0 HCADMO CC(C)Cn1c(N)c(C(=O)C[N@H+](CCO)CCc2ccccc2)c(=O)n(C)c1=O ZINC000608563175 1074471583 /nfs/dbraw/zinc/47/15/83/1074471583.db2.gz DRALGWOIPYIZOL-UHFFFAOYSA-N 1 1 402.495 0.505 20 0 HCADMO C[C@H](NC(=O)CNC(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563491 1074471081 /nfs/dbraw/zinc/47/10/81/1074471081.db2.gz FTWULZKBRUQKSW-FXAWDEMLSA-N 1 1 419.545 0.831 20 0 HCADMO C[C@H](NC(=O)CNC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563502 1074471033 /nfs/dbraw/zinc/47/10/33/1074471033.db2.gz FTWULZKBRUQKSW-PXNSSMCTSA-N 1 1 419.545 0.831 20 0 HCADMO C[C@@H](NC(=O)CNC(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563503 1074471137 /nfs/dbraw/zinc/47/11/37/1074471137.db2.gz FTWULZKBRUQKSW-XLIONFOSSA-N 1 1 419.545 0.831 20 0 HCADMO C[C@@H](NC(=O)CNC(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000608563504 1074471725 /nfs/dbraw/zinc/47/17/25/1074471725.db2.gz FTWULZKBRUQKSW-YLJYHZDGSA-N 1 1 419.545 0.831 20 0 HCADMO C[C@@H](CO)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000608564687 1074472193 /nfs/dbraw/zinc/47/21/93/1074472193.db2.gz RLDRTPUXHNHNDF-CYBMUJFWSA-N 1 1 419.931 0.860 20 0 HCADMO C[C@@H](CO)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000608564687 1074472188 /nfs/dbraw/zinc/47/21/88/1074472188.db2.gz RLDRTPUXHNHNDF-CYBMUJFWSA-N 1 1 419.931 0.860 20 0 HCADMO C[C@H](CO)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000608564688 1074472135 /nfs/dbraw/zinc/47/21/35/1074472135.db2.gz RLDRTPUXHNHNDF-ZDUSSCGKSA-N 1 1 419.931 0.860 20 0 HCADMO C[C@H](CO)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000608564688 1074472131 /nfs/dbraw/zinc/47/21/31/1074472131.db2.gz RLDRTPUXHNHNDF-ZDUSSCGKSA-N 1 1 419.931 0.860 20 0 HCADMO Cn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c1)CC2 ZINC000608579945 1074472937 /nfs/dbraw/zinc/47/29/37/1074472937.db2.gz INTUWGMZLQXCPK-GOSISDBHSA-N 1 1 410.478 0.820 20 0 HCADMO Cn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c1)CC2 ZINC000608579945 1074472936 /nfs/dbraw/zinc/47/29/36/1074472936.db2.gz INTUWGMZLQXCPK-GOSISDBHSA-N 1 1 410.478 0.820 20 0 HCADMO Cn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@H+]3CCC[C@H]3C(N)=O)c1)CC2 ZINC000608579946 1074472918 /nfs/dbraw/zinc/47/29/18/1074472918.db2.gz INTUWGMZLQXCPK-SFHVURJKSA-N 1 1 410.478 0.820 20 0 HCADMO Cn1nc2c(cc1=O)CN(C(=O)Nc1cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c1)CC2 ZINC000608579946 1074472916 /nfs/dbraw/zinc/47/29/16/1074472916.db2.gz INTUWGMZLQXCPK-SFHVURJKSA-N 1 1 410.478 0.820 20 0 HCADMO CN1CC[NH+](Cc2ccc(NC(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)cc2)CC1 ZINC000608583173 1074475117 /nfs/dbraw/zinc/47/51/17/1074475117.db2.gz WFORKDNVDOOSMJ-UHFFFAOYSA-N 1 1 424.505 0.425 20 0 HCADMO Cc1c(C(=O)N2CCc3nn(C)c(=O)cc3C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000608590761 1074475714 /nfs/dbraw/zinc/47/57/14/1074475714.db2.gz HNXOONOSEQCLKE-UHFFFAOYSA-N 1 1 419.489 0.856 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000608604103 1074476915 /nfs/dbraw/zinc/47/69/15/1074476915.db2.gz NNXKWNLIKDEBHL-ILXRZTDVSA-N 1 1 407.433 0.878 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H](C(F)(F)F)O1 ZINC000608604111 1074476805 /nfs/dbraw/zinc/47/68/05/1074476805.db2.gz NNXKWNLIKDEBHL-KFWWJZLASA-N 1 1 407.433 0.878 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H](C(F)(F)F)O1 ZINC000608604114 1074476951 /nfs/dbraw/zinc/47/69/51/1074476951.db2.gz NNXKWNLIKDEBHL-QLFBSQMISA-N 1 1 407.433 0.878 20 0 HCADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H](C(F)(F)F)O1 ZINC000608604118 1074476866 /nfs/dbraw/zinc/47/68/66/1074476866.db2.gz NNXKWNLIKDEBHL-RBSFLKMASA-N 1 1 407.433 0.878 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000608613594 1074474470 /nfs/dbraw/zinc/47/44/70/1074474470.db2.gz KRNCCFVDUFBQCB-CABCVRRESA-N 1 1 411.524 0.973 20 0 HCADMO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000608613595 1074474535 /nfs/dbraw/zinc/47/45/35/1074474535.db2.gz KRNCCFVDUFBQCB-GJZGRUSLSA-N 1 1 411.524 0.973 20 0 HCADMO NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000608617425 1074474473 /nfs/dbraw/zinc/47/44/73/1074474473.db2.gz LJMBBFSUZDYCDX-KRWDZBQOSA-N 1 1 410.540 0.773 20 0 HCADMO NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000608617426 1074474447 /nfs/dbraw/zinc/47/44/47/1074474447.db2.gz LJMBBFSUZDYCDX-QGZVFWFLSA-N 1 1 410.540 0.773 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000608625805 1074479928 /nfs/dbraw/zinc/47/99/28/1074479928.db2.gz HGRUIBLPGRCAJV-INIZCTEOSA-N 1 1 411.572 0.419 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000608625808 1074479972 /nfs/dbraw/zinc/47/99/72/1074479972.db2.gz HGRUIBLPGRCAJV-MRXNPFEDSA-N 1 1 411.572 0.419 20 0 HCADMO C[C@@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)CN1CC[NH+](C)CC1 ZINC000608628454 1074480034 /nfs/dbraw/zinc/48/00/34/1074480034.db2.gz LRRGDCOITYPKBF-INIZCTEOSA-N 1 1 403.593 0.421 20 0 HCADMO C[C@H](CNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)CN1CC[NH+](C)CC1 ZINC000608628458 1074480210 /nfs/dbraw/zinc/48/02/10/1074480210.db2.gz LRRGDCOITYPKBF-MRXNPFEDSA-N 1 1 403.593 0.421 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628905 1074480848 /nfs/dbraw/zinc/48/08/48/1074480848.db2.gz ZWNRFMAVYBLOEE-KRWDZBQOSA-N 1 1 417.620 0.811 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000608628909 1074480771 /nfs/dbraw/zinc/48/07/71/1074480771.db2.gz ZWNRFMAVYBLOEE-QGZVFWFLSA-N 1 1 417.620 0.811 20 0 HCADMO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000608629125 1074480724 /nfs/dbraw/zinc/48/07/24/1074480724.db2.gz QJYKSVYDSZVETF-JQHSSLGASA-N 1 1 405.547 0.485 20 0 HCADMO CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000608629131 1074480629 /nfs/dbraw/zinc/48/06/29/1074480629.db2.gz QJYKSVYDSZVETF-NJAFHUGGSA-N 1 1 405.547 0.485 20 0 HCADMO CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000608629133 1074480843 /nfs/dbraw/zinc/48/08/43/1074480843.db2.gz QJYKSVYDSZVETF-NXHRZFHOSA-N 1 1 405.547 0.485 20 0 HCADMO CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)N1CC[NH+](C)CC1 ZINC000608629135 1074480783 /nfs/dbraw/zinc/48/07/83/1074480783.db2.gz QJYKSVYDSZVETF-SZMVWBNQSA-N 1 1 405.547 0.485 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000608629321 1074479832 /nfs/dbraw/zinc/47/98/32/1074479832.db2.gz JZLVHNPCWAYTRU-GOSISDBHSA-N 1 1 417.554 0.992 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000608629322 1074480094 /nfs/dbraw/zinc/48/00/94/1074480094.db2.gz JZLVHNPCWAYTRU-SFHVURJKSA-N 1 1 417.554 0.992 20 0 HCADMO COc1ccc(C[C@H](CO)CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc1O ZINC000608629653 1074480690 /nfs/dbraw/zinc/48/06/90/1074480690.db2.gz PGHLDMIGAOQFPI-KRWDZBQOSA-N 1 1 408.543 0.877 20 0 HCADMO COc1ccc(C[C@@H](CO)CNC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc1O ZINC000608629654 1074480663 /nfs/dbraw/zinc/48/06/63/1074480663.db2.gz 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20 0 HCADMO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664415 1074481888 /nfs/dbraw/zinc/48/18/88/1074481888.db2.gz OJZMDWSQQCJWDH-HYVNUMGLSA-N 1 1 419.530 0.156 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664416 1074481958 /nfs/dbraw/zinc/48/19/58/1074481958.db2.gz OJZMDWSQQCJWDH-OIISXLGYSA-N 1 1 419.530 0.156 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000608664417 1074482049 /nfs/dbraw/zinc/48/20/49/1074482049.db2.gz OJZMDWSQQCJWDH-PVAVHDDUSA-N 1 1 419.530 0.156 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000608674534 1074483305 /nfs/dbraw/zinc/48/33/05/1074483305.db2.gz GPOVDUQCKZGRGN-CRAIPNDOSA-N 1 1 401.511 0.804 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000608674535 1074483442 /nfs/dbraw/zinc/48/34/42/1074483442.db2.gz GPOVDUQCKZGRGN-MAUKXSAKSA-N 1 1 401.511 0.804 20 0 HCADMO 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C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608732649 1074495371 /nfs/dbraw/zinc/49/53/71/1074495371.db2.gz DSKKCIFBVKEQCN-RYRKJORJSA-N 1 1 404.515 0.810 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000608732650 1074495348 /nfs/dbraw/zinc/49/53/48/1074495348.db2.gz DSKKCIFBVKEQCN-SOLBZPMBSA-N 1 1 404.515 0.810 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733990 1074498114 /nfs/dbraw/zinc/49/81/14/1074498114.db2.gz CDBUSKQRDHRFOE-AOIWGVFYSA-N 1 1 417.558 0.725 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733993 1074498133 /nfs/dbraw/zinc/49/81/33/1074498133.db2.gz CDBUSKQRDHRFOE-LMMKCTJWSA-N 1 1 417.558 0.725 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733994 1074498148 /nfs/dbraw/zinc/49/81/48/1074498148.db2.gz CDBUSKQRDHRFOE-ZHALLVOQSA-N 1 1 417.558 0.725 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608733995 1074498055 /nfs/dbraw/zinc/49/80/55/1074498055.db2.gz CDBUSKQRDHRFOE-ZIFCJYIRSA-N 1 1 417.558 0.725 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734275 1074497285 /nfs/dbraw/zinc/49/72/85/1074497285.db2.gz CZSKENZSRZKAQF-JFIYKMOQSA-N 1 1 403.531 0.335 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734276 1074497404 /nfs/dbraw/zinc/49/74/04/1074497404.db2.gz CZSKENZSRZKAQF-NUJGCVRESA-N 1 1 403.531 0.335 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734277 1074497557 /nfs/dbraw/zinc/49/75/57/1074497557.db2.gz CZSKENZSRZKAQF-RYRKJORJSA-N 1 1 403.531 0.335 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C(=O)N1c1cnn(C)c1 ZINC000608734278 1074497363 /nfs/dbraw/zinc/49/73/63/1074497363.db2.gz CZSKENZSRZKAQF-SOLBZPMBSA-N 1 1 403.531 0.335 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736791 1074499624 /nfs/dbraw/zinc/49/96/24/1074499624.db2.gz VJVYFGRBDJNMRX-CRAIPNDOSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736791 1074499612 /nfs/dbraw/zinc/49/96/12/1074499612.db2.gz VJVYFGRBDJNMRX-CRAIPNDOSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736796 1074499728 /nfs/dbraw/zinc/49/97/28/1074499728.db2.gz VJVYFGRBDJNMRX-MAUKXSAKSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736796 1074499718 /nfs/dbraw/zinc/49/97/18/1074499718.db2.gz VJVYFGRBDJNMRX-MAUKXSAKSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736798 1074499866 /nfs/dbraw/zinc/49/98/66/1074499866.db2.gz VJVYFGRBDJNMRX-QAPCUYQASA-N 1 1 405.547 0.581 20 0 HCADMO C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736798 1074499853 /nfs/dbraw/zinc/49/98/53/1074499853.db2.gz VJVYFGRBDJNMRX-QAPCUYQASA-N 1 1 405.547 0.581 20 0 HCADMO C[C@H]1C[C@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736800 1074499789 /nfs/dbraw/zinc/49/97/89/1074499789.db2.gz VJVYFGRBDJNMRX-YJBOKZPZSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C(=O)N1c1cnn(C)c1 ZINC000608736800 1074499774 /nfs/dbraw/zinc/49/97/74/1074499774.db2.gz VJVYFGRBDJNMRX-YJBOKZPZSA-N 1 1 405.547 0.581 20 0 HCADMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000608745209 1074491226 /nfs/dbraw/zinc/49/12/26/1074491226.db2.gz GWIHZGIFZOFXJE-HNNXBMFYSA-N 1 1 417.553 0.328 20 0 HCADMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000608745210 1074491210 /nfs/dbraw/zinc/49/12/10/1074491210.db2.gz GWIHZGIFZOFXJE-OAHLLOKOSA-N 1 1 417.553 0.328 20 0 HCADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608762985 1074501494 /nfs/dbraw/zinc/50/14/94/1074501494.db2.gz ZIBJPIBDVQXDAY-GOSISDBHSA-N 1 1 418.538 0.927 20 0 HCADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608762986 1074501550 /nfs/dbraw/zinc/50/15/50/1074501550.db2.gz ZIBJPIBDVQXDAY-SFHVURJKSA-N 1 1 418.538 0.927 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cc1 ZINC000608776537 1074502978 /nfs/dbraw/zinc/50/29/78/1074502978.db2.gz CZKGKZQOFDHUBR-KRWDZBQOSA-N 1 1 414.462 0.681 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cc1 ZINC000608776538 1074502889 /nfs/dbraw/zinc/50/28/89/1074502889.db2.gz CZKGKZQOFDHUBR-QGZVFWFLSA-N 1 1 414.462 0.681 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)cc1 ZINC000608776932 1074503507 /nfs/dbraw/zinc/50/35/07/1074503507.db2.gz POCOPALKHGFXSI-UHFFFAOYSA-N 1 1 411.453 0.971 20 0 HCADMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000608777188 1074502918 /nfs/dbraw/zinc/50/29/18/1074502918.db2.gz XGMMJBQFEVVTQQ-IBGZPJMESA-N 1 1 401.511 0.846 20 0 HCADMO CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000608777189 1074503058 /nfs/dbraw/zinc/50/30/58/1074503058.db2.gz XGMMJBQFEVVTQQ-LJQANCHMSA-N 1 1 401.511 0.846 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000608777423 1074502959 /nfs/dbraw/zinc/50/29/59/1074502959.db2.gz USDOZFIQHZIIAB-CYBMUJFWSA-N 1 1 402.373 0.915 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000608777424 1074503004 /nfs/dbraw/zinc/50/30/04/1074503004.db2.gz USDOZFIQHZIIAB-ZDUSSCGKSA-N 1 1 402.373 0.915 20 0 HCADMO COC(=O)CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccccc1 ZINC000608779808 1074503576 /nfs/dbraw/zinc/50/35/76/1074503576.db2.gz BYVDLHVWGJZWRQ-UHFFFAOYSA-N 1 1 413.478 0.889 20 0 HCADMO 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CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000608832956 1074509045 /nfs/dbraw/zinc/50/90/45/1074509045.db2.gz IQJDGZFHHOWAJS-MRXNPFEDSA-N 1 1 422.478 0.889 20 0 HCADMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000608832956 1074509029 /nfs/dbraw/zinc/50/90/29/1074509029.db2.gz IQJDGZFHHOWAJS-MRXNPFEDSA-N 1 1 422.478 0.889 20 0 HCADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000608866047 1074513349 /nfs/dbraw/zinc/51/33/49/1074513349.db2.gz XRLVQWSIXASNMM-KBPBESRZSA-N 1 1 411.528 0.747 20 0 HCADMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000608866048 1074513113 /nfs/dbraw/zinc/51/31/13/1074513113.db2.gz XRLVQWSIXASNMM-KGLIPLIRSA-N 1 1 411.528 0.747 20 0 HCADMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)no1 ZINC000608866049 1074513213 /nfs/dbraw/zinc/51/32/13/1074513213.db2.gz XRLVQWSIXASNMM-UONOGXRCSA-N 1 1 411.528 0.747 20 0 HCADMO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)[nH]1 ZINC000608879468 1074515215 /nfs/dbraw/zinc/51/52/15/1074515215.db2.gz UWBBADUOSWZHFY-UHFFFAOYSA-N 1 1 412.450 0.892 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccccc1I ZINC000608891596 1074521212 /nfs/dbraw/zinc/52/12/12/1074521212.db2.gz XUHBSFZQQVUTIV-UHFFFAOYSA-N 1 1 419.263 0.715 20 0 HCADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608923483 1074522590 /nfs/dbraw/zinc/52/25/90/1074522590.db2.gz XOKAGTPOHRTMER-PMACEKPBSA-N 1 1 401.507 0.910 20 0 HCADMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608923486 1074522500 /nfs/dbraw/zinc/52/25/00/1074522500.db2.gz XOKAGTPOHRTMER-UXHICEINSA-N 1 1 401.507 0.910 20 0 HCADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608923487 1074522657 /nfs/dbraw/zinc/52/26/57/1074522657.db2.gz XOKAGTPOHRTMER-VQTJNVASSA-N 1 1 401.507 0.910 20 0 HCADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608923488 1074522883 /nfs/dbraw/zinc/52/28/83/1074522883.db2.gz XOKAGTPOHRTMER-WOJBJXKFSA-N 1 1 401.507 0.910 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000609027279 1074532762 /nfs/dbraw/zinc/53/27/62/1074532762.db2.gz HRNMFMRPSPMGAF-UHFFFAOYSA-N 1 1 411.462 0.989 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000609052936 1074536307 /nfs/dbraw/zinc/53/63/07/1074536307.db2.gz QUKUOXKKADSHNW-UHFFFAOYSA-N 1 1 404.467 0.471 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000609053160 1074536351 /nfs/dbraw/zinc/53/63/51/1074536351.db2.gz WAUSKSQMCRIWMQ-UHFFFAOYSA-N 1 1 418.494 0.400 20 0 HCADMO COC(=O)[C@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000609123781 1075843283 /nfs/dbraw/zinc/84/32/83/1075843283.db2.gz AYLOGHLVGVJSQC-INIZCTEOSA-N 1 1 417.510 0.924 20 0 HCADMO COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)C1 ZINC000609123782 1075843264 /nfs/dbraw/zinc/84/32/64/1075843264.db2.gz AYLOGHLVGVJSQC-MRXNPFEDSA-N 1 1 417.510 0.924 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156978 1077284150 /nfs/dbraw/zinc/28/41/50/1077284150.db2.gz ABIDKMQZSFMITO-HKUYNNGSSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156978 1077284143 /nfs/dbraw/zinc/28/41/43/1077284143.db2.gz ABIDKMQZSFMITO-HKUYNNGSSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156979 1077284352 /nfs/dbraw/zinc/28/43/52/1077284352.db2.gz ABIDKMQZSFMITO-IEBWSBKVSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156979 1077284344 /nfs/dbraw/zinc/28/43/44/1077284344.db2.gz ABIDKMQZSFMITO-IEBWSBKVSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156980 1077284439 /nfs/dbraw/zinc/28/44/39/1077284439.db2.gz ABIDKMQZSFMITO-MJGOQNOKSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@H](O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609156980 1077284435 /nfs/dbraw/zinc/28/44/35/1077284435.db2.gz ABIDKMQZSFMITO-MJGOQNOKSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156981 1077284219 /nfs/dbraw/zinc/28/42/19/1077284219.db2.gz ABIDKMQZSFMITO-PKOBYXMFSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(OC[C@@H](O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609156981 1077284212 /nfs/dbraw/zinc/28/42/12/1077284212.db2.gz ABIDKMQZSFMITO-PKOBYXMFSA-N 1 1 405.495 0.627 20 0 HCADMO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609157045 1077284399 /nfs/dbraw/zinc/28/43/99/1077284399.db2.gz LUAZAFLHAKXFRM-BEFAXECRSA-N 1 1 416.522 0.892 20 0 HCADMO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609157048 1077284295 /nfs/dbraw/zinc/28/42/95/1077284295.db2.gz LUAZAFLHAKXFRM-DNVCBOLYSA-N 1 1 416.522 0.892 20 0 HCADMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000609157049 1077284128 /nfs/dbraw/zinc/28/41/28/1077284128.db2.gz LUAZAFLHAKXFRM-HNAYVOBHSA-N 1 1 416.522 0.892 20 0 HCADMO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000609157050 1077284699 /nfs/dbraw/zinc/28/46/99/1077284699.db2.gz LUAZAFLHAKXFRM-KXBFYZLASA-N 1 1 416.522 0.892 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000609157120 1077284681 /nfs/dbraw/zinc/28/46/81/1077284681.db2.gz VDDFTGYUVCENNP-HNNXBMFYSA-N 1 1 417.466 0.478 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000609157124 1077283888 /nfs/dbraw/zinc/28/38/88/1077283888.db2.gz VDDFTGYUVCENNP-OAHLLOKOSA-N 1 1 417.466 0.478 20 0 HCADMO C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157136 1077284002 /nfs/dbraw/zinc/28/40/02/1077284002.db2.gz WBGCBUCPYXRXDW-CRAIPNDOSA-N 1 1 401.511 0.815 20 0 HCADMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609157138 1077284309 /nfs/dbraw/zinc/28/43/09/1077284309.db2.gz WBGCBUCPYXRXDW-MAUKXSAKSA-N 1 1 401.511 0.815 20 0 HCADMO C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157140 1077284262 /nfs/dbraw/zinc/28/42/62/1077284262.db2.gz WBGCBUCPYXRXDW-QAPCUYQASA-N 1 1 401.511 0.815 20 0 HCADMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157142 1077284385 /nfs/dbraw/zinc/28/43/85/1077284385.db2.gz WBGCBUCPYXRXDW-YJBOKZPZSA-N 1 1 401.511 0.815 20 0 HCADMO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NC(=O)NCc3ccco3)CC2)cn1 ZINC000609157842 1077292279 /nfs/dbraw/zinc/29/22/79/1077292279.db2.gz ITXVDVIUXJJHDI-UHFFFAOYSA-N 1 1 402.455 0.481 20 0 HCADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000609159689 1077307409 /nfs/dbraw/zinc/30/74/09/1077307409.db2.gz YIXXJXLLKQZJQK-AWEZNQCLSA-N 1 1 413.496 0.468 20 0 HCADMO COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000609159691 1077307485 /nfs/dbraw/zinc/30/74/85/1077307485.db2.gz YIXXJXLLKQZJQK-CQSZACIVSA-N 1 1 413.496 0.468 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000609196390 1077518948 /nfs/dbraw/zinc/51/89/48/1077518948.db2.gz GIZDNSSQBWADCP-CYBMUJFWSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000609196390 1077518934 /nfs/dbraw/zinc/51/89/34/1077518934.db2.gz GIZDNSSQBWADCP-CYBMUJFWSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000609196392 1077519089 /nfs/dbraw/zinc/51/90/89/1077519089.db2.gz GIZDNSSQBWADCP-ZDUSSCGKSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000609196392 1077519080 /nfs/dbraw/zinc/51/90/80/1077519080.db2.gz GIZDNSSQBWADCP-ZDUSSCGKSA-N 1 1 403.526 0.756 20 0 HCADMO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000609196459 1077518070 /nfs/dbraw/zinc/51/80/70/1077518070.db2.gz JYIUKAORIRRREL-INIZCTEOSA-N 1 1 418.560 0.039 20 0 HCADMO CCOC(=O)C1CCN(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000609196464 1077518256 /nfs/dbraw/zinc/51/82/56/1077518256.db2.gz JYIUKAORIRRREL-MRXNPFEDSA-N 1 1 418.560 0.039 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000609196875 1077518327 /nfs/dbraw/zinc/51/83/27/1077518327.db2.gz VOWGVSBLZIRHNN-GFCCVEGCSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000609196875 1077518316 /nfs/dbraw/zinc/51/83/16/1077518316.db2.gz VOWGVSBLZIRHNN-GFCCVEGCSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000609196876 1077518129 /nfs/dbraw/zinc/51/81/29/1077518129.db2.gz VOWGVSBLZIRHNN-LBPRGKRZSA-N 1 1 403.526 0.756 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000609196876 1077518116 /nfs/dbraw/zinc/51/81/16/1077518116.db2.gz VOWGVSBLZIRHNN-LBPRGKRZSA-N 1 1 403.526 0.756 20 0 HCADMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000609200387 1077528138 /nfs/dbraw/zinc/52/81/38/1077528138.db2.gz ZMFIQTBUPMRHKG-INIZCTEOSA-N 1 1 409.508 0.648 20 0 HCADMO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000609200389 1077528209 /nfs/dbraw/zinc/52/82/09/1077528209.db2.gz ZMFIQTBUPMRHKG-MRXNPFEDSA-N 1 1 409.508 0.648 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000609201898 1077537653 /nfs/dbraw/zinc/53/76/53/1077537653.db2.gz CDKLDSGKLQOOTP-GFCCVEGCSA-N 1 1 401.510 0.319 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000609201899 1077537745 /nfs/dbraw/zinc/53/77/45/1077537745.db2.gz CDKLDSGKLQOOTP-LBPRGKRZSA-N 1 1 401.510 0.319 20 0 HCADMO CC1(C)CN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000609204491 1077539868 /nfs/dbraw/zinc/53/98/68/1077539868.db2.gz REVSVMWBLZBWPZ-KRWDZBQOSA-N 1 1 422.551 0.596 20 0 HCADMO CC1(C)CN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000609204493 1077539923 /nfs/dbraw/zinc/53/99/23/1077539923.db2.gz REVSVMWBLZBWPZ-QGZVFWFLSA-N 1 1 422.551 0.596 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000609204716 1077539770 /nfs/dbraw/zinc/53/97/70/1077539770.db2.gz MLKAEJCOLIYFDN-HNNXBMFYSA-N 1 1 419.482 0.298 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000609204718 1077539516 /nfs/dbraw/zinc/53/95/16/1077539516.db2.gz MLKAEJCOLIYFDN-OAHLLOKOSA-N 1 1 419.482 0.298 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609204719 1077539365 /nfs/dbraw/zinc/53/93/65/1077539365.db2.gz MPMPULLVNRTREG-KRWDZBQOSA-N 1 1 404.467 0.918 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000609204727 1077539497 /nfs/dbraw/zinc/53/94/97/1077539497.db2.gz MPMPULLVNRTREG-QGZVFWFLSA-N 1 1 404.467 0.918 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000609206353 1077538888 /nfs/dbraw/zinc/53/88/88/1077538888.db2.gz VGPVEZPILKUOHG-GOSISDBHSA-N 1 1 418.494 0.847 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609206355 1077539034 /nfs/dbraw/zinc/53/90/34/1077539034.db2.gz VGPVEZPILKUOHG-SFHVURJKSA-N 1 1 418.494 0.847 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000609214511 1077701829 /nfs/dbraw/zinc/70/18/29/1077701829.db2.gz CGXBHBDKDFZBEI-UHFFFAOYSA-N 1 1 405.499 0.739 20 0 HCADMO C[C@H](c1cccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000609221001 1077875492 /nfs/dbraw/zinc/87/54/92/1077875492.db2.gz DSFGWPYQOIXRCS-PBHICJAKSA-N 1 1 424.523 0.505 20 0 HCADMO C[C@H](c1cccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000609221002 1077875511 /nfs/dbraw/zinc/87/55/11/1077875511.db2.gz DSFGWPYQOIXRCS-RHSMWYFYSA-N 1 1 424.523 0.505 20 0 HCADMO C[C@@H](c1cccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000609221003 1077875477 /nfs/dbraw/zinc/87/54/77/1077875477.db2.gz DSFGWPYQOIXRCS-WMLDXEAASA-N 1 1 424.523 0.505 20 0 HCADMO C[C@@H](c1cccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1)[NH+]1CCOCC1 ZINC000609221004 1077878173 /nfs/dbraw/zinc/87/81/73/1077878173.db2.gz DSFGWPYQOIXRCS-YOEHRIQHSA-N 1 1 424.523 0.505 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSCc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000609223259 1077946930 /nfs/dbraw/zinc/94/69/30/1077946930.db2.gz VVNZVJAMYMOKKO-CYBMUJFWSA-N 1 1 408.528 0.775 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000609223277 1077947164 /nfs/dbraw/zinc/94/71/64/1077947164.db2.gz VVNZVJAMYMOKKO-ZDUSSCGKSA-N 1 1 408.528 0.775 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 ZINC000609225842 1077975001 /nfs/dbraw/zinc/97/50/01/1077975001.db2.gz KGDHNLFSOQZNBE-UHFFFAOYSA-N 1 1 404.467 0.057 20 0 HCADMO CN(C(=O)c1ccc([S@@](C)=O)cc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609266904 1078337947 /nfs/dbraw/zinc/33/79/47/1078337947.db2.gz KKESOVDEUVFEJK-GDLZYMKVSA-N 1 1 420.579 0.734 20 0 HCADMO CN(C(=O)c1ccc([S@](C)=O)cc1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000609266906 1078337890 /nfs/dbraw/zinc/33/78/90/1078337890.db2.gz KKESOVDEUVFEJK-LJAQVGFWSA-N 1 1 420.579 0.734 20 0 HCADMO COC(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000609266931 1078335129 /nfs/dbraw/zinc/33/51/29/1078335129.db2.gz MTNWFRGQBQVMCO-UHFFFAOYSA-N 1 1 416.522 0.784 20 0 HCADMO COC(=O)c1cccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000609267231 1078336521 /nfs/dbraw/zinc/33/65/21/1078336521.db2.gz YIDBAHOYYUIIRU-UHFFFAOYSA-N 1 1 416.522 0.784 20 0 HCADMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1 ZINC000609269727 1078354025 /nfs/dbraw/zinc/35/40/25/1078354025.db2.gz WFXMYYOZAADBJC-INIZCTEOSA-N 1 1 416.478 0.722 20 0 HCADMO 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CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C[C@@H]4CCC[N@@H+]4CC)C3)C2)CC1 ZINC000609321336 1079213690 /nfs/dbraw/zinc/21/36/90/1079213690.db2.gz HJHGTGYOYFTBQF-SLFFLAALSA-N 1 1 405.587 0.558 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C[C@H]4CCC[N@H+]4CC)C3)C2)CC1 ZINC000609321337 1079213552 /nfs/dbraw/zinc/21/35/52/1079213552.db2.gz HJHGTGYOYFTBQF-VAMGGRTRSA-N 1 1 405.587 0.558 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)C2)CC1 ZINC000609321337 1079213542 /nfs/dbraw/zinc/21/35/42/1079213542.db2.gz HJHGTGYOYFTBQF-VAMGGRTRSA-N 1 1 405.587 0.558 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C[C@H]4CCC[N@H+]4CC)C3)C2)CC1 ZINC000609321338 1079213722 /nfs/dbraw/zinc/21/37/22/1079213722.db2.gz HJHGTGYOYFTBQF-XUVXKRRUSA-N 1 1 405.587 0.558 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C[C@H]4CCC[N@@H+]4CC)C3)C2)CC1 ZINC000609321338 1079213716 /nfs/dbraw/zinc/21/37/16/1079213716.db2.gz HJHGTGYOYFTBQF-XUVXKRRUSA-N 1 1 405.587 0.558 20 0 HCADMO CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000609324060 1079224483 /nfs/dbraw/zinc/22/44/83/1079224483.db2.gz REHLGBADNHEOCR-IBGZPJMESA-N 1 1 417.554 0.804 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC000609324062 1079224752 /nfs/dbraw/zinc/22/47/52/1079224752.db2.gz REHLGBADNHEOCR-LJQANCHMSA-N 1 1 417.554 0.804 20 0 HCADMO CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000609324184 1079220197 /nfs/dbraw/zinc/22/01/97/1079220197.db2.gz WGWVBFCWXRYMLS-IBGZPJMESA-N 1 1 417.554 0.804 20 0 HCADMO CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)C2)CC1 ZINC000609324185 1079219917 /nfs/dbraw/zinc/21/99/17/1079219917.db2.gz WGWVBFCWXRYMLS-LJQANCHMSA-N 1 1 417.554 0.804 20 0 HCADMO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000609331453 1079245440 /nfs/dbraw/zinc/24/54/40/1079245440.db2.gz LGZXHYJBLORHSJ-CVEARBPZSA-N 1 1 407.602 0.761 20 0 HCADMO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000609331454 1079245328 /nfs/dbraw/zinc/24/53/28/1079245328.db2.gz LGZXHYJBLORHSJ-HOTGVXAUSA-N 1 1 407.602 0.761 20 0 HCADMO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000609331455 1079245244 /nfs/dbraw/zinc/24/52/44/1079245244.db2.gz LGZXHYJBLORHSJ-HZPDHXFCSA-N 1 1 407.602 0.761 20 0 HCADMO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000609331457 1079245470 /nfs/dbraw/zinc/24/54/70/1079245470.db2.gz LGZXHYJBLORHSJ-JKSUJKDBSA-N 1 1 407.602 0.761 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000609352605 1079248644 /nfs/dbraw/zinc/24/86/44/1079248644.db2.gz HKRJASYFFVDDPE-CYBMUJFWSA-N 1 1 403.888 0.745 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000609352605 1079248633 /nfs/dbraw/zinc/24/86/33/1079248633.db2.gz HKRJASYFFVDDPE-CYBMUJFWSA-N 1 1 403.888 0.745 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 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/nfs/dbraw/zinc/25/77/06/1079257706.db2.gz SAMLRLGRPKFCMV-KRWDZBQOSA-N 1 1 416.478 0.519 20 0 HCADMO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000609405242 1079257765 /nfs/dbraw/zinc/25/77/65/1079257765.db2.gz SAMLRLGRPKFCMV-QGZVFWFLSA-N 1 1 416.478 0.519 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000609405356 1079257846 /nfs/dbraw/zinc/25/78/46/1079257846.db2.gz ZLAXLNFIQHADJU-MRXNPFEDSA-N 1 1 402.451 0.128 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(CC(=O)NC(=O)NCc3ccco3)CC2)CC1 ZINC000609417828 1079259933 /nfs/dbraw/zinc/25/99/33/1079259933.db2.gz HNPBKCTXFYGHEA-UHFFFAOYSA-N 1 1 419.526 0.872 20 0 HCADMO COC(=O)c1cccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000609418869 1079260146 /nfs/dbraw/zinc/26/01/46/1079260146.db2.gz DEFDZFBQIMOVIV-INIZCTEOSA-N 1 1 409.508 0.884 20 0 HCADMO COC(=O)c1cccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1C ZINC000609418869 1079260134 /nfs/dbraw/zinc/26/01/34/1079260134.db2.gz 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HVPPWLDADHGCKX-QGZVFWFLSA-N 1 1 420.510 0.688 20 0 HCADMO COC(=O)c1ccc(CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609685439 1078514947 /nfs/dbraw/zinc/51/49/47/1078514947.db2.gz WLTWPKDULIGCHQ-IBGZPJMESA-N 1 1 404.511 0.721 20 0 HCADMO COC(=O)c1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609685440 1078514919 /nfs/dbraw/zinc/51/49/19/1078514919.db2.gz WLTWPKDULIGCHQ-LJQANCHMSA-N 1 1 404.511 0.721 20 0 HCADMO COC(=O)COc1cccc(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000609686205 1078517102 /nfs/dbraw/zinc/51/71/02/1078517102.db2.gz RGDYBLKKDILODE-UHFFFAOYSA-N 1 1 406.483 0.590 20 0 HCADMO COC(=O)c1ccc(OCCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609686208 1078517040 /nfs/dbraw/zinc/51/70/40/1078517040.db2.gz RKGMYFKSXUGOBD-GOSISDBHSA-N 1 1 420.510 0.558 20 0 HCADMO COC(=O)c1ccc(OCCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000609686209 1078516789 /nfs/dbraw/zinc/51/67/89/1078516789.db2.gz RKGMYFKSXUGOBD-SFHVURJKSA-N 1 1 420.510 0.558 20 0 HCADMO COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000609686347 1078516083 /nfs/dbraw/zinc/51/60/83/1078516083.db2.gz BXMSPBICIJJFDY-IBGZPJMESA-N 1 1 402.495 0.905 20 0 HCADMO COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000609686348 1078516597 /nfs/dbraw/zinc/51/65/97/1078516597.db2.gz BXMSPBICIJJFDY-LJQANCHMSA-N 1 1 402.495 0.905 20 0 HCADMO COC(=O)c1cc(CN(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)oc1C ZINC000609686468 1078515716 /nfs/dbraw/zinc/51/57/16/1078515716.db2.gz KFDBYOUFWCFVCD-INIZCTEOSA-N 1 1 408.499 0.923 20 0 HCADMO COC(=O)c1cc(CN(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)oc1C ZINC000609686469 1078516237 /nfs/dbraw/zinc/51/62/37/1078516237.db2.gz KFDBYOUFWCFVCD-MRXNPFEDSA-N 1 1 408.499 0.923 20 0 HCADMO COC(=O)COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000609687964 1078517474 /nfs/dbraw/zinc/51/74/74/1078517474.db2.gz YXCIJHQGVCSGHH-GOSISDBHSA-N 1 1 420.510 0.444 20 0 HCADMO COC(=O)COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000609687966 1078518154 /nfs/dbraw/zinc/51/81/54/1078518154.db2.gz YXCIJHQGVCSGHH-SFHVURJKSA-N 1 1 420.510 0.444 20 0 HCADMO COC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000609690362 1078519060 /nfs/dbraw/zinc/51/90/60/1078519060.db2.gz BOYOGUWDSYHYLP-INIZCTEOSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000609690363 1078518770 /nfs/dbraw/zinc/51/87/70/1078518770.db2.gz BOYOGUWDSYHYLP-MRXNPFEDSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000609690399 1078518815 /nfs/dbraw/zinc/51/88/15/1078518815.db2.gz FBJLSZYSLXFZDA-KRWDZBQOSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000609690400 1078518983 /nfs/dbraw/zinc/51/89/83/1078518983.db2.gz FBJLSZYSLXFZDA-QGZVFWFLSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609690435 1078519016 /nfs/dbraw/zinc/51/90/16/1078519016.db2.gz HQOHKGMIUDSASU-KRWDZBQOSA-N 1 1 418.494 0.415 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609690436 1078518886 /nfs/dbraw/zinc/51/88/86/1078518886.db2.gz HQOHKGMIUDSASU-QGZVFWFLSA-N 1 1 418.494 0.415 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000609690452 1078518946 /nfs/dbraw/zinc/51/89/46/1078518946.db2.gz JJRLQGGFJJFAIQ-UHFFFAOYSA-N 1 1 407.467 0.482 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609690459 1078518335 /nfs/dbraw/zinc/51/83/35/1078518335.db2.gz KKXIHMRZIBNUPW-KRWDZBQOSA-N 1 1 418.494 0.415 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609690460 1078518248 /nfs/dbraw/zinc/51/82/48/1078518248.db2.gz KKXIHMRZIBNUPW-QGZVFWFLSA-N 1 1 418.494 0.415 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000609690475 1078518381 /nfs/dbraw/zinc/51/83/81/1078518381.db2.gz LHXYTWBBCNUCID-UHFFFAOYSA-N 1 1 421.494 0.791 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000609690486 1078518407 /nfs/dbraw/zinc/51/84/07/1078518407.db2.gz LXNKJLIUJYHWLC-GOSISDBHSA-N 1 1 419.478 0.259 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)c2ccccc2O1 ZINC000609690487 1078518310 /nfs/dbraw/zinc/51/83/10/1078518310.db2.gz LXNKJLIUJYHWLC-SFHVURJKSA-N 1 1 419.478 0.259 20 0 HCADMO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609690553 1078518746 /nfs/dbraw/zinc/51/87/46/1078518746.db2.gz QAVGMQBZSDBMKM-HNNXBMFYSA-N 1 1 406.458 0.789 20 0 HCADMO COC(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609690554 1078518627 /nfs/dbraw/zinc/51/86/27/1078518627.db2.gz QAVGMQBZSDBMKM-OAHLLOKOSA-N 1 1 406.458 0.789 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000609690575 1078518703 /nfs/dbraw/zinc/51/87/03/1078518703.db2.gz RMXNGGIPQXNDPH-UHFFFAOYSA-N 1 1 407.467 0.482 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(F)cc1F ZINC000609690716 1078520219 /nfs/dbraw/zinc/52/02/19/1078520219.db2.gz CFMFACHBTGQEKB-CYBMUJFWSA-N 1 1 424.448 0.928 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(F)cc1F ZINC000609690717 1078520296 /nfs/dbraw/zinc/52/02/96/1078520296.db2.gz CFMFACHBTGQEKB-ZDUSSCGKSA-N 1 1 424.448 0.928 20 0 HCADMO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609690784 1078510148 /nfs/dbraw/zinc/51/01/48/1078510148.db2.gz GPCWYKHTUOETCY-IBGZPJMESA-N 1 1 416.522 0.969 20 0 HCADMO COC(=O)CCc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609690786 1078510315 /nfs/dbraw/zinc/51/03/15/1078510315.db2.gz GPCWYKHTUOETCY-LJQANCHMSA-N 1 1 416.522 0.969 20 0 HCADMO COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609691192 1078510081 /nfs/dbraw/zinc/51/00/81/1078510081.db2.gz PYSXYRCCHWHBAB-KRWDZBQOSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000609691194 1078510194 /nfs/dbraw/zinc/51/01/94/1078510194.db2.gz PYSXYRCCHWHBAB-QGZVFWFLSA-N 1 1 402.495 0.959 20 0 HCADMO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609691255 1078510258 /nfs/dbraw/zinc/51/02/58/1078510258.db2.gz QSTZTYLSDRMWHQ-GOSISDBHSA-N 1 1 402.495 0.579 20 0 HCADMO COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000609691260 1078510214 /nfs/dbraw/zinc/51/02/14/1078510214.db2.gz QSTZTYLSDRMWHQ-SFHVURJKSA-N 1 1 402.495 0.579 20 0 HCADMO CCOC(=O)CCS(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000609691911 1078523272 /nfs/dbraw/zinc/52/32/72/1078523272.db2.gz YUSKSNUKZXQDHX-GOSISDBHSA-N 1 1 423.535 0.865 20 0 HCADMO CCOC(=O)CCS(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000609691912 1078523180 /nfs/dbraw/zinc/52/31/80/1078523180.db2.gz YUSKSNUKZXQDHX-SFHVURJKSA-N 1 1 423.535 0.865 20 0 HCADMO CCOC(=O)CCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609692352 1078511172 /nfs/dbraw/zinc/51/11/72/1078511172.db2.gz OCEYDLUBLIUONR-KRWDZBQOSA-N 1 1 411.524 0.757 20 0 HCADMO CCOC(=O)CCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609692354 1078510945 /nfs/dbraw/zinc/51/09/45/1078510945.db2.gz OCEYDLUBLIUONR-QGZVFWFLSA-N 1 1 411.524 0.757 20 0 HCADMO CCOC(=O)CCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000609692447 1078510289 /nfs/dbraw/zinc/51/02/89/1078510289.db2.gz UGVBSBWGFBVYFF-UHFFFAOYSA-N 1 1 403.545 0.536 20 0 HCADMO CCOC(=O)CCCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000609706668 1078521041 /nfs/dbraw/zinc/52/10/41/1078521041.db2.gz QJANFTMLEABPLL-UHFFFAOYSA-N 1 1 411.524 0.837 20 0 HCADMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)NC(=O)NC1CC1 ZINC000609740797 1078535649 /nfs/dbraw/zinc/53/56/49/1078535649.db2.gz ILSMHRCFNFSSCY-AWEZNQCLSA-N 1 1 423.539 0.089 20 0 HCADMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)NC(=O)NC1CC1 ZINC000609740798 1078535437 /nfs/dbraw/zinc/53/54/37/1078535437.db2.gz ILSMHRCFNFSSCY-CQSZACIVSA-N 1 1 423.539 0.089 20 0 HCADMO Cc1nnc2n1C[C@H](CNC(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000609745668 1078528813 /nfs/dbraw/zinc/52/88/13/1078528813.db2.gz HZUBYKVLNGUAFW-KRWDZBQOSA-N 1 1 413.530 0.450 20 0 HCADMO Cc1nnc2n1C[C@@H](CNC(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000609745669 1078528521 /nfs/dbraw/zinc/52/85/21/1078528521.db2.gz HZUBYKVLNGUAFW-QGZVFWFLSA-N 1 1 413.530 0.450 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000609754582 1078536518 /nfs/dbraw/zinc/53/65/18/1078536518.db2.gz UBHYOSHQKXROQW-KRWDZBQOSA-N 1 1 405.547 0.735 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC000609754582 1078536510 /nfs/dbraw/zinc/53/65/10/1078536510.db2.gz UBHYOSHQKXROQW-KRWDZBQOSA-N 1 1 405.547 0.735 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000609754583 1078536674 /nfs/dbraw/zinc/53/66/74/1078536674.db2.gz UBHYOSHQKXROQW-QGZVFWFLSA-N 1 1 405.547 0.735 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 ZINC000609754583 1078536666 /nfs/dbraw/zinc/53/66/66/1078536666.db2.gz UBHYOSHQKXROQW-QGZVFWFLSA-N 1 1 405.547 0.735 20 0 HCADMO Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779133 1078540727 /nfs/dbraw/zinc/54/07/27/1078540727.db2.gz QNIYZNUABLHZAQ-MOPGFXCFSA-N 1 1 419.574 0.585 20 0 HCADMO Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779148 1078541432 /nfs/dbraw/zinc/54/14/32/1078541432.db2.gz QNIYZNUABLHZAQ-OALUTQOASA-N 1 1 419.574 0.585 20 0 HCADMO Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779150 1078541181 /nfs/dbraw/zinc/54/11/81/1078541181.db2.gz QNIYZNUABLHZAQ-RBUKOAKNSA-N 1 1 419.574 0.585 20 0 HCADMO Cc1nnc2n1C[C@@H](CNC(=O)N1CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC1)CC2 ZINC000609779153 1078541284 /nfs/dbraw/zinc/54/12/84/1078541284.db2.gz QNIYZNUABLHZAQ-RTBURBONSA-N 1 1 419.574 0.585 20 0 HCADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811379 1078549541 /nfs/dbraw/zinc/54/95/41/1078549541.db2.gz AOGGJTVQDRVEIH-INIZCTEOSA-N 1 1 404.467 0.057 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609811381 1078549750 /nfs/dbraw/zinc/54/97/50/1078549750.db2.gz AOGGJTVQDRVEIH-MRXNPFEDSA-N 1 1 404.467 0.057 20 0 HCADMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811552 1078549692 /nfs/dbraw/zinc/54/96/92/1078549692.db2.gz JFQMSANZZKOIDW-INIZCTEOSA-N 1 1 404.467 0.519 20 0 HCADMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 ZINC000609811553 1078549585 /nfs/dbraw/zinc/54/95/85/1078549585.db2.gz JFQMSANZZKOIDW-MRXNPFEDSA-N 1 1 404.467 0.519 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000609811745 1078549665 /nfs/dbraw/zinc/54/96/65/1078549665.db2.gz RBDDDYOZXLFFNR-UHFFFAOYSA-N 1 1 418.494 0.909 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000609811809 1078549570 /nfs/dbraw/zinc/54/95/70/1078549570.db2.gz ANVAKRNPAKQTQL-UHFFFAOYSA-N 1 1 405.236 0.924 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000609811825 1078549604 /nfs/dbraw/zinc/54/96/04/1078549604.db2.gz APQHMYMFXGHAEH-UHFFFAOYSA-N 1 1 405.236 0.924 20 0 HCADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 ZINC000609811967 1078550138 /nfs/dbraw/zinc/55/01/38/1078550138.db2.gz HTJPEUWYNOUCTC-KRWDZBQOSA-N 1 1 418.494 0.861 20 0 HCADMO CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 ZINC000609811968 1078550181 /nfs/dbraw/zinc/55/01/81/1078550181.db2.gz HTJPEUWYNOUCTC-QGZVFWFLSA-N 1 1 418.494 0.861 20 0 HCADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1I ZINC000609811980 1078550078 /nfs/dbraw/zinc/55/00/78/1078550078.db2.gz IGZXBHGSXMRUAG-UHFFFAOYSA-N 1 1 405.236 0.924 20 0 HCADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812721 1078549719 /nfs/dbraw/zinc/54/97/19/1078549719.db2.gz GYUUTMYKGZYWLN-KRWDZBQOSA-N 1 1 418.494 0.447 20 0 HCADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 ZINC000609812722 1078549775 /nfs/dbraw/zinc/54/97/75/1078549775.db2.gz GYUUTMYKGZYWLN-QGZVFWFLSA-N 1 1 418.494 0.447 20 0 HCADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000609813006 1078550626 /nfs/dbraw/zinc/55/06/26/1078550626.db2.gz QGAQVSPJJWEWOW-PBHICJAKSA-N 1 1 405.451 0.181 20 0 HCADMO COC(=O)CCCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609824130 1078545968 /nfs/dbraw/zinc/54/59/68/1078545968.db2.gz OJVNARWYUIPPMX-KRWDZBQOSA-N 1 1 411.524 0.757 20 0 HCADMO COC(=O)CCCS(=O)(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609824132 1078545985 /nfs/dbraw/zinc/54/59/85/1078545985.db2.gz OJVNARWYUIPPMX-QGZVFWFLSA-N 1 1 411.524 0.757 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)CCCC(=O)OC)CC2)CC1 ZINC000609824230 1078545897 /nfs/dbraw/zinc/54/58/97/1078545897.db2.gz VADPKQGJUKXLQE-UHFFFAOYSA-N 1 1 403.545 0.536 20 0 HCADMO COC(=O)CCCS(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000609824702 1078546050 /nfs/dbraw/zinc/54/60/50/1078546050.db2.gz JFFGNZDZDAQQBK-GOSISDBHSA-N 1 1 423.535 0.865 20 0 HCADMO COC(=O)CCCS(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000609824704 1078545950 /nfs/dbraw/zinc/54/59/50/1078545950.db2.gz JFFGNZDZDAQQBK-SFHVURJKSA-N 1 1 423.535 0.865 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000609829656 1078547079 /nfs/dbraw/zinc/54/70/79/1078547079.db2.gz PWSKDUSECMZLRK-UHFFFAOYSA-N 1 1 410.858 0.345 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000609829683 1078547042 /nfs/dbraw/zinc/54/70/42/1078547042.db2.gz SKVHVIBZMBXNLG-UHFFFAOYSA-N 1 1 410.858 0.392 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842681 1078555924 /nfs/dbraw/zinc/55/59/24/1078555924.db2.gz CKLGRYVYURSNSS-INIZCTEOSA-N 1 1 419.526 0.985 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000609842682 1078555974 /nfs/dbraw/zinc/55/59/74/1078555974.db2.gz CKLGRYVYURSNSS-MRXNPFEDSA-N 1 1 419.526 0.985 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000609848625 1078552563 /nfs/dbraw/zinc/55/25/63/1078552563.db2.gz KHOHMRLKWHFVSG-GFCCVEGCSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000609848626 1078552477 /nfs/dbraw/zinc/55/24/77/1078552477.db2.gz KHOHMRLKWHFVSG-LBPRGKRZSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000609848632 1078552466 /nfs/dbraw/zinc/55/24/66/1078552466.db2.gz KVXSRDMWNIXPKI-CYBMUJFWSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000609848633 1078552408 /nfs/dbraw/zinc/55/24/08/1078552408.db2.gz KVXSRDMWNIXPKI-ZDUSSCGKSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000609848635 1078552485 /nfs/dbraw/zinc/55/24/85/1078552485.db2.gz LDXOSHJWAVQCOZ-GFCCVEGCSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1Cl ZINC000609848636 1078552577 /nfs/dbraw/zinc/55/25/77/1078552577.db2.gz LDXOSHJWAVQCOZ-LBPRGKRZSA-N 1 1 424.885 0.769 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000609848711 1078552426 /nfs/dbraw/zinc/55/24/26/1078552426.db2.gz SRBMVXSELJKYFB-HNNXBMFYSA-N 1 1 406.483 0.177 20 0 HCADMO COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000609848712 1078553032 /nfs/dbraw/zinc/55/30/32/1078553032.db2.gz SRBMVXSELJKYFB-OAHLLOKOSA-N 1 1 406.483 0.177 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(F)cc1F ZINC000609848757 1078552393 /nfs/dbraw/zinc/55/23/93/1078552393.db2.gz XZYXMNPZKSDBEG-GFCCVEGCSA-N 1 1 412.437 0.690 20 0 HCADMO COC(=O)c1cc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(F)cc1F ZINC000609848758 1078552513 /nfs/dbraw/zinc/55/25/13/1078552513.db2.gz XZYXMNPZKSDBEG-LBPRGKRZSA-N 1 1 412.437 0.690 20 0 HCADMO COC(=O)Cc1nc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)n[nH]1 ZINC000609879562 1078557139 /nfs/dbraw/zinc/55/71/39/1078557139.db2.gz BHKSOBJJNKXDCV-UHFFFAOYSA-N 1 1 410.438 0.650 20 0 HCADMO COC(=O)c1cccc(CS(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000609897312 1078562724 /nfs/dbraw/zinc/56/27/24/1078562724.db2.gz DGPSUWFEJKZOSK-KRWDZBQOSA-N 1 1 411.524 0.835 20 0 HCADMO COC(=O)c1cccc(CS(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000609897312 1078562718 /nfs/dbraw/zinc/56/27/18/1078562718.db2.gz DGPSUWFEJKZOSK-KRWDZBQOSA-N 1 1 411.524 0.835 20 0 HCADMO COC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000609899895 1078563249 /nfs/dbraw/zinc/56/32/49/1078563249.db2.gz UXPXDRIGYOHNNW-UHFFFAOYSA-N 1 1 412.508 0.971 20 0 HCADMO COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000609916360 1078565548 /nfs/dbraw/zinc/56/55/48/1078565548.db2.gz MEANXTPQVLPLTI-QGZVFWFLSA-N 1 1 405.495 0.928 20 0 HCADMO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000609920330 1078566052 /nfs/dbraw/zinc/56/60/52/1078566052.db2.gz GHZSXENUGSAFIQ-DLBZAZTESA-N 1 1 412.531 0.540 20 0 HCADMO CCOC(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CC2)nc1 ZINC000609920392 1078566141 /nfs/dbraw/zinc/56/61/41/1078566141.db2.gz JJMOHVNZMBKSED-QGZVFWFLSA-N 1 1 405.499 0.811 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000609926657 1078566619 /nfs/dbraw/zinc/56/66/19/1078566619.db2.gz LKQMSBPSSMUPIK-DOTOQJQBSA-N 1 1 408.524 0.206 20 0 HCADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000609926658 1078566591 /nfs/dbraw/zinc/56/65/91/1078566591.db2.gz LKQMSBPSSMUPIK-RDJZCZTQSA-N 1 1 408.524 0.206 20 0 HCADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[S@@](C)=O)c2)CC1 ZINC000609929397 1078566567 /nfs/dbraw/zinc/56/65/67/1078566567.db2.gz XNRMFSTWNBFZLC-AREMUKBSSA-N 1 1 416.569 0.903 20 0 HCADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)NCCC[S@@](C)=O)c2)CC1 ZINC000609929397 1078566561 /nfs/dbraw/zinc/56/65/61/1078566561.db2.gz XNRMFSTWNBFZLC-AREMUKBSSA-N 1 1 416.569 0.903 20 0 HCADMO COC(=O)CCc1nnc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000609931599 1078567027 /nfs/dbraw/zinc/56/70/27/1078567027.db2.gz CBBHEVVCHWRHLQ-GFCCVEGCSA-N 1 1 412.516 0.708 20 0 HCADMO COC(=O)CCc1nnc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000609931600 1078566952 /nfs/dbraw/zinc/56/69/52/1078566952.db2.gz CBBHEVVCHWRHLQ-LBPRGKRZSA-N 1 1 412.516 0.708 20 0 HCADMO COC(=O)CCc1nnc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000609931995 1078566991 /nfs/dbraw/zinc/56/69/91/1078566991.db2.gz GEKPKZAUYWFBQA-UHFFFAOYSA-N 1 1 424.527 0.662 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2nnc(CCC(=O)OC)s2)CC1 ZINC000609933508 1078567092 /nfs/dbraw/zinc/56/70/92/1078567092.db2.gz WFIVZAFMYBLQQI-UHFFFAOYSA-N 1 1 412.516 0.756 20 0 HCADMO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000609936240 1078567582 /nfs/dbraw/zinc/56/75/82/1078567582.db2.gz LLEBQCJYVBPTMH-UHFFFAOYSA-N 1 1 416.478 0.981 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCO1 ZINC000609943888 1078564973 /nfs/dbraw/zinc/56/49/73/1078564973.db2.gz CONGAAWAYZSNGO-PBHICJAKSA-N 1 1 405.451 0.419 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCO1 ZINC000609943892 1078565005 /nfs/dbraw/zinc/56/50/05/1078565005.db2.gz CONGAAWAYZSNGO-RHSMWYFYSA-N 1 1 405.451 0.419 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCO1 ZINC000609943893 1078565498 /nfs/dbraw/zinc/56/54/98/1078565498.db2.gz CONGAAWAYZSNGO-WMLDXEAASA-N 1 1 405.451 0.419 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCO1 ZINC000609943894 1078565450 /nfs/dbraw/zinc/56/54/50/1078565450.db2.gz CONGAAWAYZSNGO-YOEHRIQHSA-N 1 1 405.451 0.419 20 0 HCADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944008 1078578196 /nfs/dbraw/zinc/57/81/96/1078578196.db2.gz LHLNTRLHAJZVKZ-DEXQXJORSA-N 1 1 408.524 0.421 20 0 HCADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609944011 1078578180 /nfs/dbraw/zinc/57/81/80/1078578180.db2.gz LHLNTRLHAJZVKZ-WVDZOPJMSA-N 1 1 408.524 0.421 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@](C)=O)c2)CC1 ZINC000609945098 1078579112 /nfs/dbraw/zinc/57/91/12/1078579112.db2.gz OLVSBJBHBUMELA-HPGBDJQBSA-N 1 1 406.552 0.991 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609945099 1078579179 /nfs/dbraw/zinc/57/91/79/1078579179.db2.gz OLVSBJBHBUMELA-JYRCXFKTSA-N 1 1 406.552 0.991 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)CC1 ZINC000609945101 1078579019 /nfs/dbraw/zinc/57/90/19/1078579019.db2.gz OLVSBJBHBUMELA-YMGMXPECSA-N 1 1 406.552 0.991 20 0 HCADMO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)ccc21 ZINC000609945946 1078579190 /nfs/dbraw/zinc/57/91/90/1078579190.db2.gz VAMBBYSCBQHOBX-KRWDZBQOSA-N 1 1 415.494 0.505 20 0 HCADMO CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)ccc21 ZINC000609945947 1078579086 /nfs/dbraw/zinc/57/90/86/1078579086.db2.gz VAMBBYSCBQHOBX-QGZVFWFLSA-N 1 1 415.494 0.505 20 0 HCADMO CSCCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609946607 1078579054 /nfs/dbraw/zinc/57/90/54/1078579054.db2.gz AOHNSMPXZQNVMW-UHFFFAOYSA-N 1 1 421.567 0.705 20 0 HCADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NCCCSC ZINC000609946640 1078579237 /nfs/dbraw/zinc/57/92/37/1078579237.db2.gz IYDVHIUQPFXNIP-UHFFFAOYSA-N 1 1 408.524 0.891 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC000609946975 1078579829 /nfs/dbraw/zinc/57/98/29/1078579829.db2.gz DFCXVJVXXAMYLF-HNNXBMFYSA-N 1 1 406.458 0.789 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC000609946985 1078580667 /nfs/dbraw/zinc/58/06/67/1078580667.db2.gz DFCXVJVXXAMYLF-OAHLLOKOSA-N 1 1 406.458 0.789 20 0 HCADMO CSC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609948645 1078580564 /nfs/dbraw/zinc/58/05/64/1078580564.db2.gz UMSMYONTHRUWKX-HNNXBMFYSA-N 1 1 421.567 0.703 20 0 HCADMO CSC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609948646 1078580508 /nfs/dbraw/zinc/58/05/08/1078580508.db2.gz UMSMYONTHRUWKX-OAHLLOKOSA-N 1 1 421.567 0.703 20 0 HCADMO CSCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000609950022 1078567867 /nfs/dbraw/zinc/56/78/67/1078567867.db2.gz AZPCDWWRZAYARX-UHFFFAOYSA-N 1 1 412.487 0.904 20 0 HCADMO CSCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000609950180 1078568410 /nfs/dbraw/zinc/56/84/10/1078568410.db2.gz STXOSWRXHREQIW-UHFFFAOYSA-N 1 1 407.540 0.315 20 0 HCADMO CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000609950777 1078567957 /nfs/dbraw/zinc/56/79/57/1078567957.db2.gz UORGSFOREGEJBJ-UHFFFAOYSA-N 1 1 414.553 0.431 20 0 HCADMO CSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000609950777 1078567951 /nfs/dbraw/zinc/56/79/51/1078567951.db2.gz UORGSFOREGEJBJ-UHFFFAOYSA-N 1 1 414.553 0.431 20 0 HCADMO CCOC(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000609951111 1078568799 /nfs/dbraw/zinc/56/87/99/1078568799.db2.gz OWENHPIWQJCQEB-UHFFFAOYSA-N 1 1 404.467 0.472 20 0 HCADMO CCOC(=O)CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000609951232 1078568754 /nfs/dbraw/zinc/56/87/54/1078568754.db2.gz PLDPQZHBUKKDPM-UHFFFAOYSA-N 1 1 404.467 0.472 20 0 HCADMO CCOC(=O)CCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000609951273 1078568765 /nfs/dbraw/zinc/56/87/65/1078568765.db2.gz VIVILFOZXJSHID-UHFFFAOYSA-N 1 1 420.466 0.091 20 0 HCADMO CCOC(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000609951321 1078568735 /nfs/dbraw/zinc/56/87/35/1078568735.db2.gz YRVGELZVGBXHNB-UHFFFAOYSA-N 1 1 404.467 0.011 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000609951878 1078568505 /nfs/dbraw/zinc/56/85/05/1078568505.db2.gz GWSNJTAWBYFZPI-UHFFFAOYSA-N 1 1 418.494 0.861 20 0 HCADMO COC(=O)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000609952065 1078569818 /nfs/dbraw/zinc/56/98/18/1078569818.db2.gz RCTNFIOWCACUQK-UHFFFAOYSA-N 1 1 402.451 0.591 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)cc2)CC1 ZINC000609952127 1078569806 /nfs/dbraw/zinc/56/98/06/1078569806.db2.gz CSMQAAVYJBAZFQ-UHFFFAOYSA-N 1 1 418.494 0.861 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCCC(=O)OC)cc2)CC1 ZINC000609952589 1078569315 /nfs/dbraw/zinc/56/93/15/1078569315.db2.gz XTOYNOLZSQFKDV-UHFFFAOYSA-N 1 1 404.467 0.472 20 0 HCADMO COC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc2o1 ZINC000609953842 1078570135 /nfs/dbraw/zinc/57/01/35/1078570135.db2.gz HKPQNTQNHUGJMQ-AWEZNQCLSA-N 1 1 416.434 0.614 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000609954158 1078571386 /nfs/dbraw/zinc/57/13/86/1078571386.db2.gz UFOGACGMHFVQMT-AWEZNQCLSA-N 1 1 410.858 0.521 20 0 HCADMO COC(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000609954160 1078571359 /nfs/dbraw/zinc/57/13/59/1078571359.db2.gz UFOGACGMHFVQMT-CQSZACIVSA-N 1 1 410.858 0.521 20 0 HCADMO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000609954165 1078571759 /nfs/dbraw/zinc/57/17/59/1078571759.db2.gz OGBJUAGSBGYFLV-HNNXBMFYSA-N 1 1 416.478 0.837 20 0 HCADMO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000609954166 1078571717 /nfs/dbraw/zinc/57/17/17/1078571717.db2.gz OGBJUAGSBGYFLV-OAHLLOKOSA-N 1 1 416.478 0.837 20 0 HCADMO COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000609954340 1078571144 /nfs/dbraw/zinc/57/11/44/1078571144.db2.gz ZALSUIDZKAZQIW-AWEZNQCLSA-N 1 1 404.467 0.328 20 0 HCADMO COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000609954341 1078571311 /nfs/dbraw/zinc/57/13/11/1078571311.db2.gz ZALSUIDZKAZQIW-CQSZACIVSA-N 1 1 404.467 0.328 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)C(=O)OC)cc2)CC1 ZINC000609954449 1078570806 /nfs/dbraw/zinc/57/08/06/1078570806.db2.gz JLKQJSRRRYGIHA-AWEZNQCLSA-N 1 1 404.467 0.328 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OC)cc2)CC1 ZINC000609954450 1078570830 /nfs/dbraw/zinc/57/08/30/1078570830.db2.gz JLKQJSRRRYGIHA-CQSZACIVSA-N 1 1 404.467 0.328 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCCSCCCO)CC1 ZINC000609954646 1078570731 /nfs/dbraw/zinc/57/07/31/1078570731.db2.gz BBJBXHUIKWIRLL-UHFFFAOYSA-N 1 1 422.551 0.635 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSCCCO)cc2)CC1 ZINC000609955149 1078572779 /nfs/dbraw/zinc/57/27/79/1078572779.db2.gz IOHSWGJUFJABOA-UHFFFAOYSA-N 1 1 422.551 0.635 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCSCCCO)cc2)CC1 ZINC000609955854 1078572246 /nfs/dbraw/zinc/57/22/46/1078572246.db2.gz MWSVSSMQQNLOCJ-UHFFFAOYSA-N 1 1 408.524 0.245 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(I)cn2)C1 ZINC000609963243 1078576269 /nfs/dbraw/zinc/57/62/69/1078576269.db2.gz LMTSQPZVRYDBCK-CYBMUJFWSA-N 1 1 406.268 0.961 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(I)cn2)C1 ZINC000609963244 1078576242 /nfs/dbraw/zinc/57/62/42/1078576242.db2.gz LMTSQPZVRYDBCK-ZDUSSCGKSA-N 1 1 406.268 0.961 20 0 HCADMO CSC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000609997114 1078586132 /nfs/dbraw/zinc/58/61/32/1078586132.db2.gz XZWGQCGDOJJOPX-LUKYLMHMSA-N 1 1 411.568 0.978 20 0 HCADMO CSC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609997115 1078585829 /nfs/dbraw/zinc/58/58/29/1078585829.db2.gz XZWGQCGDOJJOPX-MWDXBVQZSA-N 1 1 411.568 0.978 20 0 HCADMO CSC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000609997116 1078585956 /nfs/dbraw/zinc/58/59/56/1078585956.db2.gz XZWGQCGDOJJOPX-WCXIOVBPSA-N 1 1 411.568 0.978 20 0 HCADMO CSC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000609997117 1078586156 /nfs/dbraw/zinc/58/61/56/1078586156.db2.gz XZWGQCGDOJJOPX-YLFCFFPRSA-N 1 1 411.568 0.978 20 0 HCADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CSCC(=O)N1CCOCC1 ZINC000609997437 1078586080 /nfs/dbraw/zinc/58/60/80/1078586080.db2.gz KVPHBVQLVZETPG-UHFFFAOYSA-N 1 1 420.579 0.859 20 0 HCADMO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)OC ZINC000610001549 1078588093 /nfs/dbraw/zinc/58/80/93/1078588093.db2.gz PJEBHIVWKJVPTB-KBXCAEBGSA-N 1 1 407.515 0.566 20 0 HCADMO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)OC ZINC000610001550 1078588121 /nfs/dbraw/zinc/58/81/21/1078588121.db2.gz PJEBHIVWKJVPTB-KDOFPFPSSA-N 1 1 407.515 0.566 20 0 HCADMO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)OC ZINC000610001551 1078588742 /nfs/dbraw/zinc/58/87/42/1078588742.db2.gz PJEBHIVWKJVPTB-KSSFIOAISA-N 1 1 407.515 0.566 20 0 HCADMO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)OC ZINC000610001552 1078588822 /nfs/dbraw/zinc/58/88/22/1078588822.db2.gz PJEBHIVWKJVPTB-RDTXWAMCSA-N 1 1 407.515 0.566 20 0 HCADMO NC(=O)C1CCN(C(=O)C2CC[NH+](CC(=O)NC(=O)NC3CCCCC3)CC2)CC1 ZINC000610002526 1078589211 /nfs/dbraw/zinc/58/92/11/1078589211.db2.gz PWUGPGORSIEANG-UHFFFAOYSA-N 1 1 421.542 0.581 20 0 HCADMO COC(=O)C1CCN(S(=O)(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000610008674 1078591185 /nfs/dbraw/zinc/59/11/85/1078591185.db2.gz WIKMDZIIFNZZAP-CALCHBBNSA-N 1 1 416.588 0.607 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)c1 ZINC000610027616 1078597931 /nfs/dbraw/zinc/59/79/31/1078597931.db2.gz AUVPCTWSWFGICG-UHFFFAOYSA-N 1 1 404.511 0.873 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)c1 ZINC000610027740 1078597960 /nfs/dbraw/zinc/59/79/60/1078597960.db2.gz GLAJWMFUHKOMLU-UHFFFAOYSA-N 1 1 404.467 0.057 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000610028597 1078598573 /nfs/dbraw/zinc/59/85/73/1078598573.db2.gz DZYGPOHAKQSXFS-IBGZPJMESA-N 1 1 416.522 0.969 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000610028598 1078598346 /nfs/dbraw/zinc/59/83/46/1078598346.db2.gz DZYGPOHAKQSXFS-LJQANCHMSA-N 1 1 416.522 0.969 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCO1 ZINC000610028624 1078598389 /nfs/dbraw/zinc/59/83/89/1078598389.db2.gz FWULIERXAQFQOK-DAYGRLMNSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCO1 ZINC000610028624 1078598382 /nfs/dbraw/zinc/59/83/82/1078598382.db2.gz FWULIERXAQFQOK-DAYGRLMNSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CCO1 ZINC000610028625 1078598494 /nfs/dbraw/zinc/59/84/94/1078598494.db2.gz FWULIERXAQFQOK-MPGHIAIKSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CCO1 ZINC000610028626 1078598604 /nfs/dbraw/zinc/59/86/04/1078598604.db2.gz FWULIERXAQFQOK-RKVPGOIHSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCO1 ZINC000610028627 1078598452 /nfs/dbraw/zinc/59/84/52/1078598452.db2.gz FWULIERXAQFQOK-RVKKMQEKSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CCO1 ZINC000610028627 1078598438 /nfs/dbraw/zinc/59/84/38/1078598438.db2.gz FWULIERXAQFQOK-RVKKMQEKSA-N 1 1 419.478 0.635 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000610031426 1078600732 /nfs/dbraw/zinc/60/07/32/1078600732.db2.gz RNLZCTLBLZHTJA-PBHICJAKSA-N 1 1 405.451 0.038 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000610031427 1078600925 /nfs/dbraw/zinc/60/09/25/1078600925.db2.gz RNLZCTLBLZHTJA-RHSMWYFYSA-N 1 1 405.451 0.038 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000610031428 1078600789 /nfs/dbraw/zinc/60/07/89/1078600789.db2.gz RNLZCTLBLZHTJA-WMLDXEAASA-N 1 1 405.451 0.038 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000610031429 1078601047 /nfs/dbraw/zinc/60/10/47/1078601047.db2.gz RNLZCTLBLZHTJA-YOEHRIQHSA-N 1 1 405.451 0.038 20 0 HCADMO CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000610032009 1078600352 /nfs/dbraw/zinc/60/03/52/1078600352.db2.gz MDVHGGHLASFOQK-FQEVSTJZSA-N 1 1 422.551 0.172 20 0 HCADMO CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000610032011 1078600249 /nfs/dbraw/zinc/60/02/49/1078600249.db2.gz MDVHGGHLASFOQK-HXUWFJFHSA-N 1 1 422.551 0.172 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000610032328 1078602403 /nfs/dbraw/zinc/60/24/03/1078602403.db2.gz YXEMXSUOSDTPQL-KRWDZBQOSA-N 1 1 418.494 0.255 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000610032328 1078602397 /nfs/dbraw/zinc/60/23/97/1078602397.db2.gz YXEMXSUOSDTPQL-KRWDZBQOSA-N 1 1 418.494 0.255 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000610032329 1078602310 /nfs/dbraw/zinc/60/23/10/1078602310.db2.gz YXEMXSUOSDTPQL-QGZVFWFLSA-N 1 1 418.494 0.255 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000610032329 1078602306 /nfs/dbraw/zinc/60/23/06/1078602306.db2.gz YXEMXSUOSDTPQL-QGZVFWFLSA-N 1 1 418.494 0.255 20 0 HCADMO CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000610032785 1078601603 /nfs/dbraw/zinc/60/16/03/1078601603.db2.gz YMYTUFSXKRIOFX-IBGZPJMESA-N 1 1 408.524 0.243 20 0 HCADMO CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000610032787 1078601514 /nfs/dbraw/zinc/60/15/14/1078601514.db2.gz YMYTUFSXKRIOFX-LJQANCHMSA-N 1 1 408.524 0.243 20 0 HCADMO COC(=O)c1sc(NC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c(C(=O)OC)c1C ZINC000610033448 1078603204 /nfs/dbraw/zinc/60/32/04/1078603204.db2.gz PCTRCYLEFHLSLU-LLVKDONJSA-N 1 1 413.496 0.567 20 0 HCADMO COC(=O)c1sc(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)c(C(=O)OC)c1C ZINC000610033449 1078603059 /nfs/dbraw/zinc/60/30/59/1078603059.db2.gz PCTRCYLEFHLSLU-NSHDSACASA-N 1 1 413.496 0.567 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc2)CC1 ZINC000610035475 1078612173 /nfs/dbraw/zinc/61/21/73/1078612173.db2.gz ZZJWKQAQTUPTPO-FQEVSTJZSA-N 1 1 422.551 0.633 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc2)CC1 ZINC000610035476 1078612122 /nfs/dbraw/zinc/61/21/22/1078612122.db2.gz ZZJWKQAQTUPTPO-HXUWFJFHSA-N 1 1 422.551 0.633 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1OC ZINC000610085075 1078619865 /nfs/dbraw/zinc/61/98/65/1078619865.db2.gz YFUBDOQKEFROTQ-CYBMUJFWSA-N 1 1 413.496 0.348 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1OC ZINC000610085079 1078619707 /nfs/dbraw/zinc/61/97/07/1078619707.db2.gz YFUBDOQKEFROTQ-ZDUSSCGKSA-N 1 1 413.496 0.348 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1OC ZINC000610085491 1078620543 /nfs/dbraw/zinc/62/05/43/1078620543.db2.gz TZRVGMYMOWGFQR-HNNXBMFYSA-N 1 1 411.524 0.882 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1OC ZINC000610085492 1078620481 /nfs/dbraw/zinc/62/04/81/1078620481.db2.gz TZRVGMYMOWGFQR-OAHLLOKOSA-N 1 1 411.524 0.882 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCS(=O)CC2)cc1 ZINC000610095361 1078613379 /nfs/dbraw/zinc/61/33/79/1078613379.db2.gz QIXZYJLKRSFQJI-UHFFFAOYSA-N 1 1 407.540 0.493 20 0 HCADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCS(=O)CC3)c2)CC1 ZINC000610095535 1078613545 /nfs/dbraw/zinc/61/35/45/1078613545.db2.gz WZYDZHARVGYRJL-UHFFFAOYSA-N 1 1 414.553 0.609 20 0 HCADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCS(=O)CC3)c2)CC1 ZINC000610095535 1078613533 /nfs/dbraw/zinc/61/35/33/1078613533.db2.gz WZYDZHARVGYRJL-UHFFFAOYSA-N 1 1 414.553 0.609 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000610103048 1078629408 /nfs/dbraw/zinc/62/94/08/1078629408.db2.gz MRRWXJVRJFLGKE-INIZCTEOSA-N 1 1 404.511 0.730 20 0 HCADMO CCOC(=O)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000610103049 1078629129 /nfs/dbraw/zinc/62/91/29/1078629129.db2.gz MRRWXJVRJFLGKE-MRXNPFEDSA-N 1 1 404.511 0.730 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000610103149 1078629789 /nfs/dbraw/zinc/62/97/89/1078629789.db2.gz VFMAYSUFXRQDDU-HNNXBMFYSA-N 1 1 406.483 0.177 20 0 HCADMO COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000610103150 1078629855 /nfs/dbraw/zinc/62/98/55/1078629855.db2.gz VFMAYSUFXRQDDU-OAHLLOKOSA-N 1 1 406.483 0.177 20 0 HCADMO COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000610115945 1078625687 /nfs/dbraw/zinc/62/56/87/1078625687.db2.gz JKWPSTAAMDHPAM-UHFFFAOYSA-N 1 1 406.483 0.900 20 0 HCADMO COC(=O)C1CCN(C(=O)CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000610115950 1078625851 /nfs/dbraw/zinc/62/58/51/1078625851.db2.gz KCTDGWIQDVUOGM-UHFFFAOYSA-N 1 1 424.586 0.814 20 0 HCADMO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000610115974 1078625748 /nfs/dbraw/zinc/62/57/48/1078625748.db2.gz SIEUIVFSDFYLGZ-INIZCTEOSA-N 1 1 419.526 0.985 20 0 HCADMO COC(=O)CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000610115975 1078626030 /nfs/dbraw/zinc/62/60/30/1078626030.db2.gz SIEUIVFSDFYLGZ-MRXNPFEDSA-N 1 1 419.526 0.985 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C1 ZINC000610116000 1078625785 /nfs/dbraw/zinc/62/57/85/1078625785.db2.gz ARRIARCNLQVFRF-INIZCTEOSA-N 1 1 418.494 0.849 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)C1 ZINC000610116001 1078625880 /nfs/dbraw/zinc/62/58/80/1078625880.db2.gz ARRIARCNLQVFRF-MRXNPFEDSA-N 1 1 418.494 0.849 20 0 HCADMO COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000610116161 1078626507 /nfs/dbraw/zinc/62/65/07/1078626507.db2.gz MCFPGJNEHJNOQP-UHFFFAOYSA-N 1 1 420.510 0.829 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000610133976 1078636297 /nfs/dbraw/zinc/63/62/97/1078636297.db2.gz CDFPNXIKKHQCRR-CYBMUJFWSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1csc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000610133977 1078636537 /nfs/dbraw/zinc/63/65/37/1078636537.db2.gz CDFPNXIKKHQCRR-ZDUSSCGKSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)s1 ZINC000610134019 1078635866 /nfs/dbraw/zinc/63/58/66/1078635866.db2.gz JPAPFKWFGAHNAR-GFCCVEGCSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)s1 ZINC000610134020 1078636353 /nfs/dbraw/zinc/63/63/53/1078636353.db2.gz JPAPFKWFGAHNAR-LBPRGKRZSA-N 1 1 401.510 0.462 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000610134040 1078636470 /nfs/dbraw/zinc/63/64/70/1078636470.db2.gz OOPPTOHMLUCIJX-INIZCTEOSA-N 1 1 409.508 0.709 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000610134041 1078636603 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OJXGAZROWBZOQN-IEBWSBKVSA-N 1 1 421.563 0.984 20 0 HCADMO C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610158812 1078638206 /nfs/dbraw/zinc/63/82/06/1078638206.db2.gz OJXGAZROWBZOQN-IEBWSBKVSA-N 1 1 421.563 0.984 20 0 HCADMO C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610158813 1078638164 /nfs/dbraw/zinc/63/81/64/1078638164.db2.gz OJXGAZROWBZOQN-MJGOQNOKSA-N 1 1 421.563 0.984 20 0 HCADMO C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610158813 1078638162 /nfs/dbraw/zinc/63/81/62/1078638162.db2.gz OJXGAZROWBZOQN-MJGOQNOKSA-N 1 1 421.563 0.984 20 0 HCADMO C[C@H](NC(=O)CSCC(=O)N1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610158814 1078638124 /nfs/dbraw/zinc/63/81/24/1078638124.db2.gz OJXGAZROWBZOQN-PKOBYXMFSA-N 1 1 421.563 0.984 20 0 HCADMO C[C@H](NC(=O)CSCC(=O)N1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610158814 1078638118 /nfs/dbraw/zinc/63/81/18/1078638118.db2.gz OJXGAZROWBZOQN-PKOBYXMFSA-N 1 1 421.563 0.984 20 0 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C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616171417 1078725747 /nfs/dbraw/zinc/72/57/47/1078725747.db2.gz WZZQUUIUGKOOQY-LZWOXQAQSA-N 1 1 409.508 0.538 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616171417 1078725740 /nfs/dbraw/zinc/72/57/40/1078725740.db2.gz WZZQUUIUGKOOQY-LZWOXQAQSA-N 1 1 409.508 0.538 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCCN2CCOCC2)C[C@H](C)O1 ZINC000616181850 1078727359 /nfs/dbraw/zinc/72/73/59/1078727359.db2.gz ZYQJCOSOTCWILW-CALCHBBNSA-N 1 1 404.511 0.683 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCCN2CCOCC2)C[C@H](C)O1 ZINC000616181850 1078727356 /nfs/dbraw/zinc/72/73/56/1078727356.db2.gz ZYQJCOSOTCWILW-CALCHBBNSA-N 1 1 404.511 0.683 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2CCOCC2)C[C@@H](C)O1 ZINC000616181851 1078727219 /nfs/dbraw/zinc/72/72/19/1078727219.db2.gz ZYQJCOSOTCWILW-IAGOWNOFSA-N 1 1 404.511 0.683 20 0 HCADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2CCOCC2)C[C@H](C)O1 ZINC000616181852 1078727290 /nfs/dbraw/zinc/72/72/90/1078727290.db2.gz ZYQJCOSOTCWILW-IRXDYDNUSA-N 1 1 404.511 0.683 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCc3ccccn3)cc2)CC1 ZINC000616183273 1080088659 /nfs/dbraw/zinc/08/86/59/1080088659.db2.gz KBFVUKQAIRWVDN-UHFFFAOYSA-N 1 1 409.490 0.696 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c2ccccc2O1 ZINC000616201098 1078729746 /nfs/dbraw/zinc/72/97/46/1078729746.db2.gz GGSHIFNICKVQII-PBHICJAKSA-N 1 1 400.435 0.539 20 0 HCADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c2ccccc2O1 ZINC000616201199 1078728660 /nfs/dbraw/zinc/72/86/60/1078728660.db2.gz GGSHIFNICKVQII-RHSMWYFYSA-N 1 1 400.435 0.539 20 0 HCADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc2O1 ZINC000616201200 1078728731 /nfs/dbraw/zinc/72/87/31/1078728731.db2.gz GGSHIFNICKVQII-WMLDXEAASA-N 1 1 400.435 0.539 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc2O1 ZINC000616201201 1078728787 /nfs/dbraw/zinc/72/87/87/1078728787.db2.gz GGSHIFNICKVQII-YOEHRIQHSA-N 1 1 400.435 0.539 20 0 HCADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000616202824 1080096620 /nfs/dbraw/zinc/09/66/20/1080096620.db2.gz AZVKPPYHFOGFEZ-UHFFFAOYSA-N 1 1 413.482 0.752 20 0 HCADMO CC(=O)NCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000616204059 1080097027 /nfs/dbraw/zinc/09/70/27/1080097027.db2.gz BUBFQJUUYHMPOZ-CYBMUJFWSA-N 1 1 421.473 0.829 20 0 HCADMO CC(=O)NCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000616204059 1080097020 /nfs/dbraw/zinc/09/70/20/1080097020.db2.gz BUBFQJUUYHMPOZ-CYBMUJFWSA-N 1 1 421.473 0.829 20 0 HCADMO CC(=O)NCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000616204060 1078728649 /nfs/dbraw/zinc/72/86/49/1078728649.db2.gz BUBFQJUUYHMPOZ-ZDUSSCGKSA-N 1 1 421.473 0.829 20 0 HCADMO CC(=O)NCCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000616204060 1078728645 /nfs/dbraw/zinc/72/86/45/1078728645.db2.gz BUBFQJUUYHMPOZ-ZDUSSCGKSA-N 1 1 421.473 0.829 20 0 HCADMO CC(C)(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCOCC1 ZINC000616208475 1078729330 /nfs/dbraw/zinc/72/93/30/1078729330.db2.gz WHTAKSGEWMQCCY-UHFFFAOYSA-N 1 1 418.538 0.727 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000616209171 1078729139 /nfs/dbraw/zinc/72/91/39/1078729139.db2.gz QIZCDEJAALQQJE-AWEZNQCLSA-N 1 1 406.464 0.970 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000616209172 1078729214 /nfs/dbraw/zinc/72/92/14/1078729214.db2.gz QIZCDEJAALQQJE-CQSZACIVSA-N 1 1 406.464 0.970 20 0 HCADMO COCCn1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000616223138 1078729772 /nfs/dbraw/zinc/72/97/72/1078729772.db2.gz GQFSBNSHFVGMII-INIZCTEOSA-N 1 1 420.539 0.634 20 0 HCADMO COCCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000616223139 1078729649 /nfs/dbraw/zinc/72/96/49/1078729649.db2.gz GQFSBNSHFVGMII-MRXNPFEDSA-N 1 1 420.539 0.634 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000616226094 1078729847 /nfs/dbraw/zinc/72/98/47/1078729847.db2.gz LRXWIANNYOHOLL-INIZCTEOSA-N 1 1 402.476 0.814 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000616226098 1078729694 /nfs/dbraw/zinc/72/96/94/1078729694.db2.gz LRXWIANNYOHOLL-MRXNPFEDSA-N 1 1 402.476 0.814 20 0 HCADMO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000616230296 1078731874 /nfs/dbraw/zinc/73/18/74/1078731874.db2.gz WQWFRQWSBJXJHV-INIZCTEOSA-N 1 1 418.885 0.914 20 0 HCADMO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000616230297 1078732255 /nfs/dbraw/zinc/73/22/55/1078732255.db2.gz WQWFRQWSBJXJHV-MRXNPFEDSA-N 1 1 418.885 0.914 20 0 HCADMO O=C(NCc1nnc2ccccn21)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000616237032 1078730339 /nfs/dbraw/zinc/73/03/39/1078730339.db2.gz MNCQXZDTVVLCRF-UHFFFAOYSA-N 1 1 408.462 0.859 20 0 HCADMO CNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000616237302 1078730421 /nfs/dbraw/zinc/73/04/21/1078730421.db2.gz VHXWDDXCVTZRJH-GFCCVEGCSA-N 1 1 407.446 0.439 20 0 HCADMO CNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000616237302 1078730417 /nfs/dbraw/zinc/73/04/17/1078730417.db2.gz VHXWDDXCVTZRJH-GFCCVEGCSA-N 1 1 407.446 0.439 20 0 HCADMO CNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000616237303 1078730381 /nfs/dbraw/zinc/73/03/81/1078730381.db2.gz VHXWDDXCVTZRJH-LBPRGKRZSA-N 1 1 407.446 0.439 20 0 HCADMO CNC(=O)CNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000616237303 1078730370 /nfs/dbraw/zinc/73/03/70/1078730370.db2.gz VHXWDDXCVTZRJH-LBPRGKRZSA-N 1 1 407.446 0.439 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC000616238112 1078730273 /nfs/dbraw/zinc/73/02/73/1078730273.db2.gz PAHFGEOMIXTEHN-CYBMUJFWSA-N 1 1 421.473 0.782 20 0 HCADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC000616238112 1078730266 /nfs/dbraw/zinc/73/02/66/1078730266.db2.gz PAHFGEOMIXTEHN-CYBMUJFWSA-N 1 1 421.473 0.782 20 0 HCADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC000616238115 1078730329 /nfs/dbraw/zinc/73/03/29/1078730329.db2.gz PAHFGEOMIXTEHN-ZDUSSCGKSA-N 1 1 421.473 0.782 20 0 HCADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCC(=O)N(C)C)c1 ZINC000616238115 1078730314 /nfs/dbraw/zinc/73/03/14/1078730314.db2.gz PAHFGEOMIXTEHN-ZDUSSCGKSA-N 1 1 421.473 0.782 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCNc3ccccn3)cc2)CC1 ZINC000616244885 1078731232 /nfs/dbraw/zinc/73/12/32/1078731232.db2.gz CIHKLDUVBVQDOO-UHFFFAOYSA-N 1 1 424.505 0.565 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000616247287 1078731485 /nfs/dbraw/zinc/73/14/85/1078731485.db2.gz GSTKDWNZDMXGGV-HNNXBMFYSA-N 1 1 406.483 0.352 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C1 ZINC000616247288 1078731182 /nfs/dbraw/zinc/73/11/82/1078731182.db2.gz GSTKDWNZDMXGGV-OAHLLOKOSA-N 1 1 406.483 0.352 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000616247353 1078731247 /nfs/dbraw/zinc/73/12/47/1078731247.db2.gz IVPSVVITEMPMTN-GOSISDBHSA-N 1 1 420.510 0.565 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000616247354 1078731335 /nfs/dbraw/zinc/73/13/35/1078731335.db2.gz IVPSVVITEMPMTN-SFHVURJKSA-N 1 1 420.510 0.565 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000616247389 1078731416 /nfs/dbraw/zinc/73/14/16/1078731416.db2.gz KDPZMLKPDMVSBC-KRWDZBQOSA-N 1 1 400.483 0.738 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C1 ZINC000616247390 1078731437 /nfs/dbraw/zinc/73/14/37/1078731437.db2.gz KDPZMLKPDMVSBC-QGZVFWFLSA-N 1 1 400.483 0.738 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000616247600 1078731291 /nfs/dbraw/zinc/73/12/91/1078731291.db2.gz QFDYTODMHCOTDY-GOSISDBHSA-N 1 1 400.483 0.738 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C1 ZINC000616247601 1078731463 /nfs/dbraw/zinc/73/14/63/1078731463.db2.gz QFDYTODMHCOTDY-SFHVURJKSA-N 1 1 400.483 0.738 20 0 HCADMO COCCn1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000616253955 1078731843 /nfs/dbraw/zinc/73/18/43/1078731843.db2.gz FVSFCJCQFVZOEC-UHFFFAOYSA-N 1 1 401.467 0.617 20 0 HCADMO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)Cc1ccccc1 ZINC000616266888 1078734854 /nfs/dbraw/zinc/73/48/54/1078734854.db2.gz WHMQZFHCOINRJY-UHFFFAOYSA-N 1 1 424.505 0.595 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616281053 1078733324 /nfs/dbraw/zinc/73/33/24/1078733324.db2.gz MCCHUAWDYYRKGW-GASCZTMLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616281053 1078733316 /nfs/dbraw/zinc/73/33/16/1078733316.db2.gz MCCHUAWDYYRKGW-GASCZTMLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000616281054 1078733407 /nfs/dbraw/zinc/73/34/07/1078733407.db2.gz MCCHUAWDYYRKGW-GJZGRUSLSA-N 1 1 406.483 0.113 20 0 HCADMO COCCNC(=O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000616281055 1078733217 /nfs/dbraw/zinc/73/32/17/1078733217.db2.gz MCCHUAWDYYRKGW-HUUCEWRRSA-N 1 1 406.483 0.113 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616302142 1078735880 /nfs/dbraw/zinc/73/58/80/1078735880.db2.gz NCTTWRZADFNZLC-GASCZTMLSA-N 1 1 420.510 0.883 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616302142 1078735875 /nfs/dbraw/zinc/73/58/75/1078735875.db2.gz NCTTWRZADFNZLC-GASCZTMLSA-N 1 1 420.510 0.883 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616302144 1078735787 /nfs/dbraw/zinc/73/57/87/1078735787.db2.gz NCTTWRZADFNZLC-GJZGRUSLSA-N 1 1 420.510 0.883 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@@H](C)O1 ZINC000616302145 1078735850 /nfs/dbraw/zinc/73/58/50/1078735850.db2.gz NCTTWRZADFNZLC-HUUCEWRRSA-N 1 1 420.510 0.883 20 0 HCADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000616302249 1078735813 /nfs/dbraw/zinc/73/58/13/1078735813.db2.gz ONUUGKXJSKWSQK-BETUJISGSA-N 1 1 412.512 0.428 20 0 HCADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000616302249 1078735809 /nfs/dbraw/zinc/73/58/09/1078735809.db2.gz ONUUGKXJSKWSQK-BETUJISGSA-N 1 1 412.512 0.428 20 0 HCADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@@H](C)O1 ZINC000616302251 1078736317 /nfs/dbraw/zinc/73/63/17/1078736317.db2.gz ONUUGKXJSKWSQK-CHWSQXEVSA-N 1 1 412.512 0.428 20 0 HCADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[C@H](C)O1 ZINC000616302252 1078736285 /nfs/dbraw/zinc/73/62/85/1078736285.db2.gz ONUUGKXJSKWSQK-STQMWFEESA-N 1 1 412.512 0.428 20 0 HCADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000616308243 1078736766 /nfs/dbraw/zinc/73/67/66/1078736766.db2.gz ARDPCKFHJJXMQE-HOTGVXAUSA-N 1 1 402.495 0.973 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N2CCCC2)C[C@@H](C)O1 ZINC000616308244 1078736850 /nfs/dbraw/zinc/73/68/50/1078736850.db2.gz ARDPCKFHJJXMQE-HZPDHXFCSA-N 1 1 402.495 0.973 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000616308245 1078736984 /nfs/dbraw/zinc/73/69/84/1078736984.db2.gz ARDPCKFHJJXMQE-IYBDPMFKSA-N 1 1 402.495 0.973 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC(=O)N2CCCC2)C[C@H](C)O1 ZINC000616308245 1078736975 /nfs/dbraw/zinc/73/69/75/1078736975.db2.gz ARDPCKFHJJXMQE-IYBDPMFKSA-N 1 1 402.495 0.973 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2Cn2cncn2)C[C@H](C)O1 ZINC000616308977 1078737406 /nfs/dbraw/zinc/73/74/06/1078737406.db2.gz IARMMFPASUAYRL-IYBDPMFKSA-N 1 1 400.483 0.880 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(Cn3cncn3)c2)C[C@H](C)O1 ZINC000616309097 1078737371 /nfs/dbraw/zinc/73/73/71/1078737371.db2.gz MAPNFHKESCOHOC-IYBDPMFKSA-N 1 1 400.483 0.880 20 0 HCADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[C@H](C)O1 ZINC000616309357 1078737961 /nfs/dbraw/zinc/73/79/61/1078737961.db2.gz SKXFOSSQTOQGCJ-GASCZTMLSA-N 1 1 406.483 0.495 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2O1 ZINC000616309422 1078737849 /nfs/dbraw/zinc/73/78/49/1078737849.db2.gz VCAZODAILQEMGU-DAYGRLMNSA-N 1 1 418.494 0.142 20 0 HCADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc2O1 ZINC000616309425 1078737825 /nfs/dbraw/zinc/73/78/25/1078737825.db2.gz VCAZODAILQEMGU-RVKKMQEKSA-N 1 1 418.494 0.142 20 0 HCADMO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)[NH+]1CCOCC1 ZINC000616312444 1078738399 /nfs/dbraw/zinc/73/83/99/1078738399.db2.gz DDQOUFQUMKGUNL-KRWDZBQOSA-N 1 1 415.498 0.854 20 0 HCADMO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2cncn2)nc1)[NH+]1CCOCC1 ZINC000616312445 1078738590 /nfs/dbraw/zinc/73/85/90/1078738590.db2.gz DDQOUFQUMKGUNL-QGZVFWFLSA-N 1 1 415.498 0.854 20 0 HCADMO CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000616313897 1078738988 /nfs/dbraw/zinc/73/89/88/1078738988.db2.gz UXULHJVYUQELLE-UHFFFAOYSA-N 1 1 405.543 0.708 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)[NH+]1CCN(C)CC1 ZINC000616314989 1078739056 /nfs/dbraw/zinc/73/90/56/1078739056.db2.gz NZHYBGNAWMMGPA-KRWDZBQOSA-N 1 1 419.526 0.268 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1OCCC(N)=O)[NH+]1CCN(C)CC1 ZINC000616314990 1078739011 /nfs/dbraw/zinc/73/90/11/1078739011.db2.gz NZHYBGNAWMMGPA-QGZVFWFLSA-N 1 1 419.526 0.268 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000616315182 1078739134 /nfs/dbraw/zinc/73/91/34/1078739134.db2.gz YTWTXMFTMCODKO-FQEVSTJZSA-N 1 1 417.554 0.850 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCOCC2)c1)[NH+]1CCN(C)CC1 ZINC000616315183 1078738931 /nfs/dbraw/zinc/73/89/31/1078738931.db2.gz YTWTXMFTMCODKO-HXUWFJFHSA-N 1 1 417.554 0.850 20 0 HCADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)[NH+]1CCN(C)CC1 ZINC000616315186 1078739164 /nfs/dbraw/zinc/73/91/64/1078739164.db2.gz YWKPWQBHSFQZLI-IBGZPJMESA-N 1 1 413.526 0.653 20 0 HCADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1Cn1cncn1)[NH+]1CCN(C)CC1 ZINC000616315187 1078739093 /nfs/dbraw/zinc/73/90/93/1078739093.db2.gz YWKPWQBHSFQZLI-LJQANCHMSA-N 1 1 413.526 0.653 20 0 HCADMO CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000616316082 1078739716 /nfs/dbraw/zinc/73/97/16/1078739716.db2.gz NVYSODXJBXRCBK-SFHVURJKSA-N 1 1 403.527 0.763 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)cc12 ZINC000616316127 1078739770 /nfs/dbraw/zinc/73/97/70/1078739770.db2.gz SHKSYFOKKSMARP-KRWDZBQOSA-N 1 1 401.515 0.603 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)cc12 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VJRWSVUTWCASKQ-UHFFFAOYSA-N 1 1 412.498 0.205 20 0 HCADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000616335079 1078740967 /nfs/dbraw/zinc/74/09/67/1078740967.db2.gz BXCODKBIXWGUFB-HNNXBMFYSA-N 1 1 412.494 0.998 20 0 HCADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 ZINC000616335082 1078741082 /nfs/dbraw/zinc/74/10/82/1078741082.db2.gz BXCODKBIXWGUFB-OAHLLOKOSA-N 1 1 412.494 0.998 20 0 HCADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000616335353 1078741124 /nfs/dbraw/zinc/74/11/24/1078741124.db2.gz HVIUQVCYPFXSAK-HNNXBMFYSA-N 1 1 412.494 0.998 20 0 HCADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000616335354 1078741582 /nfs/dbraw/zinc/74/15/82/1078741582.db2.gz HVIUQVCYPFXSAK-OAHLLOKOSA-N 1 1 412.494 0.998 20 0 HCADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2)C1 ZINC000616337084 1078741548 /nfs/dbraw/zinc/74/15/48/1078741548.db2.gz ASGLZWJMZJSYBE-HNNXBMFYSA-N 1 1 412.494 0.855 20 0 HCADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2)C1 ZINC000616337085 1078741627 /nfs/dbraw/zinc/74/16/27/1078741627.db2.gz ASGLZWJMZJSYBE-OAHLLOKOSA-N 1 1 412.494 0.855 20 0 HCADMO COc1ncccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000616340087 1078741996 /nfs/dbraw/zinc/74/19/96/1078741996.db2.gz BIDWBDNLGHWQLQ-UHFFFAOYSA-N 1 1 411.462 0.733 20 0 HCADMO CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 ZINC000616340188 1078741589 /nfs/dbraw/zinc/74/15/89/1078741589.db2.gz KNLKJYYPEZFKQH-UHFFFAOYSA-N 1 1 424.505 0.790 20 0 HCADMO COc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 ZINC000616340246 1078741561 /nfs/dbraw/zinc/74/15/61/1078741561.db2.gz POOGFZBAINJPGX-UHFFFAOYSA-N 1 1 411.462 0.733 20 0 HCADMO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1 ZINC000616362772 1078743727 /nfs/dbraw/zinc/74/37/27/1078743727.db2.gz XYAKIPMRCPZART-INIZCTEOSA-N 1 1 418.885 0.914 20 0 HCADMO NC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1 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YNWBNVMLQIZPHN-CABCVRRESA-N 1 1 402.499 0.335 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@H+]1CCCC[C@@H]1C ZINC000616371207 1078744321 /nfs/dbraw/zinc/74/43/21/1078744321.db2.gz YNWBNVMLQIZPHN-GJZGRUSLSA-N 1 1 402.499 0.335 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c2ccccc2O1 ZINC000616372008 1078744206 /nfs/dbraw/zinc/74/42/06/1078744206.db2.gz IZTGTGPINGASJZ-DAYGRLMNSA-N 1 1 402.495 0.763 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372076 1078744141 /nfs/dbraw/zinc/74/41/41/1078744141.db2.gz IZTGTGPINGASJZ-RKVPGOIHSA-N 1 1 402.495 0.763 20 0 HCADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2O1 ZINC000616372077 1078744252 /nfs/dbraw/zinc/74/42/52/1078744252.db2.gz IZTGTGPINGASJZ-VKJFTORMSA-N 1 1 402.495 0.763 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[N@H+]1CCC[C@@H](C)C1 ZINC000616372379 1078744783 /nfs/dbraw/zinc/74/47/83/1078744783.db2.gz RGURMVSECNYFJO-HUUCEWRRSA-N 1 1 402.499 0.193 20 0 HCADMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccsc1 ZINC000616372564 1078744849 /nfs/dbraw/zinc/74/48/49/1078744849.db2.gz WGROXKGLUQRQEQ-HNNXBMFYSA-N 1 1 416.507 0.437 20 0 HCADMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)c1ccsc1 ZINC000616372565 1078744710 /nfs/dbraw/zinc/74/47/10/1078744710.db2.gz WGROXKGLUQRQEQ-OAHLLOKOSA-N 1 1 416.507 0.437 20 0 HCADMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000616373301 1078744869 /nfs/dbraw/zinc/74/48/69/1078744869.db2.gz RJUAHRZZBBHVAN-UHFFFAOYSA-N 1 1 417.554 0.788 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 ZINC000616374612 1078744684 /nfs/dbraw/zinc/74/46/84/1078744684.db2.gz GYVDAAIPLZYLJZ-UHFFFAOYSA-N 1 1 409.918 0.782 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)C1 ZINC000616376482 1078744670 /nfs/dbraw/zinc/74/46/70/1078744670.db2.gz ZFKQKMYCXULSJV-IYBDPMFKSA-N 1 1 416.526 0.441 20 0 HCADMO 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CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2O1 ZINC000616411444 1078746156 /nfs/dbraw/zinc/74/61/56/1078746156.db2.gz AIURWBCLYGZBGI-BEFAXECRSA-N 1 1 414.506 0.907 20 0 HCADMO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2O1 ZINC000616411445 1078746233 /nfs/dbraw/zinc/74/62/33/1078746233.db2.gz AIURWBCLYGZBGI-DNVCBOLYSA-N 1 1 414.506 0.907 20 0 HCADMO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2O1 ZINC000616411446 1078746256 /nfs/dbraw/zinc/74/62/56/1078746256.db2.gz AIURWBCLYGZBGI-HNAYVOBHSA-N 1 1 414.506 0.907 20 0 HCADMO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2O1 ZINC000616411447 1078746180 /nfs/dbraw/zinc/74/61/80/1078746180.db2.gz AIURWBCLYGZBGI-KXBFYZLASA-N 1 1 414.506 0.907 20 0 HCADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616411565 1078746564 /nfs/dbraw/zinc/74/65/64/1078746564.db2.gz JWQUECUFLDWTRE-CYBMUJFWSA-N 1 1 424.498 0.905 20 0 HCADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F ZINC000616411566 1078746599 /nfs/dbraw/zinc/74/65/99/1078746599.db2.gz JWQUECUFLDWTRE-ZDUSSCGKSA-N 1 1 424.498 0.905 20 0 HCADMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000616415351 1078747033 /nfs/dbraw/zinc/74/70/33/1078747033.db2.gz HJGHYNCXLQUUHD-UHFFFAOYSA-N 1 1 403.483 0.507 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[N@H+]1CCc2ccccc2C1 ZINC000616420011 1078747566 /nfs/dbraw/zinc/74/75/66/1078747566.db2.gz NQDZBIXTNGAMNM-AWEZNQCLSA-N 1 1 416.503 0.987 20 0 HCADMO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000616420011 1078747561 /nfs/dbraw/zinc/74/75/61/1078747561.db2.gz NQDZBIXTNGAMNM-AWEZNQCLSA-N 1 1 416.503 0.987 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[N@H+]1CCc2ccccc2C1 ZINC000616420012 1078747482 /nfs/dbraw/zinc/74/74/82/1078747482.db2.gz NQDZBIXTNGAMNM-CQSZACIVSA-N 1 1 416.503 0.987 20 0 HCADMO C[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000616420012 1078747474 /nfs/dbraw/zinc/74/74/74/1078747474.db2.gz NQDZBIXTNGAMNM-CQSZACIVSA-N 1 1 416.503 0.987 20 0 HCADMO C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616423368 1078749543 /nfs/dbraw/zinc/74/95/43/1078749543.db2.gz ZFLLBHMSFTZWRG-INIZCTEOSA-N 1 1 412.494 0.343 20 0 HCADMO C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000616423369 1078749462 /nfs/dbraw/zinc/74/94/62/1078749462.db2.gz ZFLLBHMSFTZWRG-MRXNPFEDSA-N 1 1 412.494 0.343 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCCC(N)=O)c1 ZINC000616432894 1078750524 /nfs/dbraw/zinc/75/05/24/1078750524.db2.gz WQFMCTVRUBIUGH-CYBMUJFWSA-N 1 1 421.473 0.959 20 0 HCADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCCC(N)=O)c1 ZINC000616432894 1078750514 /nfs/dbraw/zinc/75/05/14/1078750514.db2.gz WQFMCTVRUBIUGH-CYBMUJFWSA-N 1 1 421.473 0.959 20 0 HCADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCCC(N)=O)c1 ZINC000616432895 1078750407 /nfs/dbraw/zinc/75/04/07/1078750407.db2.gz WQFMCTVRUBIUGH-ZDUSSCGKSA-N 1 1 421.473 0.959 20 0 HCADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCCC(N)=O)c1 ZINC000616432895 1078750403 /nfs/dbraw/zinc/75/04/03/1078750403.db2.gz WQFMCTVRUBIUGH-ZDUSSCGKSA-N 1 1 421.473 0.959 20 0 HCADMO O=C(CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)NCC(F)(F)F ZINC000616465210 1078754454 /nfs/dbraw/zinc/75/44/54/1078754454.db2.gz LGHWZXZZMWGKIS-UHFFFAOYSA-N 1 1 416.400 0.295 20 0 HCADMO CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616473491 1078752396 /nfs/dbraw/zinc/75/23/96/1078752396.db2.gz DYTXTMIWPDGEJD-UHFFFAOYSA-N 1 1 416.522 0.875 20 0 HCADMO COC(=O)Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000616508978 1078756595 /nfs/dbraw/zinc/75/65/95/1078756595.db2.gz UTLQBGCCIUWADJ-INIZCTEOSA-N 1 1 404.467 0.449 20 0 HCADMO COC(=O)Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000616508979 1078756739 /nfs/dbraw/zinc/75/67/39/1078756739.db2.gz UTLQBGCCIUWADJ-MRXNPFEDSA-N 1 1 404.467 0.449 20 0 HCADMO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000616512625 1078757366 /nfs/dbraw/zinc/75/73/66/1078757366.db2.gz BUZOFOWAXQFIBC-UHFFFAOYSA-N 1 1 403.527 0.825 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 ZINC000616520255 1078758717 /nfs/dbraw/zinc/75/87/17/1078758717.db2.gz VNNFYPGGEFUROC-UHFFFAOYSA-N 1 1 417.510 0.398 20 0 HCADMO NC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000616534042 1078759294 /nfs/dbraw/zinc/75/92/94/1078759294.db2.gz RLUFFHJBWJHLFJ-UHFFFAOYSA-N 1 1 420.473 0.805 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000616563922 1078760472 /nfs/dbraw/zinc/76/04/72/1078760472.db2.gz WFOHPYXCFIJDSJ-CYBMUJFWSA-N 1 1 419.457 0.536 20 0 HCADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000616563922 1078760462 /nfs/dbraw/zinc/76/04/62/1078760462.db2.gz WFOHPYXCFIJDSJ-CYBMUJFWSA-N 1 1 419.457 0.536 20 0 HCADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000616563923 1078760325 /nfs/dbraw/zinc/76/03/25/1078760325.db2.gz WFOHPYXCFIJDSJ-ZDUSSCGKSA-N 1 1 419.457 0.536 20 0 HCADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N2CCNC(=O)C2)c1 ZINC000616563923 1078760313 /nfs/dbraw/zinc/76/03/13/1078760313.db2.gz WFOHPYXCFIJDSJ-ZDUSSCGKSA-N 1 1 419.457 0.536 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000616607786 1078761365 /nfs/dbraw/zinc/76/13/65/1078761365.db2.gz FPCHVUAUSSXDPL-BFYDXBDKSA-N 1 1 423.535 0.880 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607791 1078761518 /nfs/dbraw/zinc/76/15/18/1078761518.db2.gz FPCHVUAUSSXDPL-HLLBOEOZSA-N 1 1 423.535 0.880 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607791 1078761513 /nfs/dbraw/zinc/76/15/13/1078761513.db2.gz FPCHVUAUSSXDPL-HLLBOEOZSA-N 1 1 423.535 0.880 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000616607793 1078761575 /nfs/dbraw/zinc/76/15/75/1078761575.db2.gz FPCHVUAUSSXDPL-INMHGKMJSA-N 1 1 423.535 0.880 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607796 1078761491 /nfs/dbraw/zinc/76/14/91/1078761491.db2.gz FPCHVUAUSSXDPL-UXLLHSPISA-N 1 1 423.535 0.880 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C[C@H](C)O1 ZINC000616607796 1078761485 /nfs/dbraw/zinc/76/14/85/1078761485.db2.gz FPCHVUAUSSXDPL-UXLLHSPISA-N 1 1 423.535 0.880 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000616653924 1078762740 /nfs/dbraw/zinc/76/27/40/1078762740.db2.gz URJFDPVMNCEGRH-HZPDHXFCSA-N 1 1 402.495 0.925 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000616653928 1078762636 /nfs/dbraw/zinc/76/26/36/1078762636.db2.gz URJFDPVMNCEGRH-IYBDPMFKSA-N 1 1 402.495 0.925 20 0 HCADMO CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000616653928 1078762631 /nfs/dbraw/zinc/76/26/31/1078762631.db2.gz URJFDPVMNCEGRH-IYBDPMFKSA-N 1 1 402.495 0.925 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC000616703365 1078765469 /nfs/dbraw/zinc/76/54/69/1078765469.db2.gz MKDBZPCNSXYLMB-GASCZTMLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC000616703365 1078765460 /nfs/dbraw/zinc/76/54/60/1078765460.db2.gz MKDBZPCNSXYLMB-GASCZTMLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC000616703366 1078765321 /nfs/dbraw/zinc/76/53/21/1078765321.db2.gz MKDBZPCNSXYLMB-GJZGRUSLSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC000616703367 1078765495 /nfs/dbraw/zinc/76/54/95/1078765495.db2.gz MKDBZPCNSXYLMB-HUUCEWRRSA-N 1 1 402.495 0.958 20 0 HCADMO CN1CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000616719776 1078763325 /nfs/dbraw/zinc/76/33/25/1078763325.db2.gz IPZMXNMUHUICJO-UHFFFAOYSA-N 1 1 421.473 0.199 20 0 HCADMO CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000616721647 1078763394 /nfs/dbraw/zinc/76/33/94/1078763394.db2.gz YBYZZCBWCIPXIN-UHFFFAOYSA-N 1 1 401.511 0.106 20 0 HCADMO CCN(CCO)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000616723982 1078764451 /nfs/dbraw/zinc/76/44/51/1078764451.db2.gz DTZQYIZQVWMGKF-UHFFFAOYSA-N 1 1 410.446 0.266 20 0 HCADMO O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)C(=O)N2CCC(O)CC2)ccc1F ZINC000616790994 1078772879 /nfs/dbraw/zinc/77/28/79/1078772879.db2.gz AZYJHLXKSZFRNX-UHFFFAOYSA-N 1 1 422.457 0.408 20 0 HCADMO CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616795685 1078773337 /nfs/dbraw/zinc/77/33/37/1078773337.db2.gz OOBUEAHTKQYUDO-UHFFFAOYSA-N 1 1 416.522 0.827 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 ZINC000616796456 1078774199 /nfs/dbraw/zinc/77/41/99/1078774199.db2.gz HFDXLGAEYHTTCD-UHFFFAOYSA-N 1 1 415.538 0.813 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000616796461 1078774390 /nfs/dbraw/zinc/77/43/90/1078774390.db2.gz HNAUKGGTUTVPRH-UHFFFAOYSA-N 1 1 402.495 0.898 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000616796470 1078774121 /nfs/dbraw/zinc/77/41/21/1078774121.db2.gz IQRAFKJMKKDXNE-UHFFFAOYSA-N 1 1 402.495 0.898 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000616796522 1078774242 /nfs/dbraw/zinc/77/42/42/1078774242.db2.gz OBSSYZSOGCWGCV-UHFFFAOYSA-N 1 1 402.495 0.898 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1 ZINC000616796565 1078774301 /nfs/dbraw/zinc/77/43/01/1078774301.db2.gz RZRPHTTYTYDFQS-UHFFFAOYSA-N 1 1 401.467 0.824 20 0 HCADMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)cc1S(=O)(=O)N(C)C ZINC000616796570 1078774137 /nfs/dbraw/zinc/77/41/37/1078774137.db2.gz SWLOUWJNMVZIFD-UHFFFAOYSA-N 1 1 410.540 0.984 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000616806400 1078775398 /nfs/dbraw/zinc/77/53/98/1078775398.db2.gz PDIDIYDZHKUWMW-UHFFFAOYSA-N 1 1 414.506 0.581 20 0 HCADMO COC(=O)Cc1cccc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000616842507 1078778400 /nfs/dbraw/zinc/77/84/00/1078778400.db2.gz IDHLFSADIZFGDC-UHFFFAOYSA-N 1 1 413.482 0.921 20 0 HCADMO COC(=O)Cc1cccc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000616851571 1078782192 /nfs/dbraw/zinc/78/21/92/1078782192.db2.gz MQJMGBNHHHZAAW-UHFFFAOYSA-N 1 1 403.483 0.815 20 0 HCADMO CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000616879620 1078781682 /nfs/dbraw/zinc/78/16/82/1078781682.db2.gz PBFKKHMZQCEZAC-UHFFFAOYSA-N 1 1 404.511 0.873 20 0 HCADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000616934281 1078788789 /nfs/dbraw/zinc/78/87/89/1078788789.db2.gz GOGAYSCJDPLKJG-INIZCTEOSA-N 1 1 422.551 0.961 20 0 HCADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000616934282 1078788733 /nfs/dbraw/zinc/78/87/33/1078788733.db2.gz GOGAYSCJDPLKJG-MRXNPFEDSA-N 1 1 422.551 0.961 20 0 HCADMO NC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000616950850 1078794553 /nfs/dbraw/zinc/79/45/53/1078794553.db2.gz HJYVGIMFPZODQQ-UHFFFAOYSA-N 1 1 410.474 0.876 20 0 HCADMO NC(=O)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000616951376 1078794524 /nfs/dbraw/zinc/79/45/24/1078794524.db2.gz RLVAPXWNBMAWNL-UHFFFAOYSA-N 1 1 410.474 0.876 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000616951777 1078794401 /nfs/dbraw/zinc/79/44/01/1078794401.db2.gz AIUIOFHZPMNBQT-UHFFFAOYSA-N 1 1 416.503 0.811 20 0 HCADMO O=C(Nc1cccc(-n2cnnn2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000616951781 1078794277 /nfs/dbraw/zinc/79/42/77/1078794277.db2.gz AMTAJYWGFUOQKH-UHFFFAOYSA-N 1 1 405.462 0.988 20 0 HCADMO O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000616951876 1078794563 /nfs/dbraw/zinc/79/45/63/1078794563.db2.gz HNWGDUMHQXJANT-UHFFFAOYSA-N 1 1 405.462 0.988 20 0 HCADMO O=C(Nc1ccc(-n2cncn2)nc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000616952230 1078794870 /nfs/dbraw/zinc/79/48/70/1078794870.db2.gz VQLTZOFTUPKSES-UHFFFAOYSA-N 1 1 405.462 0.988 20 0 HCADMO CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000616953674 1078795346 /nfs/dbraw/zinc/79/53/46/1078795346.db2.gz FDFWCWURAGXTMV-UHFFFAOYSA-N 1 1 402.495 0.581 20 0 HCADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)cc1 ZINC000616972318 1078792693 /nfs/dbraw/zinc/79/26/93/1078792693.db2.gz AYDMRPLLTFODLS-UHFFFAOYSA-N 1 1 414.466 0.050 20 0 HCADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)cc1 ZINC000616972318 1078792683 /nfs/dbraw/zinc/79/26/83/1078792683.db2.gz AYDMRPLLTFODLS-UHFFFAOYSA-N 1 1 414.466 0.050 20 0 HCADMO O=C(CNC(=O)c1ccc(F)c(F)c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000616993230 1078796594 /nfs/dbraw/zinc/79/65/94/1078796594.db2.gz FDSOZJAKFFRDMF-UHFFFAOYSA-N 1 1 418.448 0.813 20 0 HCADMO Cc1[nH+]ccn1CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000617062470 1078802544 /nfs/dbraw/zinc/80/25/44/1078802544.db2.gz POYPXDSGLZJUNN-UHFFFAOYSA-N 1 1 407.496 0.378 20 0 HCADMO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)OCO2 ZINC000617087810 1078803852 /nfs/dbraw/zinc/80/38/52/1078803852.db2.gz QXICYRGHKDZYTL-CABCVRRESA-N 1 1 419.434 0.198 20 0 HCADMO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)OCO2 ZINC000617087816 1078803786 /nfs/dbraw/zinc/80/37/86/1078803786.db2.gz QXICYRGHKDZYTL-GJZGRUSLSA-N 1 1 419.434 0.198 20 0 HCADMO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)OCO2 ZINC000617088480 1078803882 /nfs/dbraw/zinc/80/38/82/1078803882.db2.gz RQNHHUUNYZWNJE-UHFFFAOYSA-N 1 1 407.423 0.056 20 0 HCADMO COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1)OCO2 ZINC000617088480 1078803880 /nfs/dbraw/zinc/80/38/80/1078803880.db2.gz RQNHHUUNYZWNJE-UHFFFAOYSA-N 1 1 407.423 0.056 20 0 HCADMO Cn1c2ncn(CC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC000617250792 1078808739 /nfs/dbraw/zinc/80/87/39/1078808739.db2.gz IGFVWHMOQQOMSJ-UHFFFAOYSA-N 1 1 416.526 0.548 20 0 HCADMO Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000617330578 1078810498 /nfs/dbraw/zinc/81/04/98/1078810498.db2.gz FXZMFHNTLXOWFQ-UHFFFAOYSA-N 1 1 419.507 0.241 20 0 HCADMO CN(CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000617330755 1078810630 /nfs/dbraw/zinc/81/06/30/1078810630.db2.gz SLYZXGUWTRBYCU-SFHVURJKSA-N 1 1 422.551 0.061 20 0 HCADMO COCCn1nc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)ccc1=O ZINC000617330856 1078811661 /nfs/dbraw/zinc/81/16/61/1078811661.db2.gz WMIZHYSXUBVNOJ-UHFFFAOYSA-N 1 1 413.478 0.459 20 0 HCADMO CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000617330860 1078811593 /nfs/dbraw/zinc/81/15/93/1078811593.db2.gz WQSHUNRIOFSANQ-UHFFFAOYSA-N 1 1 420.491 0.757 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC(=O)N3CCOCC3)cc2)CC1 ZINC000617330908 1078811732 /nfs/dbraw/zinc/81/17/32/1078811732.db2.gz ZSONLGROIRSYHZ-UHFFFAOYSA-N 1 1 402.495 0.581 20 0 HCADMO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cn1 ZINC000617343894 1078810978 /nfs/dbraw/zinc/81/09/78/1078810978.db2.gz BDHLIQWPWYTWRK-UHFFFAOYSA-N 1 1 407.496 0.212 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000617411332 1078812156 /nfs/dbraw/zinc/81/21/56/1078812156.db2.gz HYSPILMOCYOCPF-KRWDZBQOSA-N 1 1 408.524 0.363 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000617411333 1078812526 /nfs/dbraw/zinc/81/25/26/1078812526.db2.gz HYSPILMOCYOCPF-QGZVFWFLSA-N 1 1 408.524 0.363 20 0 HCADMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617411526 1078812507 /nfs/dbraw/zinc/81/25/07/1078812507.db2.gz NJLAUJYKGXVKMA-KDOFPFPSSA-N 1 1 411.524 0.971 20 0 HCADMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617411527 1078812458 /nfs/dbraw/zinc/81/24/58/1078812458.db2.gz NJLAUJYKGXVKMA-KSSFIOAISA-N 1 1 411.524 0.971 20 0 HCADMO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411552 1078812555 /nfs/dbraw/zinc/81/25/55/1078812555.db2.gz NRGDLMLTHKKDNE-INIZCTEOSA-N 1 1 411.524 0.469 20 0 HCADMO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000617411553 1078812501 /nfs/dbraw/zinc/81/25/01/1078812501.db2.gz NRGDLMLTHKKDNE-MRXNPFEDSA-N 1 1 411.524 0.469 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000617412299 1078812469 /nfs/dbraw/zinc/81/24/69/1078812469.db2.gz GPCQLFZMNIOGFL-INIZCTEOSA-N 1 1 410.540 0.657 20 0 HCADMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000617412300 1078812393 /nfs/dbraw/zinc/81/23/93/1078812393.db2.gz GPCQLFZMNIOGFL-MRXNPFEDSA-N 1 1 410.540 0.657 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617412781 1078812491 /nfs/dbraw/zinc/81/24/91/1078812491.db2.gz ULEAMQVRGTXSBW-KRWDZBQOSA-N 1 1 408.524 0.363 20 0 HCADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000617412782 1078812409 /nfs/dbraw/zinc/81/24/09/1078812409.db2.gz ULEAMQVRGTXSBW-QGZVFWFLSA-N 1 1 408.524 0.363 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000617413090 1078812424 /nfs/dbraw/zinc/81/24/24/1078812424.db2.gz BJSCBIJSZZVMMT-INIZCTEOSA-N 1 1 410.540 0.657 20 0 HCADMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000617413091 1078812536 /nfs/dbraw/zinc/81/25/36/1078812536.db2.gz BJSCBIJSZZVMMT-MRXNPFEDSA-N 1 1 410.540 0.657 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413535 1078812545 /nfs/dbraw/zinc/81/25/45/1078812545.db2.gz MUGDDPJXCWLYDH-KRWDZBQOSA-N 1 1 422.551 0.510 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000617413536 1078812566 /nfs/dbraw/zinc/81/25/66/1078812566.db2.gz MUGDDPJXCWLYDH-QGZVFWFLSA-N 1 1 422.551 0.510 20 0 HCADMO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCC[N@@H+](C)C1)n2C ZINC000617413974 1078812479 /nfs/dbraw/zinc/81/24/79/1078812479.db2.gz WZYNTHPMBHVRDY-AWEZNQCLSA-N 1 1 407.540 0.967 20 0 HCADMO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCC[N@@H+](C)C1)n2C ZINC000617413975 1078812571 /nfs/dbraw/zinc/81/25/71/1078812571.db2.gz WZYNTHPMBHVRDY-CQSZACIVSA-N 1 1 407.540 0.967 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000617414612 1078812448 /nfs/dbraw/zinc/81/24/48/1078812448.db2.gz MQGQMZHUSYPAFL-HNNXBMFYSA-N 1 1 410.540 0.598 20 0 HCADMO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000617414613 1078812863 /nfs/dbraw/zinc/81/28/63/1078812863.db2.gz MQGQMZHUSYPAFL-OAHLLOKOSA-N 1 1 410.540 0.598 20 0 HCADMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000617415514 1078812897 /nfs/dbraw/zinc/81/28/97/1078812897.db2.gz FCOQNSVNRHZUED-KRWDZBQOSA-N 1 1 413.540 0.794 20 0 HCADMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000617415515 1078812825 /nfs/dbraw/zinc/81/28/25/1078812825.db2.gz FCOQNSVNRHZUED-QGZVFWFLSA-N 1 1 413.540 0.794 20 0 HCADMO CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 ZINC000617512835 1078819540 /nfs/dbraw/zinc/81/95/40/1078819540.db2.gz GVEMEWONDAWMGX-UHFFFAOYSA-N 1 1 401.511 0.565 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cccc1-n1cnnn1 ZINC000617526022 1078822066 /nfs/dbraw/zinc/82/20/66/1078822066.db2.gz ATSNPQDWODFUOV-INIZCTEOSA-N 1 1 413.482 0.623 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cccc1-n1cnnn1 ZINC000617526023 1078821975 /nfs/dbraw/zinc/82/19/75/1078821975.db2.gz ATSNPQDWODFUOV-MRXNPFEDSA-N 1 1 413.482 0.623 20 0 HCADMO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617526060 1078821640 /nfs/dbraw/zinc/82/16/40/1078821640.db2.gz BQMJVZRAATXSAX-KRWDZBQOSA-N 1 1 404.467 0.203 20 0 HCADMO NC(=O)COc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617526061 1078821600 /nfs/dbraw/zinc/82/16/00/1078821600.db2.gz BQMJVZRAATXSAX-QGZVFWFLSA-N 1 1 404.467 0.203 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc12 ZINC000617526084 1078821632 /nfs/dbraw/zinc/82/16/32/1078821632.db2.gz COVPDRLZPPUXKH-INIZCTEOSA-N 1 1 400.483 0.929 20 0 HCADMO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc12 ZINC000617526085 1078821969 /nfs/dbraw/zinc/82/19/69/1078821969.db2.gz COVPDRLZPPUXKH-MRXNPFEDSA-N 1 1 400.483 0.929 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2C1=O ZINC000617526198 1078821989 /nfs/dbraw/zinc/82/19/89/1078821989.db2.gz GYFJKCNHKPGBFY-HNNXBMFYSA-N 1 1 414.462 0.564 20 0 HCADMO CN1C(=O)c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2C1=O ZINC000617526199 1078822104 /nfs/dbraw/zinc/82/21/04/1078822104.db2.gz GYFJKCNHKPGBFY-OAHLLOKOSA-N 1 1 414.462 0.564 20 0 HCADMO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617526215 1078821560 /nfs/dbraw/zinc/82/15/60/1078821560.db2.gz HQYXQKGMSAVPAQ-IBGZPJMESA-N 1 1 416.522 0.969 20 0 HCADMO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617526216 1078821518 /nfs/dbraw/zinc/82/15/18/1078821518.db2.gz HQYXQKGMSAVPAQ-LJQANCHMSA-N 1 1 416.522 0.969 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000617526417 1078821547 /nfs/dbraw/zinc/82/15/47/1078821547.db2.gz KUCWTDBORUMYOR-INIZCTEOSA-N 1 1 409.508 0.742 20 0 HCADMO CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000617526418 1078821652 /nfs/dbraw/zinc/82/16/52/1078821652.db2.gz KUCWTDBORUMYOR-MRXNPFEDSA-N 1 1 409.508 0.742 20 0 HCADMO O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000617526466 1078821617 /nfs/dbraw/zinc/82/16/17/1078821617.db2.gz LZNRCLKYNQNLCY-IBGZPJMESA-N 1 1 412.494 0.978 20 0 HCADMO O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000617526467 1078821506 /nfs/dbraw/zinc/82/15/06/1078821506.db2.gz LZNRCLKYNQNLCY-LJQANCHMSA-N 1 1 412.494 0.978 20 0 HCADMO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000617526494 1078821586 /nfs/dbraw/zinc/82/15/86/1078821586.db2.gz MGMGGZJPNBWADP-GOSISDBHSA-N 1 1 415.494 0.868 20 0 HCADMO O=C(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000617526507 1078821569 /nfs/dbraw/zinc/82/15/69/1078821569.db2.gz MGMGGZJPNBWADP-SFHVURJKSA-N 1 1 415.494 0.868 20 0 HCADMO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617526515 1078822052 /nfs/dbraw/zinc/82/20/52/1078822052.db2.gz MQFJPFSGFDKTRX-INIZCTEOSA-N 1 1 418.494 0.707 20 0 HCADMO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617526519 1078821951 /nfs/dbraw/zinc/82/19/51/1078821951.db2.gz MQFJPFSGFDKTRX-MRXNPFEDSA-N 1 1 418.494 0.707 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000617527083 1078822042 /nfs/dbraw/zinc/82/20/42/1078822042.db2.gz RNNZUILGLWOKJK-KRWDZBQOSA-N 1 1 413.482 0.623 20 0 HCADMO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ccc1-n1cnnn1 ZINC000617527084 1078822084 /nfs/dbraw/zinc/82/20/84/1078822084.db2.gz RNNZUILGLWOKJK-QGZVFWFLSA-N 1 1 413.482 0.623 20 0 HCADMO CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000617527239 1078821959 /nfs/dbraw/zinc/82/19/59/1078821959.db2.gz TWZUQZCESVTAAE-INIZCTEOSA-N 1 1 409.508 0.742 20 0 HCADMO CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000617527240 1078822011 /nfs/dbraw/zinc/82/20/11/1078822011.db2.gz TWZUQZCESVTAAE-MRXNPFEDSA-N 1 1 409.508 0.742 20 0 HCADMO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000617527253 1078822034 /nfs/dbraw/zinc/82/20/34/1078822034.db2.gz UOIFFCLGUSMJHN-HNNXBMFYSA-N 1 1 402.451 0.669 20 0 HCADMO 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1 412.512 0.149 20 0 HCADMO COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000617886128 1078846852 /nfs/dbraw/zinc/84/68/52/1078846852.db2.gz SZOVQFLNEVRSHI-ZFWWWQNUSA-N 1 1 412.512 0.149 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000617886330 1078846888 /nfs/dbraw/zinc/84/68/88/1078846888.db2.gz XEAZIMAOLGFQRA-AWEZNQCLSA-N 1 1 407.496 0.306 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000617886336 1078846795 /nfs/dbraw/zinc/84/67/95/1078846795.db2.gz XEAZIMAOLGFQRA-CQSZACIVSA-N 1 1 407.496 0.306 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617886359 1078846871 /nfs/dbraw/zinc/84/68/71/1078846871.db2.gz YDPIZHJXTWGNRH-HNNXBMFYSA-N 1 1 424.523 0.165 20 0 HCADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000617886363 1078846838 /nfs/dbraw/zinc/84/68/38/1078846838.db2.gz YDPIZHJXTWGNRH-OAHLLOKOSA-N 1 1 424.523 0.165 20 0 HCADMO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1OCC(=O)NC1CC1 ZINC000617886641 1078846380 /nfs/dbraw/zinc/84/63/80/1078846380.db2.gz ABNDRLDZKLYNIH-HNNXBMFYSA-N 1 1 404.467 0.502 20 0 HCADMO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1OCC(=O)NC1CC1 ZINC000617886642 1078846443 /nfs/dbraw/zinc/84/64/43/1078846443.db2.gz ABNDRLDZKLYNIH-OAHLLOKOSA-N 1 1 404.467 0.502 20 0 HCADMO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617886786 1078846502 /nfs/dbraw/zinc/84/65/02/1078846502.db2.gz BUCABYKLSUIHLA-CYBMUJFWSA-N 1 1 410.496 0.285 20 0 HCADMO COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617886791 1078846475 /nfs/dbraw/zinc/84/64/75/1078846475.db2.gz BUCABYKLSUIHLA-ZDUSSCGKSA-N 1 1 410.496 0.285 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000617886839 1078846329 /nfs/dbraw/zinc/84/63/29/1078846329.db2.gz CQADLTAKIANQAP-GFCCVEGCSA-N 1 1 402.904 0.739 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1Cl ZINC000617886840 1078846423 /nfs/dbraw/zinc/84/64/23/1078846423.db2.gz CQADLTAKIANQAP-LBPRGKRZSA-N 1 1 402.904 0.739 20 0 HCADMO CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887225 1078847333 /nfs/dbraw/zinc/84/73/33/1078847333.db2.gz IUNHBUWQTPDEHV-GOSISDBHSA-N 1 1 401.511 0.533 20 0 HCADMO CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000617887226 1078847249 /nfs/dbraw/zinc/84/72/49/1078847249.db2.gz IUNHBUWQTPDEHV-SFHVURJKSA-N 1 1 401.511 0.533 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000617887373 1078847289 /nfs/dbraw/zinc/84/72/89/1078847289.db2.gz KJLZTXZRLCNWSZ-KRWDZBQOSA-N 1 1 403.483 0.106 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 ZINC000617887374 1078847348 /nfs/dbraw/zinc/84/73/48/1078847348.db2.gz KJLZTXZRLCNWSZ-QGZVFWFLSA-N 1 1 403.483 0.106 20 0 HCADMO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000617887582 1078846783 /nfs/dbraw/zinc/84/67/83/1078846783.db2.gz NFVMAKNWZVYMPN-GOSISDBHSA-N 1 1 403.527 0.907 20 0 HCADMO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000617887588 1078847318 /nfs/dbraw/zinc/84/73/18/1078847318.db2.gz NFVMAKNWZVYMPN-SFHVURJKSA-N 1 1 403.527 0.907 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000617888300 1078847361 /nfs/dbraw/zinc/84/73/61/1078847361.db2.gz YKRCAGLLYOGQND-KRWDZBQOSA-N 1 1 408.462 0.693 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 ZINC000617888301 1078847273 /nfs/dbraw/zinc/84/72/73/1078847273.db2.gz YKRCAGLLYOGQND-QGZVFWFLSA-N 1 1 408.462 0.693 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617915803 1078847761 /nfs/dbraw/zinc/84/77/61/1078847761.db2.gz YORLRCUHQXFTCB-AWEZNQCLSA-N 1 1 412.512 0.932 20 0 HCADMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000617915804 1078847682 /nfs/dbraw/zinc/84/76/82/1078847682.db2.gz YORLRCUHQXFTCB-CQSZACIVSA-N 1 1 412.512 0.932 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2O1 ZINC000617925271 1078848632 /nfs/dbraw/zinc/84/86/32/1078848632.db2.gz XMTHEZVQFMYNOQ-CRAIPNDOSA-N 1 1 419.478 0.571 20 0 HCADMO COC(=O)[C@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2O1 ZINC000617925277 1078848533 /nfs/dbraw/zinc/84/85/33/1078848533.db2.gz XMTHEZVQFMYNOQ-MAUKXSAKSA-N 1 1 419.478 0.571 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2O1 ZINC000617925278 1078848668 /nfs/dbraw/zinc/84/86/68/1078848668.db2.gz XMTHEZVQFMYNOQ-QAPCUYQASA-N 1 1 419.478 0.571 20 0 HCADMO COC(=O)[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2O1 ZINC000617925279 1078848570 /nfs/dbraw/zinc/84/85/70/1078848570.db2.gz XMTHEZVQFMYNOQ-YJBOKZPZSA-N 1 1 419.478 0.571 20 0 HCADMO O=C(CC[C@H]1NC(=O)NC1=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000618150760 1078856364 /nfs/dbraw/zinc/85/63/64/1078856364.db2.gz WBKDKIOJVDRBTR-GOSISDBHSA-N 1 1 401.511 0.689 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000618357860 1078858728 /nfs/dbraw/zinc/85/87/28/1078858728.db2.gz WGLPQHDPZFQNLK-INIZCTEOSA-N 1 1 413.471 0.715 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000618357860 1078858727 /nfs/dbraw/zinc/85/87/27/1078858727.db2.gz WGLPQHDPZFQNLK-INIZCTEOSA-N 1 1 413.471 0.715 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1F ZINC000618357861 1078858647 /nfs/dbraw/zinc/85/86/47/1078858647.db2.gz WGLPQHDPZFQNLK-MRXNPFEDSA-N 1 1 413.471 0.715 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1F ZINC000618357861 1078858640 /nfs/dbraw/zinc/85/86/40/1078858640.db2.gz WGLPQHDPZFQNLK-MRXNPFEDSA-N 1 1 413.471 0.715 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395093 1078859520 /nfs/dbraw/zinc/85/95/20/1078859520.db2.gz UMHDALITISVOLR-IBGZPJMESA-N 1 1 408.568 0.864 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCN3S(C)(=O)=O)cc2)CC1 ZINC000618395094 1078859537 /nfs/dbraw/zinc/85/95/37/1078859537.db2.gz UMHDALITISVOLR-LJQANCHMSA-N 1 1 408.568 0.864 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400555 1078859896 /nfs/dbraw/zinc/85/98/96/1078859896.db2.gz TXRYEPZCWWQHOJ-KRWDZBQOSA-N 1 1 410.584 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000618400556 1078859865 /nfs/dbraw/zinc/85/98/65/1078859865.db2.gz TXRYEPZCWWQHOJ-QGZVFWFLSA-N 1 1 410.584 0.782 20 0 HCADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000618400647 1078859434 /nfs/dbraw/zinc/85/94/34/1078859434.db2.gz CVZDKKHSSRDOHT-AWEZNQCLSA-N 1 1 409.512 0.617 20 0 HCADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000618400648 1078859557 /nfs/dbraw/zinc/85/95/57/1078859557.db2.gz CVZDKKHSSRDOHT-CQSZACIVSA-N 1 1 409.512 0.617 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000618401236 1078859462 /nfs/dbraw/zinc/85/94/62/1078859462.db2.gz GZUGPXISXBRPMZ-UHFFFAOYSA-N 1 1 410.584 0.876 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000618401236 1078859461 /nfs/dbraw/zinc/85/94/61/1078859461.db2.gz GZUGPXISXBRPMZ-UHFFFAOYSA-N 1 1 410.584 0.876 20 0 HCADMO CN(CC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C(=O)C1CC1 ZINC000618406741 1078860183 /nfs/dbraw/zinc/86/01/83/1078860183.db2.gz QXFFUXDTZVGUIT-UHFFFAOYSA-N 1 1 402.495 0.832 20 0 HCADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000618407782 1078860247 /nfs/dbraw/zinc/86/02/47/1078860247.db2.gz IJLRSPHYIMHHAQ-UHFFFAOYSA-N 1 1 404.515 0.403 20 0 HCADMO CCOC1CCN(CC(=O)N2CCN(C(=O)C[NH+]3CCC(OCC)CC3)CC2)CC1 ZINC000618445043 1078860562 /nfs/dbraw/zinc/86/05/62/1078860562.db2.gz ZFOAQIWDVBCQKR-UHFFFAOYSA-N 1 1 424.586 0.659 20 0 HCADMO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000618461293 1078861280 /nfs/dbraw/zinc/86/12/80/1078861280.db2.gz JMBSALHBQUAQHT-GFCCVEGCSA-N 1 1 402.542 0.388 20 0 HCADMO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)s1 ZINC000618461294 1078861271 /nfs/dbraw/zinc/86/12/71/1078861271.db2.gz JMBSALHBQUAQHT-LBPRGKRZSA-N 1 1 402.542 0.388 20 0 HCADMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000618462486 1078861253 /nfs/dbraw/zinc/86/12/53/1078861253.db2.gz BTEGPRBQDVXDGB-AWEZNQCLSA-N 1 1 403.526 0.080 20 0 HCADMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000618462486 1078861250 /nfs/dbraw/zinc/86/12/50/1078861250.db2.gz BTEGPRBQDVXDGB-AWEZNQCLSA-N 1 1 403.526 0.080 20 0 HCADMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000618462487 1078861195 /nfs/dbraw/zinc/86/11/95/1078861195.db2.gz BTEGPRBQDVXDGB-CQSZACIVSA-N 1 1 403.526 0.080 20 0 HCADMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000618462487 1078861191 /nfs/dbraw/zinc/86/11/91/1078861191.db2.gz BTEGPRBQDVXDGB-CQSZACIVSA-N 1 1 403.526 0.080 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000618493392 1078863075 /nfs/dbraw/zinc/86/30/75/1078863075.db2.gz QAFMBDPLJIRGEX-GXSJLCMTSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000618493392 1078863071 /nfs/dbraw/zinc/86/30/71/1078863071.db2.gz QAFMBDPLJIRGEX-GXSJLCMTSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618493393 1078862973 /nfs/dbraw/zinc/86/29/73/1078862973.db2.gz QAFMBDPLJIRGEX-KOLCDFICSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000618493393 1078862968 /nfs/dbraw/zinc/86/29/68/1078862968.db2.gz QAFMBDPLJIRGEX-KOLCDFICSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000618493394 1078862995 /nfs/dbraw/zinc/86/29/95/1078862995.db2.gz QAFMBDPLJIRGEX-MWLCHTKSSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000618493394 1078862989 /nfs/dbraw/zinc/86/29/89/1078862989.db2.gz QAFMBDPLJIRGEX-MWLCHTKSSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618493395 1078863044 /nfs/dbraw/zinc/86/30/44/1078863044.db2.gz QAFMBDPLJIRGEX-ONGXEEELSA-N 1 1 418.235 0.460 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(I)cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000618493395 1078863043 /nfs/dbraw/zinc/86/30/43/1078863043.db2.gz QAFMBDPLJIRGEX-ONGXEEELSA-N 1 1 418.235 0.460 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000618497207 1078862281 /nfs/dbraw/zinc/86/22/81/1078862281.db2.gz HHXWVIQTGPKIEG-INIZCTEOSA-N 1 1 406.512 0.362 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000618497213 1078862258 /nfs/dbraw/zinc/86/22/58/1078862258.db2.gz HHXWVIQTGPKIEG-MRXNPFEDSA-N 1 1 406.512 0.362 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000618535872 1078864465 /nfs/dbraw/zinc/86/44/65/1078864465.db2.gz RVNRGBSKBSNLSB-KRWDZBQOSA-N 1 1 420.539 0.753 20 0 HCADMO CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000618535876 1078864447 /nfs/dbraw/zinc/86/44/47/1078864447.db2.gz RVNRGBSKBSNLSB-QGZVFWFLSA-N 1 1 420.539 0.753 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548374 1078864137 /nfs/dbraw/zinc/86/41/37/1078864137.db2.gz BHQCYXOEEGWJIW-GOSISDBHSA-N 1 1 410.540 0.742 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000618548375 1078864086 /nfs/dbraw/zinc/86/40/86/1078864086.db2.gz BHQCYXOEEGWJIW-SFHVURJKSA-N 1 1 410.540 0.742 20 0 HCADMO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC000618551321 1078864022 /nfs/dbraw/zinc/86/40/22/1078864022.db2.gz VDKOJPIHFUMUDL-GOSISDBHSA-N 1 1 403.479 0.842 20 0 HCADMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(CO)(OC)CC1 ZINC000618551322 1078864074 /nfs/dbraw/zinc/86/40/74/1078864074.db2.gz VDKOJPIHFUMUDL-SFHVURJKSA-N 1 1 403.479 0.842 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC000618560510 1078864930 /nfs/dbraw/zinc/86/49/30/1078864930.db2.gz ACVGVOHXIVJUKU-HNNXBMFYSA-N 1 1 421.523 0.291 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)C1 ZINC000618560511 1078864843 /nfs/dbraw/zinc/86/48/43/1078864843.db2.gz ACVGVOHXIVJUKU-OAHLLOKOSA-N 1 1 421.523 0.291 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000618561093 1078865305 /nfs/dbraw/zinc/86/53/05/1078865305.db2.gz MFPASEZDQDYHFB-CYBMUJFWSA-N 1 1 424.552 0.801 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000618561094 1078865335 /nfs/dbraw/zinc/86/53/35/1078865335.db2.gz MFPASEZDQDYHFB-ZDUSSCGKSA-N 1 1 424.552 0.801 20 0 HCADMO O=C(Nc1ccc2c(c1)OCC(=O)N2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000618598419 1078866334 /nfs/dbraw/zinc/86/63/34/1078866334.db2.gz AMUISSOFYFKJHS-HNNXBMFYSA-N 1 1 402.451 0.669 20 0 HCADMO O=C(Nc1ccc2c(c1)OCC(=O)N2)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000618598423 1078866273 /nfs/dbraw/zinc/86/62/73/1078866273.db2.gz AMUISSOFYFKJHS-OAHLLOKOSA-N 1 1 402.451 0.669 20 0 HCADMO C[NH+]1CCN([C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)c2cccs2)CC1 ZINC000618637870 1078866959 /nfs/dbraw/zinc/86/69/59/1078866959.db2.gz KVVYZFRWTGSNBO-AWEZNQCLSA-N 1 1 402.586 0.871 20 0 HCADMO C[NH+]1CCN([C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)c2cccs2)CC1 ZINC000618637876 1078866999 /nfs/dbraw/zinc/86/69/99/1078866999.db2.gz KVVYZFRWTGSNBO-CQSZACIVSA-N 1 1 402.586 0.871 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000618647429 1078866689 /nfs/dbraw/zinc/86/66/89/1078866689.db2.gz IFARUYBOCIHEMJ-UHFFFAOYSA-N 1 1 410.540 0.408 20 0 HCADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CS(=O)(=O)NC(C)(C)C)cc2)CC1 ZINC000618665937 1078867831 /nfs/dbraw/zinc/86/78/31/1078867831.db2.gz WPNNARWPSLQXAH-UHFFFAOYSA-N 1 1 410.540 0.660 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000618687486 1078868221 /nfs/dbraw/zinc/86/82/21/1078868221.db2.gz JXRXUWRSFNMJJW-UHFFFAOYSA-N 1 1 420.535 0.908 20 0 HCADMO C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N@H+]1CCc2sccc2C1 ZINC000618719170 1078871674 /nfs/dbraw/zinc/87/16/74/1078871674.db2.gz YHBMDGRAVOTGIQ-GFCCVEGCSA-N 1 1 415.519 0.814 20 0 HCADMO C[C@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N@@H+]1CCc2sccc2C1 ZINC000618719170 1078871672 /nfs/dbraw/zinc/87/16/72/1078871672.db2.gz YHBMDGRAVOTGIQ-GFCCVEGCSA-N 1 1 415.519 0.814 20 0 HCADMO C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N@H+]1CCc2sccc2C1 ZINC000618719172 1078871684 /nfs/dbraw/zinc/87/16/84/1078871684.db2.gz YHBMDGRAVOTGIQ-LBPRGKRZSA-N 1 1 415.519 0.814 20 0 HCADMO C[C@@H](CNC(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)[N@@H+]1CCc2sccc2C1 ZINC000618719172 1078871682 /nfs/dbraw/zinc/87/16/82/1078871682.db2.gz YHBMDGRAVOTGIQ-LBPRGKRZSA-N 1 1 415.519 0.814 20 0 HCADMO COC(=O)c1cc(NC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)cc(C(=O)OC)c1 ZINC000618903184 1078877636 /nfs/dbraw/zinc/87/76/36/1078877636.db2.gz BIFILPZHBWKICB-UHFFFAOYSA-N 1 1 401.423 0.744 20 0 HCADMO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc1 ZINC000618907747 1078878087 /nfs/dbraw/zinc/87/80/87/1078878087.db2.gz PQEOAJICGXADFS-HNNXBMFYSA-N 1 1 411.572 0.981 20 0 HCADMO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cc1 ZINC000618907748 1078877968 /nfs/dbraw/zinc/87/79/68/1078877968.db2.gz PQEOAJICGXADFS-OAHLLOKOSA-N 1 1 411.572 0.981 20 0 HCADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930712 1078877927 /nfs/dbraw/zinc/87/79/27/1078877927.db2.gz YMNCEAFBJRRBRQ-FUHWJXTLSA-N 1 1 409.556 0.956 20 0 HCADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000618930717 1078878066 /nfs/dbraw/zinc/87/80/66/1078878066.db2.gz YMNCEAFBJRRBRQ-SJLPKXTDSA-N 1 1 409.556 0.956 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000618942618 1078879146 /nfs/dbraw/zinc/87/91/46/1078879146.db2.gz IKNROVLNQHKTHD-XHSDSOJGSA-N 1 1 416.588 0.736 20 0 HCADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000618942741 1078879101 /nfs/dbraw/zinc/87/91/01/1078879101.db2.gz ZLENMJOBJZFUMJ-IYBDPMFKSA-N 1 1 406.535 0.283 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cc1 ZINC000618959855 1078879043 /nfs/dbraw/zinc/87/90/43/1078879043.db2.gz FLHLKEBRHSYTIM-UHFFFAOYSA-N 1 1 416.503 0.936 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1 ZINC000618959855 1078879041 /nfs/dbraw/zinc/87/90/41/1078879041.db2.gz FLHLKEBRHSYTIM-UHFFFAOYSA-N 1 1 416.503 0.936 20 0 HCADMO CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 ZINC000618979750 1078879753 /nfs/dbraw/zinc/87/97/53/1078879753.db2.gz QROIIZSAVKJGOW-UHFFFAOYSA-N 1 1 401.511 0.567 20 0 HCADMO COC(=O)c1cncc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000618994679 1078880155 /nfs/dbraw/zinc/88/01/55/1078880155.db2.gz LJVCWJVPSYUJSV-UHFFFAOYSA-N 1 1 406.468 0.235 20 0 HCADMO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000618995238 1078880436 /nfs/dbraw/zinc/88/04/36/1078880436.db2.gz XDHIHBKIPLGISZ-KRWDZBQOSA-N 1 1 422.551 0.758 20 0 HCADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000618995239 1078880357 /nfs/dbraw/zinc/88/03/57/1078880357.db2.gz XDHIHBKIPLGISZ-QGZVFWFLSA-N 1 1 422.551 0.758 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)[nH+]c1 ZINC000618996787 1078880331 /nfs/dbraw/zinc/88/03/31/1078880331.db2.gz YXJPREVYNFPCNC-GOSISDBHSA-N 1 1 406.552 0.938 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)[nH+]c1 ZINC000618996790 1078880375 /nfs/dbraw/zinc/88/03/75/1078880375.db2.gz YXJPREVYNFPCNC-SFHVURJKSA-N 1 1 406.552 0.938 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)[nH+]c1 ZINC000618996956 1078880413 /nfs/dbraw/zinc/88/04/13/1078880413.db2.gz UHQKFLKXIIGZPX-UHFFFAOYSA-N 1 1 415.538 0.609 20 0 HCADMO COCCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000618999549 1078880368 /nfs/dbraw/zinc/88/03/68/1078880368.db2.gz PWGYOLKRZVPEOX-UHFFFAOYSA-N 1 1 403.527 0.513 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)CC2)[nH+]c1 ZINC000619000357 1078880687 /nfs/dbraw/zinc/88/06/87/1078880687.db2.gz TUWMOGKSZUKIOS-UHFFFAOYSA-N 1 1 401.511 0.802 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2)[nH+]c1 ZINC000619005606 1078881282 /nfs/dbraw/zinc/88/12/82/1078881282.db2.gz LNVZXJDPKPPRIL-UHFFFAOYSA-N 1 1 415.538 0.609 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)[nH+]c1 ZINC000619019266 1078882684 /nfs/dbraw/zinc/88/26/84/1078882684.db2.gz PQUDUADHLAVKNW-INIZCTEOSA-N 1 1 408.524 0.368 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)[nH+]c1 ZINC000619019267 1078882757 /nfs/dbraw/zinc/88/27/57/1078882757.db2.gz PQUDUADHLAVKNW-MRXNPFEDSA-N 1 1 408.524 0.368 20 0 HCADMO Cc1ccc(N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)[nH+]c1 ZINC000619023909 1078883170 /nfs/dbraw/zinc/88/31/70/1078883170.db2.gz RQNOCMVVJMTFKF-UHFFFAOYSA-N 1 1 413.522 0.900 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000619040396 1078883580 /nfs/dbraw/zinc/88/35/80/1078883580.db2.gz OGTNXWZVDSZZLO-CVEARBPZSA-N 1 1 412.556 0.896 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000619040397 1078883433 /nfs/dbraw/zinc/88/34/33/1078883433.db2.gz OGTNXWZVDSZZLO-HOTGVXAUSA-N 1 1 412.556 0.896 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000619040398 1078883484 /nfs/dbraw/zinc/88/34/84/1078883484.db2.gz OGTNXWZVDSZZLO-HZPDHXFCSA-N 1 1 412.556 0.896 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000619040399 1078883411 /nfs/dbraw/zinc/88/34/11/1078883411.db2.gz OGTNXWZVDSZZLO-JKSUJKDBSA-N 1 1 412.556 0.896 20 0 HCADMO COc1ccc(OC)c(S(=O)(=O)N2CCN(CCC[NH+]3CCOCC3)CC2)c1 ZINC000619231397 1078891165 /nfs/dbraw/zinc/89/11/65/1078891165.db2.gz VUSTUXKQDIMIQS-UHFFFAOYSA-N 1 1 413.540 0.732 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000619319646 1078893548 /nfs/dbraw/zinc/89/35/48/1078893548.db2.gz ISLVWQFAKARHAV-UHFFFAOYSA-N 1 1 423.539 0.253 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000619363462 1078894432 /nfs/dbraw/zinc/89/44/32/1078894432.db2.gz UWLHLKMTOVVMDA-IRXDYDNUSA-N 1 1 417.576 0.011 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000619363463 1078894369 /nfs/dbraw/zinc/89/43/69/1078894369.db2.gz UWLHLKMTOVVMDA-SJORKVTESA-N 1 1 417.576 0.011 20 0 HCADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000619403363 1078895795 /nfs/dbraw/zinc/89/57/95/1078895795.db2.gz MMGQYUJJFXJMGF-OTWHNJEPSA-N 1 1 409.575 0.539 20 0 HCADMO COC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(F)c1 ZINC000619480340 1078902303 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CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000619793938 1078942321 /nfs/dbraw/zinc/94/23/21/1078942321.db2.gz BAKANSZSWACQOL-RTBURBONSA-N 1 1 413.522 0.756 20 0 HCADMO CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000619806847 1078941084 /nfs/dbraw/zinc/94/10/84/1078941084.db2.gz DNNIBPQRTZRPFA-HNNXBMFYSA-N 1 1 405.499 0.568 20 0 HCADMO CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC000619806848 1078940938 /nfs/dbraw/zinc/94/09/38/1078940938.db2.gz DNNIBPQRTZRPFA-OAHLLOKOSA-N 1 1 405.499 0.568 20 0 HCADMO COC(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1N ZINC000619813456 1078942908 /nfs/dbraw/zinc/94/29/08/1078942908.db2.gz YVEFTECIFOHMAM-INIZCTEOSA-N 1 1 404.467 0.707 20 0 HCADMO COC(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1N ZINC000619813457 1078943096 /nfs/dbraw/zinc/94/30/96/1078943096.db2.gz YVEFTECIFOHMAM-MRXNPFEDSA-N 1 1 404.467 0.707 20 0 HCADMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000619827312 1078945131 /nfs/dbraw/zinc/94/51/31/1078945131.db2.gz JBLKNMBDHKLJPP-KRWDZBQOSA-N 1 1 415.538 0.861 20 0 HCADMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)C1 ZINC000619827313 1078945322 /nfs/dbraw/zinc/94/53/22/1078945322.db2.gz JBLKNMBDHKLJPP-QGZVFWFLSA-N 1 1 415.538 0.861 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000619830767 1078947069 /nfs/dbraw/zinc/94/70/69/1078947069.db2.gz XVXBDSWTSSNOLJ-AWEZNQCLSA-N 1 1 424.448 0.928 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000619830768 1078947083 /nfs/dbraw/zinc/94/70/83/1078947083.db2.gz XVXBDSWTSSNOLJ-CQSZACIVSA-N 1 1 424.448 0.928 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000619832998 1078947675 /nfs/dbraw/zinc/94/76/75/1078947675.db2.gz LJEXHZAZYHRNPF-CABCVRRESA-N 1 1 411.405 0.748 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000619832999 1078947497 /nfs/dbraw/zinc/94/74/97/1078947497.db2.gz LJEXHZAZYHRNPF-GJZGRUSLSA-N 1 1 411.405 0.748 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000619833000 1078947657 /nfs/dbraw/zinc/94/76/57/1078947657.db2.gz LJEXHZAZYHRNPF-HUUCEWRRSA-N 1 1 411.405 0.748 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000619833001 1078947703 /nfs/dbraw/zinc/94/77/03/1078947703.db2.gz LJEXHZAZYHRNPF-LSDHHAIUSA-N 1 1 411.405 0.748 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1F ZINC000619833530 1078947569 /nfs/dbraw/zinc/94/75/69/1078947569.db2.gz FCGDFJMXYWMQND-GFCCVEGCSA-N 1 1 424.448 0.975 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1F ZINC000619833530 1078947561 /nfs/dbraw/zinc/94/75/61/1078947561.db2.gz FCGDFJMXYWMQND-GFCCVEGCSA-N 1 1 424.448 0.975 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1F ZINC000619833531 1078947748 /nfs/dbraw/zinc/94/77/48/1078947748.db2.gz FCGDFJMXYWMQND-LBPRGKRZSA-N 1 1 424.448 0.975 20 0 HCADMO COC(=O)c1c(F)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1F ZINC000619833531 1078947740 /nfs/dbraw/zinc/94/77/40/1078947740.db2.gz FCGDFJMXYWMQND-LBPRGKRZSA-N 1 1 424.448 0.975 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000619874182 1078954279 /nfs/dbraw/zinc/95/42/79/1078954279.db2.gz DLZWVYKHPKDUEE-CRAIPNDOSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000619874182 1078954268 /nfs/dbraw/zinc/95/42/68/1078954268.db2.gz DLZWVYKHPKDUEE-CRAIPNDOSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000619874183 1078954388 /nfs/dbraw/zinc/95/43/88/1078954388.db2.gz DLZWVYKHPKDUEE-MAUKXSAKSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000619874183 1078954384 /nfs/dbraw/zinc/95/43/84/1078954384.db2.gz DLZWVYKHPKDUEE-MAUKXSAKSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000619874184 1078954449 /nfs/dbraw/zinc/95/44/49/1078954449.db2.gz DLZWVYKHPKDUEE-QAPCUYQASA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000619874184 1078954445 /nfs/dbraw/zinc/95/44/45/1078954445.db2.gz DLZWVYKHPKDUEE-QAPCUYQASA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000619874185 1078954250 /nfs/dbraw/zinc/95/42/50/1078954250.db2.gz DLZWVYKHPKDUEE-YJBOKZPZSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000619874185 1078954243 /nfs/dbraw/zinc/95/42/43/1078954243.db2.gz DLZWVYKHPKDUEE-YJBOKZPZSA-N 1 1 403.479 0.340 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619876787 1078957215 /nfs/dbraw/zinc/95/72/15/1078957215.db2.gz WXICLHOUBXHJPJ-MOPGFXCFSA-N 1 1 417.506 0.805 20 0 HCADMO CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619876788 1078957274 /nfs/dbraw/zinc/95/72/74/1078957274.db2.gz WXICLHOUBXHJPJ-OALUTQOASA-N 1 1 417.506 0.805 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619876789 1078957142 /nfs/dbraw/zinc/95/71/42/1078957142.db2.gz WXICLHOUBXHJPJ-RBUKOAKNSA-N 1 1 417.506 0.805 20 0 HCADMO CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000619876790 1078957161 /nfs/dbraw/zinc/95/71/61/1078957161.db2.gz WXICLHOUBXHJPJ-RTBURBONSA-N 1 1 417.506 0.805 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000619934551 1078963698 /nfs/dbraw/zinc/96/36/98/1078963698.db2.gz XDZYTCQCDJNGJE-HNNXBMFYSA-N 1 1 408.499 0.480 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000619934552 1078963573 /nfs/dbraw/zinc/96/35/73/1078963573.db2.gz XDZYTCQCDJNGJE-OAHLLOKOSA-N 1 1 408.499 0.480 20 0 HCADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCCN(C)S(C)(=O)=O)c2)CCO1 ZINC000619939102 1078963476 /nfs/dbraw/zinc/96/34/76/1078963476.db2.gz HGAGWRKJTIUVRO-INIZCTEOSA-N 1 1 412.556 0.988 20 0 HCADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCCCN(C)S(C)(=O)=O)c2)CCO1 ZINC000619939102 1078963468 /nfs/dbraw/zinc/96/34/68/1078963468.db2.gz HGAGWRKJTIUVRO-INIZCTEOSA-N 1 1 412.556 0.988 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCCN(C)S(C)(=O)=O)c2)CCO1 ZINC000619939103 1078963769 /nfs/dbraw/zinc/96/37/69/1078963769.db2.gz HGAGWRKJTIUVRO-MRXNPFEDSA-N 1 1 412.556 0.988 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCCN(C)S(C)(=O)=O)c2)CCO1 ZINC000619939103 1078963759 /nfs/dbraw/zinc/96/37/59/1078963759.db2.gz HGAGWRKJTIUVRO-MRXNPFEDSA-N 1 1 412.556 0.988 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000619944955 1078962687 /nfs/dbraw/zinc/96/26/87/1078962687.db2.gz FLAPDGOQSLXKGP-UHFFFAOYSA-N 1 1 424.502 0.953 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000619956138 1078964265 /nfs/dbraw/zinc/96/42/65/1078964265.db2.gz XMBFXHSQZBKQRC-KRWDZBQOSA-N 1 1 412.581 0.727 20 0 HCADMO CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000619956139 1078964544 /nfs/dbraw/zinc/96/45/44/1078964544.db2.gz XMBFXHSQZBKQRC-QGZVFWFLSA-N 1 1 412.581 0.727 20 0 HCADMO Nc1nn2c(nc(CN3CC[NH+](CCOc4ccc(Cl)cc4)CC3)cc2=O)[nH]1 ZINC000619970073 1078969104 /nfs/dbraw/zinc/96/91/04/1078969104.db2.gz ZKCXNKWTPLFUMD-UHFFFAOYSA-N 1 1 403.874 0.680 20 0 HCADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971861 1078970005 /nfs/dbraw/zinc/97/00/05/1078970005.db2.gz XQSRZSQNQQYECA-KBPBESRZSA-N 1 1 407.540 0.496 20 0 HCADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971862 1078970224 /nfs/dbraw/zinc/97/02/24/1078970224.db2.gz XQSRZSQNQQYECA-KGLIPLIRSA-N 1 1 407.540 0.496 20 0 HCADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971863 1078970485 /nfs/dbraw/zinc/97/04/85/1078970485.db2.gz XQSRZSQNQQYECA-UONOGXRCSA-N 1 1 407.540 0.496 20 0 HCADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000619971864 1078970554 /nfs/dbraw/zinc/97/05/54/1078970554.db2.gz XQSRZSQNQQYECA-ZIAGYGMSSA-N 1 1 407.540 0.496 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000620004744 1078973135 /nfs/dbraw/zinc/97/31/35/1078973135.db2.gz XCOFXHGMHVQQDQ-UHFFFAOYSA-N 1 1 402.539 0.805 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000620069951 1078979974 /nfs/dbraw/zinc/97/99/74/1078979974.db2.gz WODXWIIDKSZJIF-UHFFFAOYSA-N 1 1 401.467 0.668 20 0 HCADMO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000620105209 1078982514 /nfs/dbraw/zinc/98/25/14/1078982514.db2.gz GXBHDXIMVYIOQP-UHFFFAOYSA-N 1 1 423.539 0.886 20 0 HCADMO CN1CC[NH+](CCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000620159330 1078986137 /nfs/dbraw/zinc/98/61/37/1078986137.db2.gz UEIQCGURXWXIRL-UHFFFAOYSA-N 1 1 400.520 0.638 20 0 HCADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000620168596 1078987898 /nfs/dbraw/zinc/98/78/98/1078987898.db2.gz QEMMTAUZQBWLCZ-UHFFFAOYSA-N 1 1 412.494 0.758 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184414 1078987362 /nfs/dbraw/zinc/98/73/62/1078987362.db2.gz QERHWGGLJHXFPQ-BZSNNMDCSA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184414 1078987357 /nfs/dbraw/zinc/98/73/57/1078987357.db2.gz QERHWGGLJHXFPQ-BZSNNMDCSA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184416 1078987343 /nfs/dbraw/zinc/98/73/43/1078987343.db2.gz QERHWGGLJHXFPQ-KURKYZTESA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184416 1078987336 /nfs/dbraw/zinc/98/73/36/1078987336.db2.gz QERHWGGLJHXFPQ-KURKYZTESA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184417 1078987443 /nfs/dbraw/zinc/98/74/43/1078987443.db2.gz QERHWGGLJHXFPQ-OKZBNKHCSA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000620184417 1078987433 /nfs/dbraw/zinc/98/74/33/1078987433.db2.gz QERHWGGLJHXFPQ-OKZBNKHCSA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000620184418 1078988121 /nfs/dbraw/zinc/98/81/21/1078988121.db2.gz QERHWGGLJHXFPQ-RCCFBDPRSA-N 1 1 420.554 0.953 20 0 HCADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000620184418 1078988119 /nfs/dbraw/zinc/98/81/19/1078988119.db2.gz QERHWGGLJHXFPQ-RCCFBDPRSA-N 1 1 420.554 0.953 20 0 HCADMO NS(=O)(=O)c1ccc(CCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000620184742 1078987484 /nfs/dbraw/zinc/98/74/84/1078987484.db2.gz GYEXFZHBHMAMIY-UHFFFAOYSA-N 1 1 422.551 0.423 20 0 HCADMO NS(=O)(=O)c1ccc(CCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000620184742 1078987479 /nfs/dbraw/zinc/98/74/79/1078987479.db2.gz GYEXFZHBHMAMIY-UHFFFAOYSA-N 1 1 422.551 0.423 20 0 HCADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000620189070 1078991355 /nfs/dbraw/zinc/99/13/55/1078991355.db2.gz RNUOXNJVLXTYHP-UHFFFAOYSA-N 1 1 424.567 0.701 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620189308 1078991065 /nfs/dbraw/zinc/99/10/65/1078991065.db2.gz GWWHFAQDRCNNPC-IBGZPJMESA-N 1 1 400.527 0.891 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620189309 1078991452 /nfs/dbraw/zinc/99/14/52/1078991452.db2.gz GWWHFAQDRCNNPC-LJQANCHMSA-N 1 1 400.527 0.891 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCCN2CC[NH+](C)CC2)cc1 ZINC000620189323 1078991972 /nfs/dbraw/zinc/99/19/72/1078991972.db2.gz JXYHGLXFIGKLSS-UHFFFAOYSA-N 1 1 410.540 0.311 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620190048 1078991194 /nfs/dbraw/zinc/99/11/94/1078991194.db2.gz HDWVIHJGLLOFQM-IBGZPJMESA-N 1 1 400.527 0.891 20 0 HCADMO CCN1CC[NH+](CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000620190049 1078991385 /nfs/dbraw/zinc/99/13/85/1078991385.db2.gz HDWVIHJGLLOFQM-LJQANCHMSA-N 1 1 400.527 0.891 20 0 HCADMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000620191246 1078991943 /nfs/dbraw/zinc/99/19/43/1078991943.db2.gz IYLFNZKJSQLJFS-UHFFFAOYSA-N 1 1 408.524 0.269 20 0 HCADMO C[C@H](CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)[NH+](C)C ZINC000620197805 1078992644 /nfs/dbraw/zinc/99/26/44/1078992644.db2.gz HMIZATYDWLASNT-DOMZBBRYSA-N 1 1 403.932 0.939 20 0 HCADMO C[C@H](CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl)[NH+](C)C 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421.461 0.634 20 0 HCADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000622399494 1079109299 /nfs/dbraw/zinc/10/92/99/1079109299.db2.gz VLIHKOKTXNPMKL-DLBZAZTESA-N 1 1 416.503 0.833 20 0 HCADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000622399495 1079109344 /nfs/dbraw/zinc/10/93/44/1079109344.db2.gz VLIHKOKTXNPMKL-IAGOWNOFSA-N 1 1 416.503 0.833 20 0 HCADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000622399496 1079109394 /nfs/dbraw/zinc/10/93/94/1079109394.db2.gz VLIHKOKTXNPMKL-IRXDYDNUSA-N 1 1 416.503 0.833 20 0 HCADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000622399497 1079109338 /nfs/dbraw/zinc/10/93/38/1079109338.db2.gz VLIHKOKTXNPMKL-SJORKVTESA-N 1 1 416.503 0.833 20 0 HCADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000622416375 1079110931 /nfs/dbraw/zinc/11/09/31/1079110931.db2.gz XDRRWOJQTHMXIZ-UHFFFAOYSA-N 1 1 402.904 0.558 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000622434211 1079111855 /nfs/dbraw/zinc/11/18/55/1079111855.db2.gz VRRRYIUZYSYYAP-UHFFFAOYSA-N 1 1 423.539 0.621 20 0 HCADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000622448334 1079112629 /nfs/dbraw/zinc/11/26/29/1079112629.db2.gz BTNMFEGQKSYGLF-UHFFFAOYSA-N 1 1 400.487 0.179 20 0 HCADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)NC3CCN(CC(F)F)CC3)CC2)CC1 ZINC000622460929 1079112005 /nfs/dbraw/zinc/11/20/05/1079112005.db2.gz LOOXPCFQWNQIKJ-UHFFFAOYSA-N 1 1 401.502 0.912 20 0 HCADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC000622546953 1079118667 /nfs/dbraw/zinc/11/86/67/1079118667.db2.gz TZJYFANRPICGIU-INIZCTEOSA-N 1 1 404.515 0.272 20 0 HCADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC000622546954 1079118642 /nfs/dbraw/zinc/11/86/42/1079118642.db2.gz TZJYFANRPICGIU-MRXNPFEDSA-N 1 1 404.515 0.272 20 0 HCADMO CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 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O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000622689629 1079125917 /nfs/dbraw/zinc/12/59/17/1079125917.db2.gz MJXIKRAACBCDKC-FQEVSTJZSA-N 1 1 403.523 0.885 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000622689629 1079125909 /nfs/dbraw/zinc/12/59/09/1079125909.db2.gz MJXIKRAACBCDKC-FQEVSTJZSA-N 1 1 403.523 0.885 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000622689630 1079125886 /nfs/dbraw/zinc/12/58/86/1079125886.db2.gz MJXIKRAACBCDKC-HXUWFJFHSA-N 1 1 403.523 0.885 20 0 HCADMO O=C(NCC1(N2CCOCC2)CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000622689630 1079125883 /nfs/dbraw/zinc/12/58/83/1079125883.db2.gz MJXIKRAACBCDKC-HXUWFJFHSA-N 1 1 403.523 0.885 20 0 HCADMO O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000622689660 1079126013 /nfs/dbraw/zinc/12/60/13/1079126013.db2.gz NRUFSNVXXLBVHF-UHFFFAOYSA-N 1 1 420.901 0.991 20 0 HCADMO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000622689858 1079126507 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422.530 0.675 20 0 HCADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000622841447 1079134854 /nfs/dbraw/zinc/13/48/54/1079134854.db2.gz HRRDJLYKEYIDMH-QAPCUYQASA-N 1 1 400.479 0.949 20 0 HCADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000622841447 1079134850 /nfs/dbraw/zinc/13/48/50/1079134850.db2.gz HRRDJLYKEYIDMH-QAPCUYQASA-N 1 1 400.479 0.949 20 0 HCADMO Cn1c(N)c(C(=O)C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000622841448 1079134753 /nfs/dbraw/zinc/13/47/53/1079134753.db2.gz HRRDJLYKEYIDMH-YJBOKZPZSA-N 1 1 400.479 0.949 20 0 HCADMO Cn1c(N)c(C(=O)C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)c(=O)n(C)c1=O ZINC000622841448 1079134747 /nfs/dbraw/zinc/13/47/47/1079134747.db2.gz HRRDJLYKEYIDMH-YJBOKZPZSA-N 1 1 400.479 0.949 20 0 HCADMO COc1ccc(CCN2C(=O)C[C@H]([NH+]3CCC(NC(C)=O)CC3)C2=O)cc1OC ZINC000622853272 1079136394 /nfs/dbraw/zinc/13/63/94/1079136394.db2.gz LMMRZZJQRROKPN-KRWDZBQOSA-N 1 1 403.479 0.974 20 0 HCADMO 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CCOc1ccccc1C(=O)NCC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000623205038 1079197411 /nfs/dbraw/zinc/19/74/11/1079197411.db2.gz BBUOXGCERLWLNS-QGZVFWFLSA-N 1 1 402.495 0.756 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205069 1079197535 /nfs/dbraw/zinc/19/75/35/1079197535.db2.gz CPVXWAYZKKJHQO-GOSISDBHSA-N 1 1 420.535 0.682 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000623205070 1079197574 /nfs/dbraw/zinc/19/75/74/1079197574.db2.gz CPVXWAYZKKJHQO-SFHVURJKSA-N 1 1 420.535 0.682 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205085 1079197097 /nfs/dbraw/zinc/19/70/97/1079197097.db2.gz DAOJTGPQYUBAHF-KRWDZBQOSA-N 1 1 413.478 0.433 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000623205086 1079197225 /nfs/dbraw/zinc/19/72/25/1079197225.db2.gz DAOJTGPQYUBAHF-QGZVFWFLSA-N 1 1 413.478 0.433 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1OC ZINC000623205127 1079195455 /nfs/dbraw/zinc/19/54/55/1079195455.db2.gz FPIRCNJURKKKSV-HNNXBMFYSA-N 1 1 424.523 0.158 20 0 HCADMO CNS(=O)(=O)c1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1OC ZINC000623205128 1079195701 /nfs/dbraw/zinc/19/57/01/1079195701.db2.gz FPIRCNJURKKKSV-OAHLLOKOSA-N 1 1 424.523 0.158 20 0 HCADMO CCn1c(=O)[nH]c2cc(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205297 1079198994 /nfs/dbraw/zinc/19/89/94/1079198994.db2.gz KFQVTJWORIVUAZ-KRWDZBQOSA-N 1 1 413.478 0.676 20 0 HCADMO CCn1c(=O)[nH]c2cc(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc2c1=O ZINC000623205298 1079199086 /nfs/dbraw/zinc/19/90/86/1079199086.db2.gz KFQVTJWORIVUAZ-QGZVFWFLSA-N 1 1 413.478 0.676 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205325 1079199009 /nfs/dbraw/zinc/19/90/09/1079199009.db2.gz KZRQTUYWTAXFAK-GOSISDBHSA-N 1 1 420.535 0.781 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000623205326 1079198867 /nfs/dbraw/zinc/19/88/67/1079198867.db2.gz KZRQTUYWTAXFAK-SFHVURJKSA-N 1 1 420.535 0.781 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205333 1079199220 /nfs/dbraw/zinc/19/92/20/1079199220.db2.gz LELJVRSMHRZDNG-BBWFWOEESA-N 1 1 404.511 0.492 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205334 1079199145 /nfs/dbraw/zinc/19/91/45/1079199145.db2.gz LELJVRSMHRZDNG-IXDOHACOSA-N 1 1 404.511 0.492 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000623205335 1079198910 /nfs/dbraw/zinc/19/89/10/1079198910.db2.gz LELJVRSMHRZDNG-ULQDDVLXSA-N 1 1 404.511 0.492 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000623205336 1079199051 /nfs/dbraw/zinc/19/90/51/1079199051.db2.gz LELJVRSMHRZDNG-ZACQAIPSSA-N 1 1 404.511 0.492 20 0 HCADMO COc1ccc(C(=O)NCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC000623205361 1079199295 /nfs/dbraw/zinc/19/92/95/1079199295.db2.gz LTNDEHUJXYJVHY-INIZCTEOSA-N 1 1 418.494 0.374 20 0 HCADMO COc1ccc(C(=O)NCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1OC ZINC000623205362 1079199181 /nfs/dbraw/zinc/19/91/81/1079199181.db2.gz LTNDEHUJXYJVHY-MRXNPFEDSA-N 1 1 418.494 0.374 20 0 HCADMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000623205379 1079199028 /nfs/dbraw/zinc/19/90/28/1079199028.db2.gz MOKYTIUKBYLNTA-GOSISDBHSA-N 1 1 422.551 0.928 20 0 HCADMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000623205380 1079198818 /nfs/dbraw/zinc/19/88/18/1079198818.db2.gz MOKYTIUKBYLNTA-SFHVURJKSA-N 1 1 422.551 0.928 20 0 HCADMO CCNS(=O)(=O)c1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205385 1079198037 /nfs/dbraw/zinc/19/80/37/1079198037.db2.gz MTFFRVYPVZXJQP-KRWDZBQOSA-N 1 1 408.524 0.539 20 0 HCADMO CCNS(=O)(=O)c1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205386 1079197915 /nfs/dbraw/zinc/19/79/15/1079197915.db2.gz MTFFRVYPVZXJQP-QGZVFWFLSA-N 1 1 408.524 0.539 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205393 1079198212 /nfs/dbraw/zinc/19/82/12/1079198212.db2.gz NBXLFLAUYXMAMU-KRWDZBQOSA-N 1 1 400.479 0.743 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCN2c3ccccc3OCC2=O)CC1 ZINC000623205394 1079198233 /nfs/dbraw/zinc/19/82/33/1079198233.db2.gz NBXLFLAUYXMAMU-QGZVFWFLSA-N 1 1 400.479 0.743 20 0 HCADMO C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205397 1079198424 /nfs/dbraw/zinc/19/84/24/1079198424.db2.gz NFTRDSBVKNGNCH-PBHICJAKSA-N 1 1 400.479 0.741 20 0 HCADMO C[C@H]1Oc2ccccc2N(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205398 1079197956 /nfs/dbraw/zinc/19/79/56/1079197956.db2.gz NFTRDSBVKNGNCH-RHSMWYFYSA-N 1 1 400.479 0.741 20 0 HCADMO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000623205399 1079198189 /nfs/dbraw/zinc/19/81/89/1079198189.db2.gz NFTRDSBVKNGNCH-WMLDXEAASA-N 1 1 400.479 0.741 20 0 HCADMO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000623205400 1079199193 /nfs/dbraw/zinc/19/91/93/1079199193.db2.gz NFTRDSBVKNGNCH-YOEHRIQHSA-N 1 1 400.479 0.741 20 0 HCADMO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ccc21 ZINC000623205527 1079198783 /nfs/dbraw/zinc/19/87/83/1079198783.db2.gz RTUDJTIOYIMREM-GOSISDBHSA-N 1 1 420.535 0.563 20 0 HCADMO CS(=O)(=O)N1CCc2cc(C(=O)N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ccc21 ZINC000623205528 1079197991 /nfs/dbraw/zinc/19/79/91/1079197991.db2.gz RTUDJTIOYIMREM-SFHVURJKSA-N 1 1 420.535 0.563 20 0 HCADMO CCOc1ccc(C(=O)NCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205533 1079198257 /nfs/dbraw/zinc/19/82/57/1079198257.db2.gz SAKMOYZSEFCKKW-GOSISDBHSA-N 1 1 402.495 0.756 20 0 HCADMO CCOc1ccc(C(=O)NCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205534 1079198159 /nfs/dbraw/zinc/19/81/59/1079198159.db2.gz SAKMOYZSEFCKKW-SFHVURJKSA-N 1 1 402.495 0.756 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205553 1079198309 /nfs/dbraw/zinc/19/83/09/1079198309.db2.gz SOVJEIZHVIKFNI-GOSISDBHSA-N 1 1 420.535 0.682 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000623205554 1079198482 /nfs/dbraw/zinc/19/84/82/1079198482.db2.gz SOVJEIZHVIKFNI-SFHVURJKSA-N 1 1 420.535 0.682 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000623205765 1079198368 /nfs/dbraw/zinc/19/83/68/1079198368.db2.gz XGCVCBMLLWECNM-GOSISDBHSA-N 1 1 422.551 0.468 20 0 HCADMO CNS(=O)(=O)c1ccc(CCC(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000623205766 1079198119 /nfs/dbraw/zinc/19/81/19/1079198119.db2.gz XGCVCBMLLWECNM-SFHVURJKSA-N 1 1 422.551 0.468 20 0 HCADMO 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1 415.494 0.140 20 0 HCADMO CCN(C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)[C@@H]1CCNC1=O ZINC000669640078 1073411731 /nfs/dbraw/zinc/41/17/31/1073411731.db2.gz MVWOZFHFRVXPBV-QGZVFWFLSA-N 1 1 415.494 0.140 20 0 HCADMO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000669640826 1073416570 /nfs/dbraw/zinc/41/65/70/1073416570.db2.gz YVAXLNALGPLTAU-HNNXBMFYSA-N 1 1 424.567 0.698 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669643668 1073430753 /nfs/dbraw/zinc/43/07/53/1073430753.db2.gz PXCPAWXNUTVLLD-UHFFFAOYSA-N 1 1 411.572 0.692 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669643765 1073430007 /nfs/dbraw/zinc/43/00/07/1073430007.db2.gz YCCQWXDJCJLDDY-HKUYNNGSSA-N 1 1 423.583 0.826 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669643766 1073430103 /nfs/dbraw/zinc/43/01/03/1073430103.db2.gz YCCQWXDJCJLDDY-IEBWSBKVSA-N 1 1 423.583 0.826 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669643767 1073429920 /nfs/dbraw/zinc/42/99/20/1073429920.db2.gz YCCQWXDJCJLDDY-MJGOQNOKSA-N 1 1 423.583 0.826 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669643768 1073430084 /nfs/dbraw/zinc/43/00/84/1073430084.db2.gz YCCQWXDJCJLDDY-PKOBYXMFSA-N 1 1 423.583 0.826 20 0 HCADMO NS(=O)(=O)CCN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000669644994 1073431969 /nfs/dbraw/zinc/43/19/69/1073431969.db2.gz CCIDTCDIPGVLBR-IBGZPJMESA-N 1 1 423.583 0.514 20 0 HCADMO NS(=O)(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000669644995 1073432197 /nfs/dbraw/zinc/43/21/97/1073432197.db2.gz CCIDTCDIPGVLBR-LJQANCHMSA-N 1 1 423.583 0.514 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649987 1073440296 /nfs/dbraw/zinc/44/02/96/1073440296.db2.gz CJUWMFVISLRARO-HLLBOEOZSA-N 1 1 401.577 0.172 20 0 HCADMO 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C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649990 1073440129 /nfs/dbraw/zinc/44/01/29/1073440129.db2.gz CJUWMFVISLRARO-ZOBUZTSGSA-N 1 1 401.577 0.172 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)C2)CC1 ZINC000669649990 1073440120 /nfs/dbraw/zinc/44/01/20/1073440120.db2.gz CJUWMFVISLRARO-ZOBUZTSGSA-N 1 1 401.577 0.172 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650037 1073437986 /nfs/dbraw/zinc/43/79/86/1073437986.db2.gz OSOOIUGSLAYCQJ-KRWDZBQOSA-N 1 1 409.556 0.443 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650037 1073437982 /nfs/dbraw/zinc/43/79/82/1073437982.db2.gz OSOOIUGSLAYCQJ-KRWDZBQOSA-N 1 1 409.556 0.443 20 0 HCADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cccc(CS(N)(=O)=O)c3)C2)CC1 ZINC000669650038 1073438148 /nfs/dbraw/zinc/43/81/48/1073438148.db2.gz OSOOIUGSLAYCQJ-QGZVFWFLSA-N 1 1 409.556 0.443 20 0 HCADMO 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407.515 0.369 20 0 HCADMO C[C@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC(=O)N1C ZINC000669717883 1073839419 /nfs/dbraw/zinc/83/94/19/1073839419.db2.gz ZZUCIAXVEWSEOH-INIZCTEOSA-N 1 1 416.526 0.591 20 0 HCADMO C[C@@H]1CN(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC(=O)N1C ZINC000669717884 1073827726 /nfs/dbraw/zinc/82/77/26/1073827726.db2.gz ZZUCIAXVEWSEOH-MRXNPFEDSA-N 1 1 416.526 0.591 20 0 HCADMO CNC(=O)CNC(=O)c1cccc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)c1 ZINC000669729781 1074049523 /nfs/dbraw/zinc/04/95/23/1074049523.db2.gz NTFCWWYPDDWTMR-UHFFFAOYSA-N 1 1 404.515 0.310 20 0 HCADMO CNC(=O)CNC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000669730071 1074045948 /nfs/dbraw/zinc/04/59/48/1074045948.db2.gz AVMXMQAILUTMIF-HNNXBMFYSA-N 1 1 403.483 0.348 20 0 HCADMO CNC(=O)CNC(=O)c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000669730072 1074046050 /nfs/dbraw/zinc/04/60/50/1074046050.db2.gz AVMXMQAILUTMIF-OAHLLOKOSA-N 1 1 403.483 0.348 20 0 HCADMO 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ZINC000669742443 1074220620 /nfs/dbraw/zinc/22/06/20/1074220620.db2.gz KMNUAGAXDBJRAN-HNNXBMFYSA-N 1 1 403.508 0.823 20 0 HCADMO Cc1c(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000669742444 1074220541 /nfs/dbraw/zinc/22/05/41/1074220541.db2.gz KMNUAGAXDBJRAN-OAHLLOKOSA-N 1 1 403.508 0.823 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC(C4CCOCC4)C3)cc2)CC1 ZINC000669746271 1074286967 /nfs/dbraw/zinc/28/69/67/1074286967.db2.gz WXPIFDKYVDVNEG-UHFFFAOYSA-N 1 1 414.506 0.898 20 0 HCADMO CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000669746427 1074286014 /nfs/dbraw/zinc/28/60/14/1074286014.db2.gz XMWBUDFYIBQVDM-UHFFFAOYSA-N 1 1 420.510 0.260 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)cc2)CC1 ZINC000669751867 1074376980 /nfs/dbraw/zinc/37/69/80/1074376980.db2.gz PPZOAHFBWPGDEB-HNNXBMFYSA-N 1 1 415.494 0.092 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)cc2)CC1 ZINC000669751868 1074376824 /nfs/dbraw/zinc/37/68/24/1074376824.db2.gz PPZOAHFBWPGDEB-OAHLLOKOSA-N 1 1 415.494 0.092 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000669752332 1074370876 /nfs/dbraw/zinc/37/08/76/1074370876.db2.gz BBDPFCUHAIYBKN-GXTWGEPZSA-N 1 1 406.468 0.040 20 0 HCADMO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000669752333 1074370669 /nfs/dbraw/zinc/37/06/69/1074370669.db2.gz BBDPFCUHAIYBKN-JSGCOSHPSA-N 1 1 406.468 0.040 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000669752334 1074370706 /nfs/dbraw/zinc/37/07/06/1074370706.db2.gz BBDPFCUHAIYBKN-OCCSQVGLSA-N 1 1 406.468 0.040 20 0 HCADMO CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000669752335 1074370819 /nfs/dbraw/zinc/37/08/19/1074370819.db2.gz BBDPFCUHAIYBKN-TZMCWYRMSA-N 1 1 406.468 0.040 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NC2(C(F)F)CC2)cc1 ZINC000669752666 1074366758 /nfs/dbraw/zinc/36/67/58/1074366758.db2.gz UHAJQMYFQNGERF-UHFFFAOYSA-N 1 1 423.464 0.749 20 0 HCADMO CC(C)[C@@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000669758897 1074447390 /nfs/dbraw/zinc/44/73/90/1074447390.db2.gz BEPJLMSREXTPTQ-GOSISDBHSA-N 1 1 411.572 0.546 20 0 HCADMO CC(C)[C@H](CNC(=O)NCc1cccc(CS(N)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000669758898 1074447352 /nfs/dbraw/zinc/44/73/52/1074447352.db2.gz BEPJLMSREXTPTQ-SFHVURJKSA-N 1 1 411.572 0.546 20 0 HCADMO CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CC1 ZINC000669759023 1074445274 /nfs/dbraw/zinc/44/52/74/1074445274.db2.gz YFVRORWKXJUIIQ-UHFFFAOYSA-N 1 1 415.604 0.612 20 0 HCADMO Cc1c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)nnn1CCOc1ccc(F)cc1 ZINC000669765075 1074504962 /nfs/dbraw/zinc/50/49/62/1074504962.db2.gz MNSLDHCLHRELQI-UHFFFAOYSA-N 1 1 418.473 0.651 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)C1 ZINC000669771093 1074533418 /nfs/dbraw/zinc/53/34/18/1074533418.db2.gz LIUTVVBIZCOVPS-GOSISDBHSA-N 1 1 409.556 0.397 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)C1 ZINC000669771094 1074533464 /nfs/dbraw/zinc/53/34/64/1074533464.db2.gz LIUTVVBIZCOVPS-SFHVURJKSA-N 1 1 409.556 0.397 20 0 HCADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771438 1074535643 /nfs/dbraw/zinc/53/56/43/1074535643.db2.gz WSNVVLKWMYKCDQ-UHFFFAOYSA-N 1 1 411.572 0.643 20 0 HCADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771438 1074535636 /nfs/dbraw/zinc/53/56/36/1074535636.db2.gz WSNVVLKWMYKCDQ-UHFFFAOYSA-N 1 1 411.572 0.643 20 0 HCADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669771518 1074535099 /nfs/dbraw/zinc/53/50/99/1074535099.db2.gz ZBYLUYPJJHZCOZ-HNNXBMFYSA-N 1 1 410.540 0.870 20 0 HCADMO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669773326 1074545532 /nfs/dbraw/zinc/54/55/32/1074545532.db2.gz HJTYPBTYJKYEKD-IBGZPJMESA-N 1 1 423.583 0.785 20 0 HCADMO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669773326 1074545527 /nfs/dbraw/zinc/54/55/27/1074545527.db2.gz HJTYPBTYJKYEKD-IBGZPJMESA-N 1 1 423.583 0.785 20 0 HCADMO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669773327 1074545484 /nfs/dbraw/zinc/54/54/84/1074545484.db2.gz HJTYPBTYJKYEKD-LJQANCHMSA-N 1 1 423.583 0.785 20 0 HCADMO CN(C(=O)NCc1cccc(CS(N)(=O)=O)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669773327 1074545478 /nfs/dbraw/zinc/54/54/78/1074545478.db2.gz HJTYPBTYJKYEKD-LJQANCHMSA-N 1 1 423.583 0.785 20 0 HCADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773739 1074557317 /nfs/dbraw/zinc/55/73/17/1074557317.db2.gz VTGKPSLTANJLCQ-IBGZPJMESA-N 1 1 423.583 0.787 20 0 HCADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773740 1074557384 /nfs/dbraw/zinc/55/73/84/1074557384.db2.gz VTGKPSLTANJLCQ-LJQANCHMSA-N 1 1 423.583 0.787 20 0 HCADMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669773904 1074552242 /nfs/dbraw/zinc/55/22/42/1074552242.db2.gz BDHIDIJSORQQPC-UHFFFAOYSA-N 1 1 411.572 0.690 20 0 HCADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669773961 1074555094 /nfs/dbraw/zinc/55/50/94/1074555094.db2.gz FJECYTZDONKCJG-UHFFFAOYSA-N 1 1 412.556 0.975 20 0 HCADMO NS(=O)(=O)Cc1cccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000669774129 1074550766 /nfs/dbraw/zinc/55/07/66/1074550766.db2.gz QACJNIIZDMOKHM-GOSISDBHSA-N 1 1 410.540 0.871 20 0 HCADMO NS(=O)(=O)Cc1cccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000669774130 1074551162 /nfs/dbraw/zinc/55/11/62/1074551162.db2.gz QACJNIIZDMOKHM-SFHVURJKSA-N 1 1 410.540 0.871 20 0 HCADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000669774270 1074550138 /nfs/dbraw/zinc/55/01/38/1074550138.db2.gz ZBYLUYPJJHZCOZ-OAHLLOKOSA-N 1 1 410.540 0.870 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)C1 ZINC000669790765 1074703590 /nfs/dbraw/zinc/70/35/90/1074703590.db2.gz WLRVNEIEWBSTSZ-IKGGRYGDSA-N 1 1 401.577 0.126 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)CC2)C1 ZINC000669790766 1074703492 /nfs/dbraw/zinc/70/34/92/1074703492.db2.gz WLRVNEIEWBSTSZ-IXDOHACOSA-N 1 1 401.577 0.126 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)C1 ZINC000669790767 1074703611 /nfs/dbraw/zinc/70/36/11/1074703611.db2.gz WLRVNEIEWBSTSZ-ULQDDVLXSA-N 1 1 401.577 0.126 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)CC2)C1 ZINC000669790768 1074703535 /nfs/dbraw/zinc/70/35/35/1074703535.db2.gz WLRVNEIEWBSTSZ-YESZJQIVSA-N 1 1 401.577 0.126 20 0 HCADMO CN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669791316 1074706400 /nfs/dbraw/zinc/70/64/00/1074706400.db2.gz IEXYIJSWYRLCCA-BPQIPLTHSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669791316 1074706388 /nfs/dbraw/zinc/70/63/88/1074706388.db2.gz IEXYIJSWYRLCCA-BPQIPLTHSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669791317 1074706107 /nfs/dbraw/zinc/70/61/07/1074706107.db2.gz IEXYIJSWYRLCCA-NJAFHUGGSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669791317 1074706089 /nfs/dbraw/zinc/70/60/89/1074706089.db2.gz IEXYIJSWYRLCCA-NJAFHUGGSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669791318 1074706214 /nfs/dbraw/zinc/70/62/14/1074706214.db2.gz IEXYIJSWYRLCCA-RYQLBKOJSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669791318 1074706204 /nfs/dbraw/zinc/70/62/04/1074706204.db2.gz IEXYIJSWYRLCCA-RYQLBKOJSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000669791319 1074706047 /nfs/dbraw/zinc/70/60/47/1074706047.db2.gz IEXYIJSWYRLCCA-SZMVWBNQSA-N 1 1 415.604 0.514 20 0 HCADMO CN(C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000669791319 1074706036 /nfs/dbraw/zinc/70/60/36/1074706036.db2.gz IEXYIJSWYRLCCA-SZMVWBNQSA-N 1 1 415.604 0.514 20 0 HCADMO CCN1CCO[C@H](C[NH+]2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798774 1074748022 /nfs/dbraw/zinc/74/80/22/1074748022.db2.gz FXALIQBAJVFJHV-INIZCTEOSA-N 1 1 417.514 0.181 20 0 HCADMO CC[N@H+]1CCO[C@H](CN2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798774 1074748015 /nfs/dbraw/zinc/74/80/15/1074748015.db2.gz FXALIQBAJVFJHV-INIZCTEOSA-N 1 1 417.514 0.181 20 0 HCADMO CC[N@@H+]1CCO[C@H](CN2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798774 1074748005 /nfs/dbraw/zinc/74/80/05/1074748005.db2.gz FXALIQBAJVFJHV-INIZCTEOSA-N 1 1 417.514 0.181 20 0 HCADMO CCN1CCO[C@@H](C[NH+]2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798775 1074747897 /nfs/dbraw/zinc/74/78/97/1074747897.db2.gz FXALIQBAJVFJHV-MRXNPFEDSA-N 1 1 417.514 0.181 20 0 HCADMO CC[N@H+]1CCO[C@@H](CN2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798775 1074747887 /nfs/dbraw/zinc/74/78/87/1074747887.db2.gz FXALIQBAJVFJHV-MRXNPFEDSA-N 1 1 417.514 0.181 20 0 HCADMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3nnc(CNC(=O)c4ccco4)n3C)CC2)C1 ZINC000669798775 1074747878 /nfs/dbraw/zinc/74/78/78/1074747878.db2.gz FXALIQBAJVFJHV-MRXNPFEDSA-N 1 1 417.514 0.181 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccnc3c2nnn3C)cc1 ZINC000669827908 1075358963 /nfs/dbraw/zinc/35/89/63/1075358963.db2.gz ZGRHEHNRHAFGKY-UHFFFAOYSA-N 1 1 422.493 0.826 20 0 HCADMO CS(=O)(=O)NC1CC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000669835448 1075413302 /nfs/dbraw/zinc/41/33/02/1075413302.db2.gz PYDBIBOFCVYNJX-GPANFISMSA-N 1 1 409.512 0.338 20 0 HCADMO CS(=O)(=O)NC1CC(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000669835448 1075413298 /nfs/dbraw/zinc/41/32/98/1075413298.db2.gz PYDBIBOFCVYNJX-GPANFISMSA-N 1 1 409.512 0.338 20 0 HCADMO CS(=O)(=O)NC1CC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000669835449 1075409124 /nfs/dbraw/zinc/40/91/24/1075409124.db2.gz PYDBIBOFCVYNJX-UYSNPLJNSA-N 1 1 409.512 0.338 20 0 HCADMO CS(=O)(=O)NC1CC(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000669835449 1075409120 /nfs/dbraw/zinc/40/91/20/1075409120.db2.gz PYDBIBOFCVYNJX-UYSNPLJNSA-N 1 1 409.512 0.338 20 0 HCADMO C[C@@H](CNC(=O)NC1CC(NS(C)(=O)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669852869 1075532236 /nfs/dbraw/zinc/53/22/36/1075532236.db2.gz CGTPXRQSZUVYMI-GTPINHCMSA-N 1 1 409.556 0.577 20 0 HCADMO C[C@H](CNC(=O)NC1CC(NS(C)(=O)=O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000669852870 1075532276 /nfs/dbraw/zinc/53/22/76/1075532276.db2.gz CGTPXRQSZUVYMI-KLAILNCOSA-N 1 1 409.556 0.577 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)NC3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000669854721 1075535858 /nfs/dbraw/zinc/53/58/58/1075535858.db2.gz BVQWQQMKJZSGFI-UHFFFAOYSA-N 1 1 423.583 0.704 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000669854754 1075535600 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O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670544116 1078711780 /nfs/dbraw/zinc/71/17/80/1078711780.db2.gz DJACHXWTBJYSAQ-MSOLQXFVSA-N 1 1 404.511 0.856 20 0 HCADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000670544117 1078711677 /nfs/dbraw/zinc/71/16/77/1078711677.db2.gz DJACHXWTBJYSAQ-QZTJIDSGSA-N 1 1 404.511 0.856 20 0 HCADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670544118 1078711830 /nfs/dbraw/zinc/71/18/30/1078711830.db2.gz DJACHXWTBJYSAQ-ROUUACIJSA-N 1 1 404.511 0.856 20 0 HCADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000670544119 1078711695 /nfs/dbraw/zinc/71/16/95/1078711695.db2.gz DJACHXWTBJYSAQ-ZWKOTPCHSA-N 1 1 404.511 0.856 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000670544612 1078718112 /nfs/dbraw/zinc/71/81/12/1078718112.db2.gz FYUYUKGMQQQFKF-KRWDZBQOSA-N 1 1 420.510 0.534 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000670544613 1078718027 /nfs/dbraw/zinc/71/80/27/1078718027.db2.gz FYUYUKGMQQQFKF-QGZVFWFLSA-N 1 1 420.510 0.534 20 0 HCADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000670544762 1078717476 /nfs/dbraw/zinc/71/74/76/1078717476.db2.gz YRSOFMAHWFEGCU-GFCCVEGCSA-N 1 1 402.373 0.723 20 0 HCADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000670544763 1078717544 /nfs/dbraw/zinc/71/75/44/1078717544.db2.gz YRSOFMAHWFEGCU-LBPRGKRZSA-N 1 1 402.373 0.723 20 0 HCADMO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000670544852 1078718091 /nfs/dbraw/zinc/71/80/91/1078718091.db2.gz QYFCKMZCEQAARU-KRWDZBQOSA-N 1 1 412.494 0.980 20 0 HCADMO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000670544853 1078718056 /nfs/dbraw/zinc/71/80/56/1078718056.db2.gz QYFCKMZCEQAARU-QGZVFWFLSA-N 1 1 412.494 0.980 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)N3CCCC3)CC2)C1 ZINC000670544862 1078718000 /nfs/dbraw/zinc/71/80/00/1078718000.db2.gz UULRAPIIMWUEDY-MOPGFXCFSA-N 1 1 417.554 0.771 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2)C1 ZINC000670544865 1078717949 /nfs/dbraw/zinc/71/79/49/1078717949.db2.gz UULRAPIIMWUEDY-RTBURBONSA-N 1 1 417.554 0.771 20 0 HCADMO C[C@H](NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000670547345 1078728946 /nfs/dbraw/zinc/72/89/46/1078728946.db2.gz DTZCPXCZBDHYSM-INIZCTEOSA-N 1 1 401.511 0.662 20 0 HCADMO C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000670547346 1078729005 /nfs/dbraw/zinc/72/90/05/1078729005.db2.gz DTZCPXCZBDHYSM-MRXNPFEDSA-N 1 1 401.511 0.662 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000670549409 1078734615 /nfs/dbraw/zinc/73/46/15/1078734615.db2.gz QIAYLTNCRUORBC-INIZCTEOSA-N 1 1 409.490 0.963 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000670549410 1078734639 /nfs/dbraw/zinc/73/46/39/1078734639.db2.gz QIAYLTNCRUORBC-MRXNPFEDSA-N 1 1 409.490 0.963 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000670605516 1078957190 /nfs/dbraw/zinc/95/71/90/1078957190.db2.gz RAMGOALIXCDJME-HKUYNNGSSA-N 1 1 415.494 0.748 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000670605517 1078957388 /nfs/dbraw/zinc/95/73/88/1078957388.db2.gz RAMGOALIXCDJME-IEBWSBKVSA-N 1 1 415.494 0.748 20 0 HCADMO COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000670605518 1078957291 /nfs/dbraw/zinc/95/72/91/1078957291.db2.gz RAMGOALIXCDJME-MJGOQNOKSA-N 1 1 415.494 0.748 20 0 HCADMO COc1ccccc1[C@H](CNC(=O)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1)[NH+](C)C ZINC000670605519 1078957485 /nfs/dbraw/zinc/95/74/85/1078957485.db2.gz RAMGOALIXCDJME-PKOBYXMFSA-N 1 1 415.494 0.748 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670623474 1079025448 /nfs/dbraw/zinc/02/54/48/1079025448.db2.gz CJTVCEXYVPAIGH-LEWJYISDSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670623474 1079025440 /nfs/dbraw/zinc/02/54/40/1079025440.db2.gz CJTVCEXYVPAIGH-LEWJYISDSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670623475 1079025277 /nfs/dbraw/zinc/02/52/77/1079025277.db2.gz CJTVCEXYVPAIGH-NHCUHLMSSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670623475 1079025268 /nfs/dbraw/zinc/02/52/68/1079025268.db2.gz CJTVCEXYVPAIGH-NHCUHLMSSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670623476 1079026025 /nfs/dbraw/zinc/02/60/25/1079026025.db2.gz CJTVCEXYVPAIGH-RTWAWAEBSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670623476 1079026017 /nfs/dbraw/zinc/02/60/17/1079026017.db2.gz CJTVCEXYVPAIGH-RTWAWAEBSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670623477 1079025927 /nfs/dbraw/zinc/02/59/27/1079025927.db2.gz CJTVCEXYVPAIGH-SFTDATJTSA-N 1 1 413.566 0.663 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670623477 1079025920 /nfs/dbraw/zinc/02/59/20/1079025920.db2.gz CJTVCEXYVPAIGH-SFTDATJTSA-N 1 1 413.566 0.663 20 0 HCADMO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623484 1079025704 /nfs/dbraw/zinc/02/57/04/1079025704.db2.gz FABLAIQRMGKRLC-NRFANRHFSA-N 1 1 415.582 0.911 20 0 HCADMO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000670623485 1079025963 /nfs/dbraw/zinc/02/59/63/1079025963.db2.gz FABLAIQRMGKRLC-OAQYLSRUSA-N 1 1 415.582 0.911 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000670623493 1079025874 /nfs/dbraw/zinc/02/58/74/1079025874.db2.gz GAHZNQLMXQCYGY-NRFANRHFSA-N 1 1 413.566 0.521 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000670623493 1079025868 /nfs/dbraw/zinc/02/58/68/1079025868.db2.gz GAHZNQLMXQCYGY-NRFANRHFSA-N 1 1 413.566 0.521 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000670623494 1079025820 /nfs/dbraw/zinc/02/58/20/1079025820.db2.gz GAHZNQLMXQCYGY-OAQYLSRUSA-N 1 1 413.566 0.521 20 0 HCADMO O=C(NCCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000670623494 1079025815 /nfs/dbraw/zinc/02/58/15/1079025815.db2.gz GAHZNQLMXQCYGY-OAQYLSRUSA-N 1 1 413.566 0.521 20 0 HCADMO CC[N@H+]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000670623588 1079031286 /nfs/dbraw/zinc/03/12/86/1079031286.db2.gz APIZJXYSZQFYCC-UHFFFAOYSA-N 1 1 401.555 0.475 20 0 HCADMO CC[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000670623588 1079031276 /nfs/dbraw/zinc/03/12/76/1079031276.db2.gz APIZJXYSZQFYCC-UHFFFAOYSA-N 1 1 401.555 0.475 20 0 HCADMO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000670623591 1079031246 /nfs/dbraw/zinc/03/12/46/1079031246.db2.gz AYEBRGBKHPVANM-NRFANRHFSA-N 1 1 415.582 0.909 20 0 HCADMO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000670623592 1079031386 /nfs/dbraw/zinc/03/13/86/1079031386.db2.gz AYEBRGBKHPVANM-OAQYLSRUSA-N 1 1 415.582 0.909 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623609 1079031230 /nfs/dbraw/zinc/03/12/30/1079031230.db2.gz DHJWHZJAQVXMSJ-AZUAARDMSA-N 1 1 413.566 0.662 20 0 HCADMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000670623609 1079031222 /nfs/dbraw/zinc/03/12/22/1079031222.db2.gz DHJWHZJAQVXMSJ-AZUAARDMSA-N 1 1 413.566 0.662 20 0 HCADMO C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000670623610 1079031196 /nfs/dbraw/zinc/03/11/96/1079031196.db2.gz DHJWHZJAQVXMSJ-ICSRJNTNSA-N 1 1 413.566 0.662 20 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IMYVDEBCPODBAU-SFHVURJKSA-N 1 1 402.495 0.328 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)N(CCO)CC(C)(C)C)cc2)CC1 ZINC000670889068 1078839189 /nfs/dbraw/zinc/83/91/89/1078839189.db2.gz LWHBWIQBYTWDQN-UHFFFAOYSA-N 1 1 418.538 0.557 20 0 HCADMO C[C@H]1COCCCN1C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889070 1078839261 /nfs/dbraw/zinc/83/92/61/1078839261.db2.gz LXZAOMABGQVGNG-INIZCTEOSA-N 1 1 402.495 0.328 20 0 HCADMO C[C@@H]1COCCCN1C(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889071 1078839209 /nfs/dbraw/zinc/83/92/09/1078839209.db2.gz LXZAOMABGQVGNG-MRXNPFEDSA-N 1 1 402.495 0.328 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ncn1 ZINC000670889075 1078839250 /nfs/dbraw/zinc/83/92/50/1078839250.db2.gz MVSXCSDAHCNZAA-UHFFFAOYSA-N 1 1 410.478 0.105 20 0 HCADMO CCc1ccnc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000670889096 1078839236 /nfs/dbraw/zinc/83/92/36/1078839236.db2.gz PWCBEJHCFOWHJY-UHFFFAOYSA-N 1 1 423.517 0.964 20 0 HCADMO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889102 1078839231 /nfs/dbraw/zinc/83/92/31/1078839231.db2.gz QKZPOUXRLMJHDX-AEFFLSMTSA-N 1 1 416.522 0.622 20 0 HCADMO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889103 1078839294 /nfs/dbraw/zinc/83/92/94/1078839294.db2.gz QKZPOUXRLMJHDX-FUHWJXTLSA-N 1 1 416.522 0.622 20 0 HCADMO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889104 1078839272 /nfs/dbraw/zinc/83/92/72/1078839272.db2.gz QKZPOUXRLMJHDX-SJLPKXTDSA-N 1 1 416.522 0.622 20 0 HCADMO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000670889105 1078839241 /nfs/dbraw/zinc/83/92/41/1078839241.db2.gz QKZPOUXRLMJHDX-WMZOPIPTSA-N 1 1 416.522 0.622 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)cc2)CC1 ZINC000670889111 1078839225 /nfs/dbraw/zinc/83/92/25/1078839225.db2.gz RYZIAUKPRBKZGJ-KRWDZBQOSA-N 1 1 402.495 0.233 20 0 HCADMO 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SOTRXBOUCOMTIB-LJQANCHMSA-N 1 1 415.538 0.291 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670890425 1078840343 /nfs/dbraw/zinc/84/03/43/1078840343.db2.gz ACUONVIXPYLWDZ-AEFFLSMTSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670890425 1078840338 /nfs/dbraw/zinc/84/03/38/1078840338.db2.gz ACUONVIXPYLWDZ-AEFFLSMTSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670890426 1078840303 /nfs/dbraw/zinc/84/03/03/1078840303.db2.gz ACUONVIXPYLWDZ-FUHWJXTLSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670890426 1078840298 /nfs/dbraw/zinc/84/02/98/1078840298.db2.gz ACUONVIXPYLWDZ-FUHWJXTLSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670890427 1078840382 /nfs/dbraw/zinc/84/03/82/1078840382.db2.gz ACUONVIXPYLWDZ-SJLPKXTDSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670890427 1078840377 /nfs/dbraw/zinc/84/03/77/1078840377.db2.gz ACUONVIXPYLWDZ-SJLPKXTDSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670890428 1078840359 /nfs/dbraw/zinc/84/03/59/1078840359.db2.gz ACUONVIXPYLWDZ-WMZOPIPTSA-N 1 1 403.527 0.769 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670890428 1078840356 /nfs/dbraw/zinc/84/03/56/1078840356.db2.gz ACUONVIXPYLWDZ-WMZOPIPTSA-N 1 1 403.527 0.769 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890704 1078839625 /nfs/dbraw/zinc/83/96/25/1078839625.db2.gz CCFIMYNGIRAQPE-GOSISDBHSA-N 1 1 414.554 0.583 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890704 1078839620 /nfs/dbraw/zinc/83/96/20/1078839620.db2.gz CCFIMYNGIRAQPE-GOSISDBHSA-N 1 1 414.554 0.583 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890705 1078840028 /nfs/dbraw/zinc/84/00/28/1078840028.db2.gz CCFIMYNGIRAQPE-SFHVURJKSA-N 1 1 414.554 0.583 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000670890705 1078840025 /nfs/dbraw/zinc/84/00/25/1078840025.db2.gz CCFIMYNGIRAQPE-SFHVURJKSA-N 1 1 414.554 0.583 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000670890760 1078839642 /nfs/dbraw/zinc/83/96/42/1078839642.db2.gz UBSCDGWACGNUIN-IBGZPJMESA-N 1 1 414.554 0.536 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000670890761 1078839578 /nfs/dbraw/zinc/83/95/78/1078839578.db2.gz UBSCDGWACGNUIN-LJQANCHMSA-N 1 1 414.554 0.536 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cn1 ZINC000670891584 1078840959 /nfs/dbraw/zinc/84/09/59/1078840959.db2.gz FZVKMAVGPKQGPG-UHFFFAOYSA-N 1 1 404.559 0.640 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000670891594 1078841026 /nfs/dbraw/zinc/84/10/26/1078841026.db2.gz HUPNQTQKLFHXOU-GOSISDBHSA-N 1 1 416.570 0.829 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000670891594 1078841020 /nfs/dbraw/zinc/84/10/20/1078841020.db2.gz HUPNQTQKLFHXOU-GOSISDBHSA-N 1 1 416.570 0.829 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000670891595 1078841071 /nfs/dbraw/zinc/84/10/71/1078841071.db2.gz HUPNQTQKLFHXOU-SFHVURJKSA-N 1 1 416.570 0.829 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000670891595 1078841070 /nfs/dbraw/zinc/84/10/70/1078841070.db2.gz HUPNQTQKLFHXOU-SFHVURJKSA-N 1 1 416.570 0.829 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000670891639 1078840702 /nfs/dbraw/zinc/84/07/02/1078840702.db2.gz SLQVPZSUARFXLR-IBGZPJMESA-N 1 1 416.570 0.782 20 0 HCADMO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000670891640 1078840778 /nfs/dbraw/zinc/84/07/78/1078840778.db2.gz SLQVPZSUARFXLR-LJQANCHMSA-N 1 1 416.570 0.782 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892075 1078843320 /nfs/dbraw/zinc/84/33/20/1078843320.db2.gz BLNKYLZUCCJQSW-GOSISDBHSA-N 1 1 400.527 0.050 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892075 1078843318 /nfs/dbraw/zinc/84/33/18/1078843318.db2.gz BLNKYLZUCCJQSW-GOSISDBHSA-N 1 1 400.527 0.050 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892076 1078843686 /nfs/dbraw/zinc/84/36/86/1078843686.db2.gz BLNKYLZUCCJQSW-SFHVURJKSA-N 1 1 400.527 0.050 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)ccn2)CC1 ZINC000670892076 1078843682 /nfs/dbraw/zinc/84/36/82/1078843682.db2.gz BLNKYLZUCCJQSW-SFHVURJKSA-N 1 1 400.527 0.050 20 0 HCADMO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000670892166 1078843709 /nfs/dbraw/zinc/84/37/09/1078843709.db2.gz ZRYIACJDGYWBAY-GOSISDBHSA-N 1 1 402.543 0.440 20 0 HCADMO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000670892167 1078843661 /nfs/dbraw/zinc/84/36/61/1078843661.db2.gz ZRYIACJDGYWBAY-SFHVURJKSA-N 1 1 402.543 0.440 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892199 1078842756 /nfs/dbraw/zinc/84/27/56/1078842756.db2.gz HXOVETCCTDOMNN-MSOLQXFVSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892199 1078842751 /nfs/dbraw/zinc/84/27/51/1078842751.db2.gz HXOVETCCTDOMNN-MSOLQXFVSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892200 1078842837 /nfs/dbraw/zinc/84/28/37/1078842837.db2.gz HXOVETCCTDOMNN-QZTJIDSGSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892200 1078842834 /nfs/dbraw/zinc/84/28/34/1078842834.db2.gz HXOVETCCTDOMNN-QZTJIDSGSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892201 1078842950 /nfs/dbraw/zinc/84/29/50/1078842950.db2.gz HXOVETCCTDOMNN-ROUUACIJSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000670892201 1078842946 /nfs/dbraw/zinc/84/29/46/1078842946.db2.gz HXOVETCCTDOMNN-ROUUACIJSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892202 1078842903 /nfs/dbraw/zinc/84/29/03/1078842903.db2.gz HXOVETCCTDOMNN-ZWKOTPCHSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000670892202 1078842900 /nfs/dbraw/zinc/84/29/00/1078842900.db2.gz HXOVETCCTDOMNN-ZWKOTPCHSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)ccn2)CC1 ZINC000670892302 1078843270 /nfs/dbraw/zinc/84/32/70/1078843270.db2.gz KMEQZFVEGCXJBJ-UHFFFAOYSA-N 1 1 423.521 0.193 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000670892314 1078843256 /nfs/dbraw/zinc/84/32/56/1078843256.db2.gz MMFNTRSXJHAWFH-IBGZPJMESA-N 1 1 414.554 0.536 20 0 HCADMO CN1CCN(c2cc(CNC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000670892315 1078843333 /nfs/dbraw/zinc/84/33/33/1078843333.db2.gz MMFNTRSXJHAWFH-LJQANCHMSA-N 1 1 414.554 0.536 20 0 HCADMO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000670892328 1078843220 /nfs/dbraw/zinc/84/32/20/1078843220.db2.gz POINUBVDHKDFHB-GOSISDBHSA-N 1 1 402.543 0.439 20 0 HCADMO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000670892329 1078843282 /nfs/dbraw/zinc/84/32/82/1078843282.db2.gz POINUBVDHKDFHB-SFHVURJKSA-N 1 1 402.543 0.439 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000670892402 1078842811 /nfs/dbraw/zinc/84/28/11/1078842811.db2.gz MIJMYIYNHLXYOM-INIZCTEOSA-N 1 1 402.543 0.296 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)C1CC[NH+](C)CC1 ZINC000670892403 1078842871 /nfs/dbraw/zinc/84/28/71/1078842871.db2.gz MIJMYIYNHLXYOM-MRXNPFEDSA-N 1 1 402.543 0.296 20 0 HCADMO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892452 1078842889 /nfs/dbraw/zinc/84/28/89/1078842889.db2.gz BNGFFPQYMLHLJT-FCEWJHQRSA-N 1 1 415.538 0.912 20 0 HCADMO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892453 1078842780 /nfs/dbraw/zinc/84/27/80/1078842780.db2.gz BNGFFPQYMLHLJT-GPMSIDNRSA-N 1 1 415.538 0.912 20 0 HCADMO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000670892454 1078842798 /nfs/dbraw/zinc/84/27/98/1078842798.db2.gz BNGFFPQYMLHLJT-JTDSTZFVSA-N 1 1 415.538 0.912 20 0 HCADMO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000670892455 1078842882 /nfs/dbraw/zinc/84/28/82/1078842882.db2.gz BNGFFPQYMLHLJT-MDZRGWNJSA-N 1 1 415.538 0.912 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670893013 1078843605 /nfs/dbraw/zinc/84/36/05/1078843605.db2.gz RRGCDGVMTMGYCX-HPFXQQBRSA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670893013 1078843599 /nfs/dbraw/zinc/84/35/99/1078843599.db2.gz RRGCDGVMTMGYCX-HPFXQQBRSA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670893014 1078843613 /nfs/dbraw/zinc/84/36/13/1078843613.db2.gz RRGCDGVMTMGYCX-KONPQCLYSA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670893014 1078843609 /nfs/dbraw/zinc/84/36/09/1078843609.db2.gz RRGCDGVMTMGYCX-KONPQCLYSA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670893015 1078843669 /nfs/dbraw/zinc/84/36/69/1078843669.db2.gz RRGCDGVMTMGYCX-KYHPRHEASA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670893015 1078843665 /nfs/dbraw/zinc/84/36/65/1078843665.db2.gz RRGCDGVMTMGYCX-KYHPRHEASA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000670893016 1078843715 /nfs/dbraw/zinc/84/37/15/1078843715.db2.gz RRGCDGVMTMGYCX-YFHUEUNASA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1C[N@H+](C)CCO1 ZINC000670893016 1078843714 /nfs/dbraw/zinc/84/37/14/1078843714.db2.gz RRGCDGVMTMGYCX-YFHUEUNASA-N 1 1 419.526 0.147 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670893420 1078842060 /nfs/dbraw/zinc/84/20/60/1078842060.db2.gz OPNPFLQLRQUWJD-AEFFLSMTSA-N 1 1 403.527 0.914 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000670893420 1078842052 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CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670959646 1078869980 /nfs/dbraw/zinc/86/99/80/1078869980.db2.gz CDXUNVRGBVWEAT-IBGZPJMESA-N 1 1 414.554 0.440 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670959646 1078869978 /nfs/dbraw/zinc/86/99/78/1078869978.db2.gz CDXUNVRGBVWEAT-IBGZPJMESA-N 1 1 414.554 0.440 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2)CC1 ZINC000670959647 1078869890 /nfs/dbraw/zinc/86/98/90/1078869890.db2.gz CDXUNVRGBVWEAT-LJQANCHMSA-N 1 1 414.554 0.440 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000670959647 1078869888 /nfs/dbraw/zinc/86/98/88/1078869888.db2.gz CDXUNVRGBVWEAT-LJQANCHMSA-N 1 1 414.554 0.440 20 0 HCADMO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000670959668 1078869958 /nfs/dbraw/zinc/86/99/58/1078869958.db2.gz FSFZXTHQYJTHOF-IBGZPJMESA-N 1 1 416.570 0.830 20 0 HCADMO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000670959669 1078870358 /nfs/dbraw/zinc/87/03/58/1078870358.db2.gz FSFZXTHQYJTHOF-LJQANCHMSA-N 1 1 416.570 0.830 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959671 1078870439 /nfs/dbraw/zinc/87/04/39/1078870439.db2.gz GVPWCUWPNRXGIR-MOPGFXCFSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959671 1078870434 /nfs/dbraw/zinc/87/04/34/1078870434.db2.gz GVPWCUWPNRXGIR-MOPGFXCFSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959672 1078870374 /nfs/dbraw/zinc/87/03/74/1078870374.db2.gz GVPWCUWPNRXGIR-OALUTQOASA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000670959672 1078870370 /nfs/dbraw/zinc/87/03/70/1078870370.db2.gz GVPWCUWPNRXGIR-OALUTQOASA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959673 1078870330 /nfs/dbraw/zinc/87/03/30/1078870330.db2.gz GVPWCUWPNRXGIR-RBUKOAKNSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959673 1078870328 /nfs/dbraw/zinc/87/03/28/1078870328.db2.gz GVPWCUWPNRXGIR-RBUKOAKNSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959674 1078870275 /nfs/dbraw/zinc/87/02/75/1078870275.db2.gz GVPWCUWPNRXGIR-RTBURBONSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000670959674 1078870274 /nfs/dbraw/zinc/87/02/74/1078870274.db2.gz GVPWCUWPNRXGIR-RTBURBONSA-N 1 1 414.554 0.583 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)cn2)CC1 ZINC000670959823 1078870016 /nfs/dbraw/zinc/87/00/16/1078870016.db2.gz IUPNAKYQQZWAFX-IBGZPJMESA-N 1 1 416.570 0.829 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)cn2)CC1 ZINC000670959824 1078869991 /nfs/dbraw/zinc/86/99/91/1078869991.db2.gz IUPNAKYQQZWAFX-LJQANCHMSA-N 1 1 416.570 0.829 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)cn2)CC1 ZINC000670959942 1078872777 /nfs/dbraw/zinc/87/27/77/1078872777.db2.gz FCRJOWKENLNRQU-UHFFFAOYSA-N 1 1 416.570 0.830 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)NCC[N@H+](C)C3CCCC3)cn2)CC1 ZINC000670959942 1078872773 /nfs/dbraw/zinc/87/27/73/1078872773.db2.gz FCRJOWKENLNRQU-UHFFFAOYSA-N 1 1 416.570 0.830 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N(C)CC[NH+]3CCCC3)cn2)CC1 ZINC000670959980 1078872750 /nfs/dbraw/zinc/87/27/50/1078872750.db2.gz NWLVCUCRNVSNJT-UHFFFAOYSA-N 1 1 402.543 0.394 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](C)C3CC[NH+](C)CC3)cn2)CC1 ZINC000670960040 1078872815 /nfs/dbraw/zinc/87/28/15/1078872815.db2.gz WOWDJMLGZHNGFK-KRWDZBQOSA-N 1 1 416.570 0.686 20 0 HCADMO CCN1CCN(c2ccc(CNC(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)cn2)CC1 ZINC000670960041 1078872781 /nfs/dbraw/zinc/87/27/81/1078872781.db2.gz WOWDJMLGZHNGFK-QGZVFWFLSA-N 1 1 416.570 0.686 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)cc2)CC1 ZINC000670960077 1078872405 /nfs/dbraw/zinc/87/24/05/1078872405.db2.gz CFHVYLVAUYUNGJ-KRWDZBQOSA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)cc2)CC1 ZINC000670960078 1078872354 /nfs/dbraw/zinc/87/23/54/1078872354.db2.gz CFHVYLVAUYUNGJ-QGZVFWFLSA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)cc2)CC1 ZINC000670960110 1078872446 /nfs/dbraw/zinc/87/24/46/1078872446.db2.gz HIESOTHMQDYHRZ-UHFFFAOYSA-N 1 1 410.522 0.748 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCc3ccnc(C)n3)cc2)CC1 ZINC000670960313 1078872455 /nfs/dbraw/zinc/87/24/55/1078872455.db2.gz GJDTYNZMZMYVNA-UHFFFAOYSA-N 1 1 410.522 0.855 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C3CC3)cc2)CC1 ZINC000670960316 1078872333 /nfs/dbraw/zinc/87/23/33/1078872333.db2.gz GYWNIIDDHIGBDL-FQEVSTJZSA-N 1 1 402.539 0.670 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C3CC3)cc2)CC1 ZINC000670960317 1078872377 /nfs/dbraw/zinc/87/23/77/1078872377.db2.gz GYWNIIDDHIGBDL-HXUWFJFHSA-N 1 1 402.539 0.670 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCc3cc(C)ncn3)cc2)CC1 ZINC000670960368 1078872019 /nfs/dbraw/zinc/87/20/19/1078872019.db2.gz MQADDUCHXAUSHZ-UHFFFAOYSA-N 1 1 410.522 0.855 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCCOC3)cc2)CC1 ZINC000670960412 1078872114 /nfs/dbraw/zinc/87/21/14/1078872114.db2.gz YGBSFSMPOZAYGM-FQEVSTJZSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCCOC3)cc2)CC1 ZINC000670960413 1078871997 /nfs/dbraw/zinc/87/19/97/1078871997.db2.gz YGBSFSMPOZAYGM-HXUWFJFHSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCn4cc(C)nc4C3)cc2)CC1 ZINC000670960468 1078872093 /nfs/dbraw/zinc/87/20/93/1078872093.db2.gz IKRVUHUMAWGIJQ-UHFFFAOYSA-N 1 1 424.549 0.988 20 0 HCADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cc2)CC1 ZINC000670960496 1078872070 /nfs/dbraw/zinc/87/20/70/1078872070.db2.gz NOMJDRBPKXUTGA-UHFFFAOYSA-N 1 1 413.526 0.238 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCc3c[nH]nc3C2)CC1 ZINC000670960516 1078872392 /nfs/dbraw/zinc/87/23/92/1078872392.db2.gz REHRPADXPRXYAH-UHFFFAOYSA-N 1 1 410.522 0.748 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)CC1 ZINC000670960517 1078872318 /nfs/dbraw/zinc/87/23/18/1078872318.db2.gz RERDHNMIAGIALG-KRWDZBQOSA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCNC(=O)C[C@H]2C)CC1 ZINC000670960518 1078872429 /nfs/dbraw/zinc/87/24/29/1078872429.db2.gz RERDHNMIAGIALG-QGZVFWFLSA-N 1 1 415.538 0.177 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCc2ccnc(C)n2)CC1 ZINC000670960601 1078872061 /nfs/dbraw/zinc/87/20/61/1078872061.db2.gz JWEMLUGRCWQZDG-UHFFFAOYSA-N 1 1 410.522 0.855 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCc2cc(C)ncn2)CC1 ZINC000670960618 1078872027 /nfs/dbraw/zinc/87/20/27/1078872027.db2.gz MUGYIQRLIXBMNJ-UHFFFAOYSA-N 1 1 410.522 0.855 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCCOC2)CC1 ZINC000670960666 1078870737 /nfs/dbraw/zinc/87/07/37/1078870737.db2.gz VOQRWWZCRPQTPO-GOSISDBHSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCCOC2)CC1 ZINC000670960667 1078870634 /nfs/dbraw/zinc/87/06/34/1078870634.db2.gz VOQRWWZCRPQTPO-SFHVURJKSA-N 1 1 402.539 0.983 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)C[C@H](O)C2CC2)CC1 ZINC000670960813 1078870713 /nfs/dbraw/zinc/87/07/13/1078870713.db2.gz WIABWFKBBKULJD-FQEVSTJZSA-N 1 1 402.539 0.670 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)C[C@@H](O)C2CC2)CC1 ZINC000670960814 1078870750 /nfs/dbraw/zinc/87/07/50/1078870750.db2.gz WIABWFKBBKULJD-HXUWFJFHSA-N 1 1 402.539 0.670 20 0 HCADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCn3cc(C)nc3C2)CC1 ZINC000670960815 1078870613 /nfs/dbraw/zinc/87/06/13/1078870613.db2.gz WKNCSCXAJDDZNI-UHFFFAOYSA-N 1 1 424.549 0.988 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000670967219 1078875023 /nfs/dbraw/zinc/87/50/23/1078875023.db2.gz BRNQDOOEXCFWBT-HNNXBMFYSA-N 1 1 422.913 0.600 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000670967220 1078875058 /nfs/dbraw/zinc/87/50/58/1078875058.db2.gz BRNQDOOEXCFWBT-OAHLLOKOSA-N 1 1 422.913 0.600 20 0 HCADMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967225 1078874976 /nfs/dbraw/zinc/87/49/76/1078874976.db2.gz CMOKCEGZRYSJBA-UHFFFAOYSA-N 1 1 414.428 0.944 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000670967229 1078875034 /nfs/dbraw/zinc/87/50/34/1078875034.db2.gz DAQLLGDYKHTFJP-UHFFFAOYSA-N 1 1 419.913 0.760 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2N2CCCC2)CC1 ZINC000670967234 1078875092 /nfs/dbraw/zinc/87/50/92/1078875092.db2.gz FLACADPRVZFGGV-UHFFFAOYSA-N 1 1 401.511 0.183 20 0 HCADMO COc1ccccc1C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967243 1078875081 /nfs/dbraw/zinc/87/50/81/1078875081.db2.gz HSCZPJZCCYXISI-UHFFFAOYSA-N 1 1 404.511 0.369 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000670967249 1078875109 /nfs/dbraw/zinc/87/51/09/1078875109.db2.gz JVUAWIUXLBEQIF-GOSISDBHSA-N 1 1 402.495 0.257 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000670967250 1078875073 /nfs/dbraw/zinc/87/50/73/1078875073.db2.gz JVUAWIUXLBEQIF-SFHVURJKSA-N 1 1 402.495 0.257 20 0 HCADMO COc1cccc(CN(CC(C)C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000670967274 1078874999 /nfs/dbraw/zinc/87/49/99/1078874999.db2.gz NEMMGHFLTUNTQB-UHFFFAOYSA-N 1 1 418.538 0.960 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc(OC(C)(C)C)n2)CC1 ZINC000670967300 1078875012 /nfs/dbraw/zinc/87/50/12/1078875012.db2.gz PMONXRDTNWUDEP-UHFFFAOYSA-N 1 1 405.499 0.155 20 0 HCADMO C[C@H]1CN(c2ccccc2F)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967333 1078875101 /nfs/dbraw/zinc/87/51/01/1078875101.db2.gz XSSVDAYNSGJHFK-INIZCTEOSA-N 1 1 419.501 0.143 20 0 HCADMO C[C@@H]1CN(c2ccccc2F)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967334 1078875049 /nfs/dbraw/zinc/87/50/49/1078875049.db2.gz XSSVDAYNSGJHFK-MRXNPFEDSA-N 1 1 419.501 0.143 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000670967386 1078877095 /nfs/dbraw/zinc/87/70/95/1078877095.db2.gz LWGWGTYGAOOHGZ-KBPBESRZSA-N 1 1 406.449 0.752 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000670967387 1078877028 /nfs/dbraw/zinc/87/70/28/1078877028.db2.gz LWGWGTYGAOOHGZ-KGLIPLIRSA-N 1 1 406.449 0.752 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000670967388 1078877054 /nfs/dbraw/zinc/87/70/54/1078877054.db2.gz LWGWGTYGAOOHGZ-UONOGXRCSA-N 1 1 406.449 0.752 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000670967389 1078877004 /nfs/dbraw/zinc/87/70/04/1078877004.db2.gz LWGWGTYGAOOHGZ-ZIAGYGMSSA-N 1 1 406.449 0.752 20 0 HCADMO CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000670967395 1078877077 /nfs/dbraw/zinc/87/70/77/1078877077.db2.gz MQKQQZLGEJXUCX-INIZCTEOSA-N 1 1 404.511 0.931 20 0 HCADMO CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000670967396 1078877061 /nfs/dbraw/zinc/87/70/61/1078877061.db2.gz MQKQQZLGEJXUCX-MRXNPFEDSA-N 1 1 404.511 0.931 20 0 HCADMO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967414 1078877084 /nfs/dbraw/zinc/87/70/84/1078877084.db2.gz OQFZMAKGJSCTLZ-GOSISDBHSA-N 1 1 415.538 0.524 20 0 HCADMO CC[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967415 1078877022 /nfs/dbraw/zinc/87/70/22/1078877022.db2.gz OQFZMAKGJSCTLZ-SFHVURJKSA-N 1 1 415.538 0.524 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(OC(C)(C)C)cc2)CC1 ZINC000670967423 1078876996 /nfs/dbraw/zinc/87/69/96/1078876996.db2.gz PYQSQIAEKSPQFE-UHFFFAOYSA-N 1 1 404.511 0.760 20 0 HCADMO COCCN(Cc1ccc(C)cc1C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000670967558 1078876660 /nfs/dbraw/zinc/87/66/60/1078876660.db2.gz YEGZNFKZULAEAG-UHFFFAOYSA-N 1 1 418.538 0.559 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(OCC2CC2)c1 ZINC000670967560 1078876636 /nfs/dbraw/zinc/87/66/36/1078876636.db2.gz YPAKCJNBHYSKEN-UHFFFAOYSA-N 1 1 416.522 0.680 20 0 HCADMO COc1ccc(CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000670967576 1078876742 /nfs/dbraw/zinc/87/67/42/1078876742.db2.gz CEIUJWQNLIBYSB-UHFFFAOYSA-N 1 1 402.495 0.467 20 0 HCADMO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000670967643 1078876693 /nfs/dbraw/zinc/87/66/93/1078876693.db2.gz VHWBIKFBHNZXFH-KRWDZBQOSA-N 1 1 418.494 0.305 20 0 HCADMO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000670967644 1078876721 /nfs/dbraw/zinc/87/67/21/1078876721.db2.gz VHWBIKFBHNZXFH-QGZVFWFLSA-N 1 1 418.494 0.305 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000670967674 1078876347 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ZINC000670977999 1078881630 /nfs/dbraw/zinc/88/16/30/1078881630.db2.gz VBSHFGCUCNXPFG-IBGZPJMESA-N 1 1 409.490 0.661 20 0 HCADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978000 1078881920 /nfs/dbraw/zinc/88/19/20/1078881920.db2.gz VBSHFGCUCNXPFG-LJQANCHMSA-N 1 1 409.490 0.661 20 0 HCADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000670978052 1078882345 /nfs/dbraw/zinc/88/23/45/1078882345.db2.gz HGPFQPJBKMFJEX-UHFFFAOYSA-N 1 1 423.517 0.971 20 0 HCADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978075 1078882253 /nfs/dbraw/zinc/88/22/53/1078882253.db2.gz MTSYKZARPVJAIU-APWZRJJASA-N 1 1 409.490 0.879 20 0 HCADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978076 1078882316 /nfs/dbraw/zinc/88/23/16/1078882316.db2.gz MTSYKZARPVJAIU-LPHOPBHVSA-N 1 1 409.490 0.879 20 0 HCADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCNC(=O)c2cccnc2)C1 ZINC000670978078 1078882263 /nfs/dbraw/zinc/88/22/63/1078882263.db2.gz MTSYKZARPVJAIU-VQIMIIECSA-N 1 1 409.490 0.879 20 0 HCADMO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000670978430 1078880126 /nfs/dbraw/zinc/88/01/26/1078880126.db2.gz KAFPETXBSUVTIA-GOSISDBHSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000670978430 1078880124 /nfs/dbraw/zinc/88/01/24/1078880124.db2.gz KAFPETXBSUVTIA-GOSISDBHSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000670978431 1078880149 /nfs/dbraw/zinc/88/01/49/1078880149.db2.gz KAFPETXBSUVTIA-SFHVURJKSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000670978431 1078880147 /nfs/dbraw/zinc/88/01/47/1078880147.db2.gz KAFPETXBSUVTIA-SFHVURJKSA-N 1 1 402.543 0.391 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3ccc(N(C)C)nc3)CC2)CC1 ZINC000670978434 1078880064 /nfs/dbraw/zinc/88/00/64/1078880064.db2.gz KFUJIAKTSSVQER-UHFFFAOYSA-N 1 1 416.570 0.781 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3cccnc3N(C)C)CC2)CC1 ZINC000670979040 1078883370 /nfs/dbraw/zinc/88/33/70/1078883370.db2.gz SPMPGDPBFMWPOF-UHFFFAOYSA-N 1 1 416.570 0.781 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670979055 1078881970 /nfs/dbraw/zinc/88/19/70/1078881970.db2.gz XSUFFVSYKLHIEB-GOSISDBHSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670979055 1078881968 /nfs/dbraw/zinc/88/19/68/1078881968.db2.gz XSUFFVSYKLHIEB-GOSISDBHSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670979056 1078881932 /nfs/dbraw/zinc/88/19/32/1078881932.db2.gz XSUFFVSYKLHIEB-SFHVURJKSA-N 1 1 402.543 0.391 20 0 HCADMO CN(C)c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670979056 1078881929 /nfs/dbraw/zinc/88/19/29/1078881929.db2.gz XSUFFVSYKLHIEB-SFHVURJKSA-N 1 1 402.543 0.391 20 0 HCADMO CC[C@@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000670979623 1078882710 /nfs/dbraw/zinc/88/27/10/1078882710.db2.gz ISWIARPHNXLHEG-IBGZPJMESA-N 1 1 403.523 0.939 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N1CCC(CO)(OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000670979624 1078882665 /nfs/dbraw/zinc/88/26/65/1078882665.db2.gz ISWIARPHNXLHEG-LJQANCHMSA-N 1 1 403.523 0.939 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979901 1078882227 /nfs/dbraw/zinc/88/22/27/1078882227.db2.gz UHCYXDRNVYHFQF-AHRSYUTCSA-N 1 1 402.539 0.775 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979902 1078882277 /nfs/dbraw/zinc/88/22/77/1078882277.db2.gz UHCYXDRNVYHFQF-DBVUQKKJSA-N 1 1 402.539 0.775 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979903 1078882427 /nfs/dbraw/zinc/88/24/27/1078882427.db2.gz UHCYXDRNVYHFQF-NSISKUIASA-N 1 1 402.539 0.775 20 0 HCADMO CC[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000670979904 1078882404 /nfs/dbraw/zinc/88/24/04/1078882404.db2.gz UHCYXDRNVYHFQF-PWIZWCRZSA-N 1 1 402.539 0.775 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)N(C)c1ccccc1 ZINC000670980073 1078884204 /nfs/dbraw/zinc/88/42/04/1078884204.db2.gz USMLMHLBRIJAMA-INIZCTEOSA-N 1 1 403.527 0.296 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)N(C)c1ccccc1 ZINC000670980074 1078884176 /nfs/dbraw/zinc/88/41/76/1078884176.db2.gz USMLMHLBRIJAMA-MRXNPFEDSA-N 1 1 403.527 0.296 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980445 1078883911 /nfs/dbraw/zinc/88/39/11/1078883911.db2.gz VTWMHWBIEXPVSC-AZUAARDMSA-N 1 1 401.555 0.866 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980446 1078883872 /nfs/dbraw/zinc/88/38/72/1078883872.db2.gz VTWMHWBIEXPVSC-ICSRJNTNSA-N 1 1 401.555 0.866 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980447 1078883821 /nfs/dbraw/zinc/88/38/21/1078883821.db2.gz VTWMHWBIEXPVSC-QUCCMNQESA-N 1 1 401.555 0.866 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N(C)c1ccccc1 ZINC000670980448 1078883960 /nfs/dbraw/zinc/88/39/60/1078883960.db2.gz VTWMHWBIEXPVSC-UYAOXDASSA-N 1 1 401.555 0.866 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980469 1078883942 /nfs/dbraw/zinc/88/39/42/1078883942.db2.gz ZQRYKXISWHUDRV-MSOLQXFVSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980469 1078883940 /nfs/dbraw/zinc/88/39/40/1078883940.db2.gz ZQRYKXISWHUDRV-MSOLQXFVSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980470 1078883972 /nfs/dbraw/zinc/88/39/72/1078883972.db2.gz ZQRYKXISWHUDRV-QZTJIDSGSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980470 1078883970 /nfs/dbraw/zinc/88/39/70/1078883970.db2.gz ZQRYKXISWHUDRV-QZTJIDSGSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980471 1078883832 /nfs/dbraw/zinc/88/38/32/1078883832.db2.gz ZQRYKXISWHUDRV-ROUUACIJSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980471 1078883829 /nfs/dbraw/zinc/88/38/29/1078883829.db2.gz ZQRYKXISWHUDRV-ROUUACIJSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980472 1078883792 /nfs/dbraw/zinc/88/37/92/1078883792.db2.gz ZQRYKXISWHUDRV-ZWKOTPCHSA-N 1 1 401.555 0.912 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)N(C)c1ccccc1 ZINC000670980472 1078883787 /nfs/dbraw/zinc/88/37/87/1078883787.db2.gz ZQRYKXISWHUDRV-ZWKOTPCHSA-N 1 1 401.555 0.912 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980737 1078883403 /nfs/dbraw/zinc/88/34/03/1078883403.db2.gz MTZWGZZNGNCLLV-PMACEKPBSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980737 1078883397 /nfs/dbraw/zinc/88/33/97/1078883397.db2.gz MTZWGZZNGNCLLV-PMACEKPBSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980738 1078883587 /nfs/dbraw/zinc/88/35/87/1078883587.db2.gz MTZWGZZNGNCLLV-UXHICEINSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980738 1078883584 /nfs/dbraw/zinc/88/35/84/1078883584.db2.gz MTZWGZZNGNCLLV-UXHICEINSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980739 1078883441 /nfs/dbraw/zinc/88/34/41/1078883441.db2.gz MTZWGZZNGNCLLV-VQTJNVASSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980739 1078883439 /nfs/dbraw/zinc/88/34/39/1078883439.db2.gz MTZWGZZNGNCLLV-VQTJNVASSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980740 1078883390 /nfs/dbraw/zinc/88/33/90/1078883390.db2.gz MTZWGZZNGNCLLV-WOJBJXKFSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000670980740 1078883385 /nfs/dbraw/zinc/88/33/85/1078883385.db2.gz MTZWGZZNGNCLLV-WOJBJXKFSA-N 1 1 419.545 0.783 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981693 1078884295 /nfs/dbraw/zinc/88/42/95/1078884295.db2.gz FVOOIZAFGLUQLD-MSOLQXFVSA-N 1 1 407.584 0.705 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981694 1078884321 /nfs/dbraw/zinc/88/43/21/1078884321.db2.gz FVOOIZAFGLUQLD-QZTJIDSGSA-N 1 1 407.584 0.705 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981695 1078884214 /nfs/dbraw/zinc/88/42/14/1078884214.db2.gz FVOOIZAFGLUQLD-ROUUACIJSA-N 1 1 407.584 0.705 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccsc1 ZINC000670981696 1078883178 /nfs/dbraw/zinc/88/31/78/1078883178.db2.gz FVOOIZAFGLUQLD-ZWKOTPCHSA-N 1 1 407.584 0.705 20 0 HCADMO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)CC2 ZINC000670981801 1078883056 /nfs/dbraw/zinc/88/30/56/1078883056.db2.gz YRVAEJXTDXRVQY-KBPBESRZSA-N 1 1 406.512 0.336 20 0 HCADMO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)CC2 ZINC000670981802 1078883049 /nfs/dbraw/zinc/88/30/49/1078883049.db2.gz YRVAEJXTDXRVQY-KGLIPLIRSA-N 1 1 406.512 0.336 20 0 HCADMO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)CC2 ZINC000670981803 1078883075 /nfs/dbraw/zinc/88/30/75/1078883075.db2.gz YRVAEJXTDXRVQY-UONOGXRCSA-N 1 1 406.512 0.336 20 0 HCADMO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C)CC2 ZINC000670981804 1078883080 /nfs/dbraw/zinc/88/30/80/1078883080.db2.gz YRVAEJXTDXRVQY-ZIAGYGMSSA-N 1 1 406.512 0.336 20 0 HCADMO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000670982021 1078885580 /nfs/dbraw/zinc/88/55/80/1078885580.db2.gz UGGVZBCCHOUJAQ-INIZCTEOSA-N 1 1 402.524 0.914 20 0 HCADMO Cc1nccnc1N1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000670982022 1078885626 /nfs/dbraw/zinc/88/56/26/1078885626.db2.gz UGGVZBCCHOUJAQ-MRXNPFEDSA-N 1 1 402.524 0.914 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000670982294 1078885617 /nfs/dbraw/zinc/88/56/17/1078885617.db2.gz GYDBVHAUMDTYNI-INIZCTEOSA-N 1 1 410.540 0.468 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000670982299 1078885658 /nfs/dbraw/zinc/88/56/58/1078885658.db2.gz GYDBVHAUMDTYNI-MRXNPFEDSA-N 1 1 410.540 0.468 20 0 HCADMO CCOc1ccnc(N2CCCN(C(=O)C(=O)NCCCn3cc[nH+]c3C)CC2)n1 ZINC000670982653 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410.540 0.200 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000670984135 1078887117 /nfs/dbraw/zinc/88/71/17/1078887117.db2.gz QUOCDMDIHIQTES-OAHLLOKOSA-N 1 1 410.540 0.200 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984458 1078886532 /nfs/dbraw/zinc/88/65/32/1078886532.db2.gz ZQXJIZKKMYMDKT-INIZCTEOSA-N 1 1 422.551 0.691 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000670984459 1078886707 /nfs/dbraw/zinc/88/67/07/1078886707.db2.gz ZQXJIZKKMYMDKT-MRXNPFEDSA-N 1 1 422.551 0.691 20 0 HCADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984672 1078886188 /nfs/dbraw/zinc/88/61/88/1078886188.db2.gz QWJGVYLZCZBVOL-HNNXBMFYSA-N 1 1 410.540 0.547 20 0 HCADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)C1 ZINC000670984673 1078886098 /nfs/dbraw/zinc/88/60/98/1078886098.db2.gz QWJGVYLZCZBVOL-OAHLLOKOSA-N 1 1 410.540 0.547 20 0 HCADMO 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CC[C@H](C)NC(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000671006858 1078913079 /nfs/dbraw/zinc/91/30/79/1078913079.db2.gz LODUQWZRHSHOOH-RLFYNMQTSA-N 1 1 404.511 0.666 20 0 HCADMO CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671015367 1078925839 /nfs/dbraw/zinc/92/58/39/1078925839.db2.gz HKPYLUPIHSEVBJ-GOSISDBHSA-N 1 1 401.511 0.029 20 0 HCADMO CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671015367 1078925833 /nfs/dbraw/zinc/92/58/33/1078925833.db2.gz HKPYLUPIHSEVBJ-GOSISDBHSA-N 1 1 401.511 0.029 20 0 HCADMO CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671015368 1078926062 /nfs/dbraw/zinc/92/60/62/1078926062.db2.gz HKPYLUPIHSEVBJ-SFHVURJKSA-N 1 1 401.511 0.029 20 0 HCADMO CN(C(=O)C(=O)NCc1cccc(C(N)=O)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671015368 1078926058 /nfs/dbraw/zinc/92/60/58/1078926058.db2.gz HKPYLUPIHSEVBJ-SFHVURJKSA-N 1 1 401.511 0.029 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3cccc(C(N)=O)c3)CC2)CC1 ZINC000671015371 1078926109 /nfs/dbraw/zinc/92/61/09/1078926109.db2.gz IIUNAWODKLGFNA-UHFFFAOYSA-N 1 1 415.538 0.419 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000671015796 1078926671 /nfs/dbraw/zinc/92/66/71/1078926671.db2.gz OGPYTUUKCARNRK-GOSISDBHSA-N 1 1 415.538 0.289 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000671015796 1078926668 /nfs/dbraw/zinc/92/66/68/1078926668.db2.gz OGPYTUUKCARNRK-GOSISDBHSA-N 1 1 415.538 0.289 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000671015797 1078926555 /nfs/dbraw/zinc/92/65/55/1078926555.db2.gz OGPYTUUKCARNRK-SFHVURJKSA-N 1 1 415.538 0.289 20 0 HCADMO CN(C)C(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000671015797 1078926543 /nfs/dbraw/zinc/92/65/43/1078926543.db2.gz OGPYTUUKCARNRK-SFHVURJKSA-N 1 1 415.538 0.289 20 0 HCADMO 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20 0 HCADMO C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)[C@@H](c2ccccc2)C1 ZINC000671018833 1078929554 /nfs/dbraw/zinc/92/95/54/1078929554.db2.gz ZWRAGONXHNMUOC-HXUWFJFHSA-N 1 1 410.522 0.789 20 0 HCADMO C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)[C@@H](c2ccccc2)C1 ZINC000671018833 1078929546 /nfs/dbraw/zinc/92/95/46/1078929546.db2.gz ZWRAGONXHNMUOC-HXUWFJFHSA-N 1 1 410.522 0.789 20 0 HCADMO CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCc3c[nH]nc3C2)[C@@H](c2ccccc2)C1 ZINC000671018833 1078929541 /nfs/dbraw/zinc/92/95/41/1078929541.db2.gz ZWRAGONXHNMUOC-HXUWFJFHSA-N 1 1 410.522 0.789 20 0 HCADMO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000671018986 1078932862 /nfs/dbraw/zinc/93/28/62/1078932862.db2.gz RKFWJNQGVDSOMX-PMACEKPBSA-N 1 1 402.539 0.711 20 0 HCADMO CN(C[C@H](O)C1CC1)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000671018986 1078932853 /nfs/dbraw/zinc/93/28/53/1078932853.db2.gz RKFWJNQGVDSOMX-PMACEKPBSA-N 1 1 402.539 0.711 20 0 HCADMO 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CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000671018988 1078932762 /nfs/dbraw/zinc/93/27/62/1078932762.db2.gz RKFWJNQGVDSOMX-VQTJNVASSA-N 1 1 402.539 0.711 20 0 HCADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000671018988 1078932754 /nfs/dbraw/zinc/93/27/54/1078932754.db2.gz RKFWJNQGVDSOMX-VQTJNVASSA-N 1 1 402.539 0.711 20 0 HCADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000671018989 1078932918 /nfs/dbraw/zinc/93/29/18/1078932918.db2.gz RKFWJNQGVDSOMX-WOJBJXKFSA-N 1 1 402.539 0.711 20 0 HCADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000671018989 1078932909 /nfs/dbraw/zinc/93/29/09/1078932909.db2.gz RKFWJNQGVDSOMX-WOJBJXKFSA-N 1 1 402.539 0.711 20 0 HCADMO CN(C[C@@H](O)C1CC1)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000671018989 1078932903 /nfs/dbraw/zinc/93/29/03/1078932903.db2.gz RKFWJNQGVDSOMX-WOJBJXKFSA-N 1 1 402.539 0.711 20 0 HCADMO O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671019213 1078932999 /nfs/dbraw/zinc/93/29/99/1078932999.db2.gz RGSVVTOHXMMVKR-FQEVSTJZSA-N 1 1 413.566 0.915 20 0 HCADMO O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671019213 1078932998 /nfs/dbraw/zinc/93/29/98/1078932998.db2.gz RGSVVTOHXMMVKR-FQEVSTJZSA-N 1 1 413.566 0.915 20 0 HCADMO O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671019214 1078932978 /nfs/dbraw/zinc/93/29/78/1078932978.db2.gz RGSVVTOHXMMVKR-HXUWFJFHSA-N 1 1 413.566 0.915 20 0 HCADMO O=C(NCCCN1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000671019214 1078932974 /nfs/dbraw/zinc/93/29/74/1078932974.db2.gz RGSVVTOHXMMVKR-HXUWFJFHSA-N 1 1 413.566 0.915 20 0 HCADMO C[C@H]1COCCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019507 1078934793 /nfs/dbraw/zinc/93/47/93/1078934793.db2.gz ILIHRWHLQUQOLO-IBGZPJMESA-N 1 1 402.539 0.948 20 0 HCADMO C[C@@H]1COCCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019508 1078934639 /nfs/dbraw/zinc/93/46/39/1078934639.db2.gz ILIHRWHLQUQOLO-LJQANCHMSA-N 1 1 402.539 0.948 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCCOC1 ZINC000671019513 1078934724 /nfs/dbraw/zinc/93/47/24/1078934724.db2.gz IUEWPWPZERNKIE-FQEVSTJZSA-N 1 1 402.539 0.853 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000671019514 1078934831 /nfs/dbraw/zinc/93/48/31/1078934831.db2.gz IUEWPWPZERNKIE-HXUWFJFHSA-N 1 1 402.539 0.853 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)ncn1 ZINC000671019533 1078934495 /nfs/dbraw/zinc/93/44/95/1078934495.db2.gz NMSZGYYYOHVXCZ-UHFFFAOYSA-N 1 1 410.522 0.725 20 0 HCADMO COC[C@@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019549 1078934434 /nfs/dbraw/zinc/93/44/34/1078934434.db2.gz OYXWMDIFCCVQFZ-FQEVSTJZSA-N 1 1 402.539 0.948 20 0 HCADMO COC[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019550 1078934345 /nfs/dbraw/zinc/93/43/45/1078934345.db2.gz OYXWMDIFCCVQFZ-HXUWFJFHSA-N 1 1 402.539 0.948 20 0 HCADMO CCN(CC(C)(C)O)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019567 1078934906 /nfs/dbraw/zinc/93/49/06/1078934906.db2.gz RUIBAPBZRCRRMU-UHFFFAOYSA-N 1 1 404.555 0.930 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000671019570 1078934763 /nfs/dbraw/zinc/93/47/63/1078934763.db2.gz SNEHSLDCUOSEPD-HSZRJFAPSA-N 1 1 414.550 0.950 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000671019571 1078934469 /nfs/dbraw/zinc/93/44/69/1078934469.db2.gz SNEHSLDCUOSEPD-QHCPKHFHSA-N 1 1 414.550 0.950 20 0 HCADMO Cc1cn2c(n1)CN(C(=O)C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)CC2 ZINC000671019575 1078934610 /nfs/dbraw/zinc/93/46/10/1078934610.db2.gz UVTRIFVDGRZENQ-UHFFFAOYSA-N 1 1 424.549 0.858 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000671019584 1078934955 /nfs/dbraw/zinc/93/49/55/1078934955.db2.gz YVDNJEWPGVYLEP-UHFFFAOYSA-N 1 1 410.522 0.725 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019623 1078934536 /nfs/dbraw/zinc/93/45/36/1078934536.db2.gz JKRYTFLGRSXMFU-GOSISDBHSA-N 1 1 415.538 0.048 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000671019624 1078935421 /nfs/dbraw/zinc/93/54/21/1078935421.db2.gz JKRYTFLGRSXMFU-SFHVURJKSA-N 1 1 415.538 0.048 20 0 HCADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CCc2c[nH]nc2C1 ZINC000671019651 1078934120 /nfs/dbraw/zinc/93/41/20/1078934120.db2.gz NVSWWPXTAWEZHG-UHFFFAOYSA-N 1 1 410.522 0.619 20 0 HCADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000671020145 1078939751 /nfs/dbraw/zinc/93/97/51/1078939751.db2.gz JGFOFBOJQFFJIR-SJORKVTESA-N 1 1 422.551 0.685 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000671020491 1078938706 /nfs/dbraw/zinc/93/87/06/1078938706.db2.gz DGNHHAMWJCRPEV-FXAWDEMLSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000671020491 1078938691 /nfs/dbraw/zinc/93/86/91/1078938691.db2.gz DGNHHAMWJCRPEV-FXAWDEMLSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000671020492 1078938788 /nfs/dbraw/zinc/93/87/88/1078938788.db2.gz DGNHHAMWJCRPEV-PXNSSMCTSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000671020492 1078938774 /nfs/dbraw/zinc/93/87/74/1078938774.db2.gz DGNHHAMWJCRPEV-PXNSSMCTSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000671020493 1078938422 /nfs/dbraw/zinc/93/84/22/1078938422.db2.gz DGNHHAMWJCRPEV-XLIONFOSSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000671020493 1078938412 /nfs/dbraw/zinc/93/84/12/1078938412.db2.gz DGNHHAMWJCRPEV-XLIONFOSSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)n1 ZINC000671020494 1078938469 /nfs/dbraw/zinc/93/84/69/1078938469.db2.gz DGNHHAMWJCRPEV-YLJYHZDGSA-N 1 1 413.522 0.983 20 0 HCADMO Cc1cc(C)n(-c2ccc(CCNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2)n1 ZINC000671020494 1078938459 /nfs/dbraw/zinc/93/84/59/1078938459.db2.gz DGNHHAMWJCRPEV-YLJYHZDGSA-N 1 1 413.522 0.983 20 0 HCADMO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021269 1078941495 /nfs/dbraw/zinc/94/14/95/1078941495.db2.gz VUFMICHAABRZEC-RHSMWYFYSA-N 1 1 402.495 0.732 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021270 1078941544 /nfs/dbraw/zinc/94/15/44/1078941544.db2.gz VUFMICHAABRZEC-WMLDXEAASA-N 1 1 402.495 0.732 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000671021271 1078941827 /nfs/dbraw/zinc/94/18/27/1078941827.db2.gz VUFMICHAABRZEC-YOEHRIQHSA-N 1 1 402.495 0.732 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030533 1078962782 /nfs/dbraw/zinc/96/27/82/1078962782.db2.gz HFJPRAQGONJSDJ-DOTOQJQBSA-N 1 1 404.511 0.931 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030534 1078962919 /nfs/dbraw/zinc/96/29/19/1078962919.db2.gz HFJPRAQGONJSDJ-NVXWUHKLSA-N 1 1 404.511 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030535 1078963381 /nfs/dbraw/zinc/96/33/81/1078963381.db2.gz HFJPRAQGONJSDJ-RDJZCZTQSA-N 1 1 404.511 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000671030536 1078963523 /nfs/dbraw/zinc/96/35/23/1078963523.db2.gz HFJPRAQGONJSDJ-WBVHZDCISA-N 1 1 404.511 0.931 20 0 HCADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031946 1078963681 /nfs/dbraw/zinc/96/36/81/1078963681.db2.gz GMPSPNWRTUHMHN-KDURUIRLSA-N 1 1 424.586 0.563 20 0 HCADMO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031946 1078963676 /nfs/dbraw/zinc/96/36/76/1078963676.db2.gz GMPSPNWRTUHMHN-KDURUIRLSA-N 1 1 424.586 0.563 20 0 HCADMO C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000671031947 1078963500 /nfs/dbraw/zinc/96/35/00/1078963500.db2.gz GMPSPNWRTUHMHN-OALUTQOASA-N 1 1 424.586 0.563 20 0 HCADMO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000671031948 1078963621 /nfs/dbraw/zinc/96/36/21/1078963621.db2.gz GMPSPNWRTUHMHN-RTBURBONSA-N 1 1 424.586 0.563 20 0 HCADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032128 1078967799 /nfs/dbraw/zinc/96/77/99/1078967799.db2.gz ZXUJGPMWKWWJGX-FQEVSTJZSA-N 1 1 402.539 0.948 20 0 HCADMO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032128 1078967785 /nfs/dbraw/zinc/96/77/85/1078967785.db2.gz ZXUJGPMWKWWJGX-FQEVSTJZSA-N 1 1 402.539 0.948 20 0 HCADMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032129 1078967303 /nfs/dbraw/zinc/96/73/03/1078967303.db2.gz ZXUJGPMWKWWJGX-HXUWFJFHSA-N 1 1 402.539 0.948 20 0 HCADMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CCOCC2)C1 ZINC000671032129 1078967297 /nfs/dbraw/zinc/96/72/97/1078967297.db2.gz ZXUJGPMWKWWJGX-HXUWFJFHSA-N 1 1 402.539 0.948 20 0 HCADMO O=C(NCCCCN1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000671032312 1078966771 /nfs/dbraw/zinc/96/67/71/1078966771.db2.gz PRGRWENBWZVBMZ-UHFFFAOYSA-N 1 1 403.527 0.391 20 0 HCADMO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671032936 1078966209 /nfs/dbraw/zinc/96/62/09/1078966209.db2.gz GOCVJHHACGPEAN-KRWDZBQOSA-N 1 1 404.511 0.779 20 0 HCADMO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671032938 1078966078 /nfs/dbraw/zinc/96/60/78/1078966078.db2.gz GOCVJHHACGPEAN-QGZVFWFLSA-N 1 1 404.511 0.779 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000671032976 1078967410 /nfs/dbraw/zinc/96/74/10/1078967410.db2.gz WODPGFPZRNXHDV-UHFFFAOYSA-N 1 1 422.501 0.495 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671032979 1078967996 /nfs/dbraw/zinc/96/79/96/1078967996.db2.gz WZFZBKHDSNIJPT-UHFFFAOYSA-N 1 1 401.555 0.699 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000671033044 1078967585 /nfs/dbraw/zinc/96/75/85/1078967585.db2.gz UCPPWDCGIQZTIN-KRWDZBQOSA-N 1 1 410.559 0.758 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000671033045 1078967905 /nfs/dbraw/zinc/96/79/05/1078967905.db2.gz UCPPWDCGIQZTIN-QGZVFWFLSA-N 1 1 410.559 0.758 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033219 1078971820 /nfs/dbraw/zinc/97/18/20/1078971820.db2.gz UOXGNBZJCFSHMT-KRWDZBQOSA-N 1 1 423.508 0.804 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000671033220 1078970047 /nfs/dbraw/zinc/97/00/47/1078970047.db2.gz UOXGNBZJCFSHMT-QGZVFWFLSA-N 1 1 423.508 0.804 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671033276 1078971043 /nfs/dbraw/zinc/97/10/43/1078971043.db2.gz HBRPQSINLHUSMI-UHFFFAOYSA-N 1 1 401.511 0.006 20 0 HCADMO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033277 1078971324 /nfs/dbraw/zinc/97/13/24/1078971324.db2.gz HHBFGXGVVJHCTM-GOSISDBHSA-N 1 1 404.511 0.779 20 0 HCADMO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033278 1078971013 /nfs/dbraw/zinc/97/10/13/1078971013.db2.gz HHBFGXGVVJHCTM-SFHVURJKSA-N 1 1 404.511 0.779 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)c(OC)c1 ZINC000671033299 1078971374 /nfs/dbraw/zinc/97/13/74/1078971374.db2.gz MPFVSWAHURFEBD-UHFFFAOYSA-N 1 1 406.527 0.806 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000671033321 1078971260 /nfs/dbraw/zinc/97/12/60/1078971260.db2.gz SJXGZAMZNJDREQ-HSZRJFAPSA-N 1 1 414.550 0.831 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000671033322 1078971167 /nfs/dbraw/zinc/97/11/67/1078971167.db2.gz SJXGZAMZNJDREQ-QHCPKHFHSA-N 1 1 414.550 0.831 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)cc1OC ZINC000671033334 1078971087 /nfs/dbraw/zinc/97/10/87/1078971087.db2.gz VFLNMPCYWBHYHA-UHFFFAOYSA-N 1 1 406.527 0.806 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000671033345 1078971225 /nfs/dbraw/zinc/97/12/25/1078971225.db2.gz YJQNKHKZZYDQQC-UHFFFAOYSA-N 1 1 401.555 0.869 20 0 HCADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000671033428 1078970100 /nfs/dbraw/zinc/97/01/00/1078970100.db2.gz MMMKIBIDCGVYIK-INIZCTEOSA-N 1 1 404.515 0.366 20 0 HCADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000671033429 1078970617 /nfs/dbraw/zinc/97/06/17/1078970617.db2.gz MMMKIBIDCGVYIK-MRXNPFEDSA-N 1 1 404.515 0.366 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671033509 1078970131 /nfs/dbraw/zinc/97/01/31/1078970131.db2.gz CBPNWDNTLSZZTI-UHFFFAOYSA-N 1 1 407.584 0.536 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033574 1078970181 /nfs/dbraw/zinc/97/01/81/1078970181.db2.gz HABRLWUEENCHCG-FQEVSTJZSA-N 1 1 412.538 0.884 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000671033576 1078970317 /nfs/dbraw/zinc/97/03/17/1078970317.db2.gz HABRLWUEENCHCG-HXUWFJFHSA-N 1 1 412.538 0.884 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033693 1078967458 /nfs/dbraw/zinc/96/74/58/1078967458.db2.gz AUEAKNLBAQKEDG-KRWDZBQOSA-N 1 1 419.501 0.191 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000671033694 1078967614 /nfs/dbraw/zinc/96/76/14/1078967614.db2.gz AUEAKNLBAQKEDG-QGZVFWFLSA-N 1 1 419.501 0.191 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033704 1078967336 /nfs/dbraw/zinc/96/73/36/1078967336.db2.gz DYBZWYXWXBMCDX-GOSISDBHSA-N 1 1 407.559 0.038 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671033705 1078967850 /nfs/dbraw/zinc/96/78/50/1078967850.db2.gz DYBZWYXWXBMCDX-SFHVURJKSA-N 1 1 407.559 0.038 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000671033716 1078967730 /nfs/dbraw/zinc/96/77/30/1078967730.db2.gz HQZOXMSFGOOUTI-UHFFFAOYSA-N 1 1 407.584 0.977 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033717 1078967365 /nfs/dbraw/zinc/96/73/65/1078967365.db2.gz IKJPNSGRSMBOLL-IBGZPJMESA-N 1 1 406.502 0.949 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000671033718 1078967968 /nfs/dbraw/zinc/96/79/68/1078967968.db2.gz IKJPNSGRSMBOLL-LJQANCHMSA-N 1 1 406.502 0.949 20 0 HCADMO C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000671033721 1078968432 /nfs/dbraw/zinc/96/84/32/1078968432.db2.gz KASSQSHEHRTQGS-FQEVSTJZSA-N 1 1 415.582 0.863 20 0 HCADMO CN(C)[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000671033738 1078963423 /nfs/dbraw/zinc/96/34/23/1078963423.db2.gz PABIGDNDABLLSF-IBGZPJMESA-N 1 1 407.534 0.688 20 0 HCADMO CN(C)[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)c1cccc(F)c1 ZINC000671033739 1078963731 /nfs/dbraw/zinc/96/37/31/1078963731.db2.gz PABIGDNDABLLSF-LJQANCHMSA-N 1 1 407.534 0.688 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C2 ZINC000671033760 1078964125 /nfs/dbraw/zinc/96/41/25/1078964125.db2.gz WKNGCJDXOOVIIA-KRWDZBQOSA-N 1 1 404.511 0.259 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)C2 ZINC000671033761 1078964418 /nfs/dbraw/zinc/96/44/18/1078964418.db2.gz WKNGCJDXOOVIIA-QGZVFWFLSA-N 1 1 404.511 0.259 20 0 HCADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671033769 1078964306 /nfs/dbraw/zinc/96/43/06/1078964306.db2.gz ZLNXZVKHQTUVOU-UHFFFAOYSA-N 1 1 401.555 0.475 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000671034211 1078969672 /nfs/dbraw/zinc/96/96/72/1078969672.db2.gz JAZOBNWMQIVQHR-KRWDZBQOSA-N 1 1 410.559 0.616 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000671034213 1078969072 /nfs/dbraw/zinc/96/90/72/1078969072.db2.gz JAZOBNWMQIVQHR-QGZVFWFLSA-N 1 1 410.559 0.616 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671034442 1078969451 /nfs/dbraw/zinc/96/94/51/1078969451.db2.gz LOHGOUZRVGMBMQ-GOSISDBHSA-N 1 1 404.559 0.790 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671034448 1078969430 /nfs/dbraw/zinc/96/94/30/1078969430.db2.gz LOHGOUZRVGMBMQ-SFHVURJKSA-N 1 1 404.559 0.790 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000671034631 1078968219 /nfs/dbraw/zinc/96/82/19/1078968219.db2.gz XXNSKWRHTNGYJE-UHFFFAOYSA-N 1 1 416.570 0.701 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671034645 1078968492 /nfs/dbraw/zinc/96/84/92/1078968492.db2.gz BBMFPENNLFNPIV-UHFFFAOYSA-N 1 1 421.611 0.926 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671034655 1078968273 /nfs/dbraw/zinc/96/82/73/1078968273.db2.gz CARXSNCUBXNUEO-UHFFFAOYSA-N 1 1 415.582 0.865 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671034674 1078968247 /nfs/dbraw/zinc/96/82/47/1078968247.db2.gz HWLFFRIYFYIQOJ-GOSISDBHSA-N 1 1 418.538 0.649 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671034675 1078968634 /nfs/dbraw/zinc/96/86/34/1078968634.db2.gz HWLFFRIYFYIQOJ-SFHVURJKSA-N 1 1 418.538 0.649 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671034713 1078972042 /nfs/dbraw/zinc/97/20/42/1078972042.db2.gz PMCSJHJVTMUYGM-IBGZPJMESA-N 1 1 421.586 0.428 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671034714 1078972076 /nfs/dbraw/zinc/97/20/76/1078972076.db2.gz PMCSJHJVTMUYGM-LJQANCHMSA-N 1 1 421.586 0.428 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671034769 1078972111 /nfs/dbraw/zinc/97/21/11/1078972111.db2.gz FMHKUPAQWFOKRM-GOSISDBHSA-N 1 1 402.543 0.310 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671034770 1078972339 /nfs/dbraw/zinc/97/23/39/1078972339.db2.gz FMHKUPAQWFOKRM-SFHVURJKSA-N 1 1 402.543 0.310 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671034779 1078972520 /nfs/dbraw/zinc/97/25/20/1078972520.db2.gz HWUXZUVZDFSULV-UHFFFAOYSA-N 1 1 405.543 0.857 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671034787 1078972388 /nfs/dbraw/zinc/97/23/88/1078972388.db2.gz KSRCCYDQSIXDJM-UHFFFAOYSA-N 1 1 401.555 0.652 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671034807 1078968591 /nfs/dbraw/zinc/96/85/91/1078968591.db2.gz NSJFDJNJYMOGJS-FQEVSTJZSA-N 1 1 401.555 0.823 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671034808 1078968510 /nfs/dbraw/zinc/96/85/10/1078968510.db2.gz NSJFDJNJYMOGJS-HXUWFJFHSA-N 1 1 401.555 0.823 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671034813 1078968615 /nfs/dbraw/zinc/96/86/15/1078968615.db2.gz OOPGWEXODFIJGL-CABCVRRESA-N 1 1 408.465 0.699 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671034814 1078968548 /nfs/dbraw/zinc/96/85/48/1078968548.db2.gz OOPGWEXODFIJGL-GJZGRUSLSA-N 1 1 408.465 0.699 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000671034815 1078968406 /nfs/dbraw/zinc/96/84/06/1078968406.db2.gz OOPGWEXODFIJGL-HUUCEWRRSA-N 1 1 408.465 0.699 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000671034816 1078968527 /nfs/dbraw/zinc/96/85/27/1078968527.db2.gz OOPGWEXODFIJGL-LSDHHAIUSA-N 1 1 408.465 0.699 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671034830 1078972136 /nfs/dbraw/zinc/97/21/36/1078972136.db2.gz QCLIRJBCWMNXKU-UHFFFAOYSA-N 1 1 415.538 0.396 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671034849 1078971896 /nfs/dbraw/zinc/97/18/96/1078971896.db2.gz UAHAALZCTARJNW-IBGZPJMESA-N 1 1 404.559 0.926 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671034850 1078971884 /nfs/dbraw/zinc/97/18/84/1078971884.db2.gz UAHAALZCTARJNW-LJQANCHMSA-N 1 1 404.559 0.926 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671034853 1078971962 /nfs/dbraw/zinc/97/19/62/1078971962.db2.gz URQGYLCVJYILEW-UHFFFAOYSA-N 1 1 424.590 0.173 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671035434 1078972706 /nfs/dbraw/zinc/97/27/06/1078972706.db2.gz KLRKGBGDVORDEC-HDICACEKSA-N 1 1 424.586 0.862 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2ccc3c(c2)OCCCO3)CC1 ZINC000671036314 1078973754 /nfs/dbraw/zinc/97/37/54/1078973754.db2.gz DKFPSJPUBXWQBV-UHFFFAOYSA-N 1 1 418.538 0.998 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671036315 1078973614 /nfs/dbraw/zinc/97/36/14/1078973614.db2.gz DKIOFGSOLMWGCE-UHFFFAOYSA-N 1 1 400.527 0.723 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000671036358 1078973926 /nfs/dbraw/zinc/97/39/26/1078973926.db2.gz RDGGTNVCKJUYLX-GOSISDBHSA-N 1 1 419.574 0.039 20 0 HCADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000671036359 1078973719 /nfs/dbraw/zinc/97/37/19/1078973719.db2.gz RDGGTNVCKJUYLX-SFHVURJKSA-N 1 1 419.574 0.039 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1OC ZINC000671037125 1078973832 /nfs/dbraw/zinc/97/38/32/1078973832.db2.gz HSOSXKMTIWGHFF-KRWDZBQOSA-N 1 1 418.538 0.647 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1OC ZINC000671037125 1078973825 /nfs/dbraw/zinc/97/38/25/1078973825.db2.gz HSOSXKMTIWGHFF-KRWDZBQOSA-N 1 1 418.538 0.647 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1OC ZINC000671037127 1078973664 /nfs/dbraw/zinc/97/36/64/1078973664.db2.gz HSOSXKMTIWGHFF-QGZVFWFLSA-N 1 1 418.538 0.647 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1OC ZINC000671037127 1078973658 /nfs/dbraw/zinc/97/36/58/1078973658.db2.gz HSOSXKMTIWGHFF-QGZVFWFLSA-N 1 1 418.538 0.647 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1OC ZINC000671037159 1078973588 /nfs/dbraw/zinc/97/35/88/1078973588.db2.gz PAJVWWXRMVPTPR-GOSISDBHSA-N 1 1 418.538 0.601 20 0 HCADMO COc1cccc(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1OC ZINC000671037160 1078973803 /nfs/dbraw/zinc/97/38/03/1078973803.db2.gz PAJVWWXRMVPTPR-SFHVURJKSA-N 1 1 418.538 0.601 20 0 HCADMO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671038705 1078974655 /nfs/dbraw/zinc/97/46/55/1078974655.db2.gz DGUYCUHCTWXKHA-PMACEKPBSA-N 1 1 400.523 0.777 20 0 HCADMO O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671038706 1078974605 /nfs/dbraw/zinc/97/46/05/1078974605.db2.gz DGUYCUHCTWXKHA-UXHICEINSA-N 1 1 400.523 0.777 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000671038707 1078974444 /nfs/dbraw/zinc/97/44/44/1078974444.db2.gz DGUYCUHCTWXKHA-VQTJNVASSA-N 1 1 400.523 0.777 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000671038708 1078974694 /nfs/dbraw/zinc/97/46/94/1078974694.db2.gz DGUYCUHCTWXKHA-WOJBJXKFSA-N 1 1 400.523 0.777 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671038959 1078976334 /nfs/dbraw/zinc/97/63/34/1078976334.db2.gz PRWBDIYUPZQJOW-HSALFYBXSA-N 1 1 400.523 0.919 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000671038960 1078976236 /nfs/dbraw/zinc/97/62/36/1078976236.db2.gz PRWBDIYUPZQJOW-SLFFLAALSA-N 1 1 400.523 0.919 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671038961 1078976344 /nfs/dbraw/zinc/97/63/44/1078976344.db2.gz PRWBDIYUPZQJOW-VAMGGRTRSA-N 1 1 400.523 0.919 20 0 HCADMO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000671038962 1078976915 /nfs/dbraw/zinc/97/69/15/1078976915.db2.gz PRWBDIYUPZQJOW-XUVXKRRUSA-N 1 1 400.523 0.919 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039374 1078978635 /nfs/dbraw/zinc/97/86/35/1078978635.db2.gz AYTKKFDEMZMUIO-AZUAARDMSA-N 1 1 402.539 0.976 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039375 1078978361 /nfs/dbraw/zinc/97/83/61/1078978361.db2.gz AYTKKFDEMZMUIO-ICSRJNTNSA-N 1 1 402.539 0.976 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039376 1078979082 /nfs/dbraw/zinc/97/90/82/1078979082.db2.gz AYTKKFDEMZMUIO-QUCCMNQESA-N 1 1 402.539 0.976 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000671039377 1078979265 /nfs/dbraw/zinc/97/92/65/1078979265.db2.gz AYTKKFDEMZMUIO-UYAOXDASSA-N 1 1 402.539 0.976 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000671039459 1078979429 /nfs/dbraw/zinc/97/94/29/1078979429.db2.gz CHCKYKOYHWQUHB-QXAKKESOSA-N 1 1 404.511 0.011 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000671039459 1078979419 /nfs/dbraw/zinc/97/94/19/1078979419.db2.gz CHCKYKOYHWQUHB-QXAKKESOSA-N 1 1 404.511 0.011 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671039466 1078979484 /nfs/dbraw/zinc/97/94/84/1078979484.db2.gz CHCKYKOYHWQUHB-UHOSZYNNSA-N 1 1 404.511 0.011 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671039466 1078979475 /nfs/dbraw/zinc/97/94/75/1078979475.db2.gz CHCKYKOYHWQUHB-UHOSZYNNSA-N 1 1 404.511 0.011 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671039468 1078979218 /nfs/dbraw/zinc/97/92/18/1078979218.db2.gz CHCKYKOYHWQUHB-WDSOQIARSA-N 1 1 404.511 0.011 20 0 HCADMO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000671039468 1078979205 /nfs/dbraw/zinc/97/92/05/1078979205.db2.gz CHCKYKOYHWQUHB-WDSOQIARSA-N 1 1 404.511 0.011 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000671039811 1078975703 /nfs/dbraw/zinc/97/57/03/1078975703.db2.gz NHGOMXXKHDFYMO-KRWDZBQOSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000671039811 1078975695 /nfs/dbraw/zinc/97/56/95/1078975695.db2.gz NHGOMXXKHDFYMO-KRWDZBQOSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000671039812 1078975800 /nfs/dbraw/zinc/97/58/00/1078975800.db2.gz NHGOMXXKHDFYMO-QGZVFWFLSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000671039812 1078975791 /nfs/dbraw/zinc/97/57/91/1078975791.db2.gz NHGOMXXKHDFYMO-QGZVFWFLSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671040361 1078978043 /nfs/dbraw/zinc/97/80/43/1078978043.db2.gz WAEZQQBLAQHBOX-KRWDZBQOSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671040361 1078978023 /nfs/dbraw/zinc/97/80/23/1078978023.db2.gz WAEZQQBLAQHBOX-KRWDZBQOSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671040362 1078978476 /nfs/dbraw/zinc/97/84/76/1078978476.db2.gz WAEZQQBLAQHBOX-QGZVFWFLSA-N 1 1 419.526 0.008 20 0 HCADMO COCCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671040362 1078978467 /nfs/dbraw/zinc/97/84/67/1078978467.db2.gz WAEZQQBLAQHBOX-QGZVFWFLSA-N 1 1 419.526 0.008 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000671041100 1078980885 /nfs/dbraw/zinc/98/08/85/1078980885.db2.gz MRQNWHLYYVVSJN-KRWDZBQOSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000671041100 1078980873 /nfs/dbraw/zinc/98/08/73/1078980873.db2.gz MRQNWHLYYVVSJN-KRWDZBQOSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cn1 ZINC000671041102 1078980750 /nfs/dbraw/zinc/98/07/50/1078980750.db2.gz MRQNWHLYYVVSJN-QGZVFWFLSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000671041102 1078980737 /nfs/dbraw/zinc/98/07/37/1078980737.db2.gz MRQNWHLYYVVSJN-QGZVFWFLSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000671041127 1078980107 /nfs/dbraw/zinc/98/01/07/1078980107.db2.gz PWJSRDDUHMABIL-GOSISDBHSA-N 1 1 403.527 0.723 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000671041128 1078979918 /nfs/dbraw/zinc/97/99/18/1078979918.db2.gz PWJSRDDUHMABIL-SFHVURJKSA-N 1 1 403.527 0.723 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000671041556 1078979397 /nfs/dbraw/zinc/97/93/97/1078979397.db2.gz FPFVSFSEUYHCSM-KRWDZBQOSA-N 1 1 417.510 0.250 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000671041558 1078979308 /nfs/dbraw/zinc/97/93/08/1078979308.db2.gz FPFVSFSEUYHCSM-QGZVFWFLSA-N 1 1 417.510 0.250 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671041749 1078980831 /nfs/dbraw/zinc/98/08/31/1078980831.db2.gz FZAHKOBVTFGMLV-KRWDZBQOSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671041749 1078980824 /nfs/dbraw/zinc/98/08/24/1078980824.db2.gz FZAHKOBVTFGMLV-KRWDZBQOSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671041751 1078980604 /nfs/dbraw/zinc/98/06/04/1078980604.db2.gz FZAHKOBVTFGMLV-QGZVFWFLSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671041751 1078980596 /nfs/dbraw/zinc/98/05/96/1078980596.db2.gz FZAHKOBVTFGMLV-QGZVFWFLSA-N 1 1 403.527 0.770 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000671041756 1078980466 /nfs/dbraw/zinc/98/04/66/1078980466.db2.gz MOSCYFQGXZMHAZ-KRWDZBQOSA-N 1 1 419.526 0.544 20 0 HCADMO CC(C)Oc1ccc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000671041759 1078980974 /nfs/dbraw/zinc/98/09/74/1078980974.db2.gz MOSCYFQGXZMHAZ-QGZVFWFLSA-N 1 1 419.526 0.544 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000671041837 1078980507 /nfs/dbraw/zinc/98/05/07/1078980507.db2.gz OUXZNKYEOLXBCY-UHFFFAOYSA-N 1 1 405.499 0.154 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042050 1078980531 /nfs/dbraw/zinc/98/05/31/1078980531.db2.gz AMGGGRMYBTZMQS-KRWDZBQOSA-N 1 1 405.543 0.875 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671042053 1078980687 /nfs/dbraw/zinc/98/06/87/1078980687.db2.gz AMGGGRMYBTZMQS-QGZVFWFLSA-N 1 1 405.543 0.875 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000671042280 1078982471 /nfs/dbraw/zinc/98/24/71/1078982471.db2.gz JXALXDUMWKSZNV-UHFFFAOYSA-N 1 1 405.499 0.108 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000671042989 1078981442 /nfs/dbraw/zinc/98/14/42/1078981442.db2.gz JOFJZNUAPSHMJD-UHFFFAOYSA-N 1 1 405.543 0.969 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000671042989 1078981435 /nfs/dbraw/zinc/98/14/35/1078981435.db2.gz JOFJZNUAPSHMJD-UHFFFAOYSA-N 1 1 405.543 0.969 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OC(C)C)CC1 ZINC000671043171 1078982965 /nfs/dbraw/zinc/98/29/65/1078982965.db2.gz LLRBKQWXBPVNOW-UHFFFAOYSA-N 1 1 419.526 0.592 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671043683 1078981971 /nfs/dbraw/zinc/98/19/71/1078981971.db2.gz ZUYVQSSGDGZEHM-GOSISDBHSA-N 1 1 403.527 0.723 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671043684 1078981999 /nfs/dbraw/zinc/98/19/99/1078981999.db2.gz ZUYVQSSGDGZEHM-SFHVURJKSA-N 1 1 403.527 0.723 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000671043973 1078982559 /nfs/dbraw/zinc/98/25/59/1078982559.db2.gz MUHFVZOLUGCNMY-KRWDZBQOSA-N 1 1 417.510 0.250 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000671043976 1078982834 /nfs/dbraw/zinc/98/28/34/1078982834.db2.gz MUHFVZOLUGCNMY-QGZVFWFLSA-N 1 1 417.510 0.250 20 0 HCADMO COCCOc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000671044644 1078983391 /nfs/dbraw/zinc/98/33/91/1078983391.db2.gz AKNCNYFTNGLAMK-DOTOQJQBSA-N 1 1 422.526 0.260 20 0 HCADMO COCCOc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000671044647 1078983505 /nfs/dbraw/zinc/98/35/05/1078983505.db2.gz AKNCNYFTNGLAMK-WBVHZDCISA-N 1 1 422.526 0.260 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000671044805 1078982893 /nfs/dbraw/zinc/98/28/93/1078982893.db2.gz RVDYIXVDBUHJRY-KRWDZBQOSA-N 1 1 419.526 0.544 20 0 HCADMO CC(C)Oc1ncccc1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000671044807 1078982645 /nfs/dbraw/zinc/98/26/45/1078982645.db2.gz RVDYIXVDBUHJRY-QGZVFWFLSA-N 1 1 419.526 0.544 20 0 HCADMO COCCOc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671048898 1078988679 /nfs/dbraw/zinc/98/86/79/1078988679.db2.gz XXCXAMAYVLMJJB-DOXZYTNZSA-N 1 1 423.510 0.733 20 0 HCADMO COCCOc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000671048898 1078988670 /nfs/dbraw/zinc/98/86/70/1078988670.db2.gz XXCXAMAYVLMJJB-DOXZYTNZSA-N 1 1 423.510 0.733 20 0 HCADMO COCCOc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000671048903 1078988590 /nfs/dbraw/zinc/98/85/90/1078988590.db2.gz XXCXAMAYVLMJJB-KHYOSLBOSA-N 1 1 423.510 0.733 20 0 HCADMO COCCOc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000671048903 1078988572 /nfs/dbraw/zinc/98/85/72/1078988572.db2.gz 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HCADMO CCCCOc1ncccc1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000671060422 1079004487 /nfs/dbraw/zinc/00/44/87/1079004487.db2.gz MCYPCEFSTVNZTR-UHFFFAOYSA-N 1 1 405.499 0.203 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000671060468 1079004389 /nfs/dbraw/zinc/00/43/89/1079004389.db2.gz SQYNZLHZUDWJOI-JOCHJYFZSA-N 1 1 414.506 0.014 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000671060469 1079004644 /nfs/dbraw/zinc/00/46/44/1079004644.db2.gz SQYNZLHZUDWJOI-QFIPXVFZSA-N 1 1 414.506 0.014 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000671060479 1079004504 /nfs/dbraw/zinc/00/45/04/1079004504.db2.gz VBYGSFZONRDNAP-CRAIPNDOSA-N 1 1 402.495 0.302 20 0 HCADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000671060480 1079004532 /nfs/dbraw/zinc/00/45/32/1079004532.db2.gz VBYGSFZONRDNAP-MAUKXSAKSA-N 1 1 402.495 0.302 20 0 HCADMO 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CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671062550 1079009824 /nfs/dbraw/zinc/00/98/24/1079009824.db2.gz OGQVIQWKOAMADJ-IBGZPJMESA-N 1 1 415.538 0.396 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671062554 1079009971 /nfs/dbraw/zinc/00/99/71/1079009971.db2.gz OGQVIQWKOAMADJ-LJQANCHMSA-N 1 1 415.538 0.396 20 0 HCADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000671062557 1079009883 /nfs/dbraw/zinc/00/98/83/1079009883.db2.gz PSOAFXZFXLCPEL-UHFFFAOYSA-N 1 1 409.575 0.426 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671062598 1079008943 /nfs/dbraw/zinc/00/89/43/1079008943.db2.gz SZRQUKZDNCAOOY-UHFFFAOYSA-N 1 1 419.526 0.430 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000671062601 1079008866 /nfs/dbraw/zinc/00/88/66/1079008866.db2.gz TWYRODAAWKMVKO-HNNXBMFYSA-N 1 1 404.515 0.223 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 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ZINC000671062800 1079008274 /nfs/dbraw/zinc/00/82/74/1079008274.db2.gz UIZVGIJIVAKFGL-DOTOQJQBSA-N 1 1 404.511 0.979 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671062801 1079008451 /nfs/dbraw/zinc/00/84/51/1079008451.db2.gz KUGXEPBTVOAMFS-QGZVFWFLSA-N 1 1 420.558 0.383 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1OCC(=O)NC ZINC000671062803 1079008896 /nfs/dbraw/zinc/00/88/96/1079008896.db2.gz UIZVGIJIVAKFGL-NVXWUHKLSA-N 1 1 404.511 0.979 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1OCC(=O)NC ZINC000671062805 1079008785 /nfs/dbraw/zinc/00/87/85/1079008785.db2.gz UIZVGIJIVAKFGL-RDJZCZTQSA-N 1 1 404.511 0.979 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1OCC(=O)NC ZINC000671062807 1079008911 /nfs/dbraw/zinc/00/89/11/1079008911.db2.gz UIZVGIJIVAKFGL-WBVHZDCISA-N 1 1 404.511 0.979 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671062869 1079007882 /nfs/dbraw/zinc/00/78/82/1079007882.db2.gz QERRNXYZQNMTIR-GOSISDBHSA-N 1 1 415.538 0.579 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671062874 1079007795 /nfs/dbraw/zinc/00/77/95/1079007795.db2.gz QERRNXYZQNMTIR-SFHVURJKSA-N 1 1 415.538 0.579 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)CC1 ZINC000671062877 1079007846 /nfs/dbraw/zinc/00/78/46/1079007846.db2.gz QMIDMZUAGMPTRV-AWEZNQCLSA-N 1 1 404.458 0.323 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)CC1 ZINC000671062880 1079008240 /nfs/dbraw/zinc/00/82/40/1079008240.db2.gz QMIDMZUAGMPTRV-CQSZACIVSA-N 1 1 404.458 0.323 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000671062913 1079008320 /nfs/dbraw/zinc/00/83/20/1079008320.db2.gz ZOBBHGLNXGZZRT-KRWDZBQOSA-N 1 1 406.483 0.286 20 0 HCADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000671062914 1079008254 /nfs/dbraw/zinc/00/82/54/1079008254.db2.gz ZOBBHGLNXGZZRT-QGZVFWFLSA-N 1 1 406.483 0.286 20 0 HCADMO CC[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccccc1OCC(=O)NC ZINC000671063326 1079011822 /nfs/dbraw/zinc/01/18/22/1079011822.db2.gz ZXADGJVRGLOYCW-INIZCTEOSA-N 1 1 422.551 0.544 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)c1ccccc1OCC(=O)NC ZINC000671063329 1079011929 /nfs/dbraw/zinc/01/19/29/1079011929.db2.gz ZXADGJVRGLOYCW-MRXNPFEDSA-N 1 1 422.551 0.544 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063446 1079011474 /nfs/dbraw/zinc/01/14/74/1079011474.db2.gz HNQPNTACDCPGAA-HFTRVMKXSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063446 1079011464 /nfs/dbraw/zinc/01/14/64/1079011464.db2.gz HNQPNTACDCPGAA-HFTRVMKXSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063448 1079011363 /nfs/dbraw/zinc/01/13/63/1079011363.db2.gz HNQPNTACDCPGAA-QILLFSRXSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063448 1079011356 /nfs/dbraw/zinc/01/13/56/1079011356.db2.gz HNQPNTACDCPGAA-QILLFSRXSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063449 1079011515 /nfs/dbraw/zinc/01/15/15/1079011515.db2.gz HNQPNTACDCPGAA-UWWQBHOKSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063449 1079011507 /nfs/dbraw/zinc/01/15/07/1079011507.db2.gz HNQPNTACDCPGAA-UWWQBHOKSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063450 1079011554 /nfs/dbraw/zinc/01/15/54/1079011554.db2.gz HNQPNTACDCPGAA-ZVZYQTTQSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1OCC(=O)NC ZINC000671063450 1079011545 /nfs/dbraw/zinc/01/15/45/1079011545.db2.gz HNQPNTACDCPGAA-ZVZYQTTQSA-N 1 1 420.510 0.214 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1OCC(=O)NC ZINC000671063586 1079011836 /nfs/dbraw/zinc/01/18/36/1079011836.db2.gz KFCUKOOVGFUFSZ-KRWDZBQOSA-N 1 1 404.511 0.933 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1OCC(=O)NC ZINC000671063587 1079011951 /nfs/dbraw/zinc/01/19/51/1079011951.db2.gz KFCUKOOVGFUFSZ-QGZVFWFLSA-N 1 1 404.511 0.933 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OCC(=O)NC ZINC000671063942 1079011123 /nfs/dbraw/zinc/01/11/23/1079011123.db2.gz NXGOIUJGWQZROH-FHLIZLRMSA-N 1 1 416.522 0.978 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OCC(=O)NC ZINC000671063943 1079010939 /nfs/dbraw/zinc/01/09/39/1079010939.db2.gz NXGOIUJGWQZROH-JCGIZDLHSA-N 1 1 416.522 0.978 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1OCC(=O)NC ZINC000671063944 1079010980 /nfs/dbraw/zinc/01/09/80/1079010980.db2.gz NXGOIUJGWQZROH-JLSDUUJJSA-N 1 1 416.522 0.978 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1OCC(=O)NC ZINC000671063945 1079011087 /nfs/dbraw/zinc/01/10/87/1079011087.db2.gz NXGOIUJGWQZROH-WBAXXEDZSA-N 1 1 416.522 0.978 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1OCC(=O)NC ZINC000671064197 1079013493 /nfs/dbraw/zinc/01/34/93/1079013493.db2.gz PKINXAQMQPOPPH-BPQIPLTHSA-N 1 1 416.522 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1OCC(=O)NC ZINC000671064198 1079013567 /nfs/dbraw/zinc/01/35/67/1079013567.db2.gz PKINXAQMQPOPPH-NJAFHUGGSA-N 1 1 416.522 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1OCC(=O)NC ZINC000671064199 1079013393 /nfs/dbraw/zinc/01/33/93/1079013393.db2.gz PKINXAQMQPOPPH-RYQLBKOJSA-N 1 1 416.522 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1OCC(=O)NC ZINC000671064200 1079013887 /nfs/dbraw/zinc/01/38/87/1079013887.db2.gz PKINXAQMQPOPPH-SZMVWBNQSA-N 1 1 416.522 0.931 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064217 1079013838 /nfs/dbraw/zinc/01/38/38/1079013838.db2.gz POINRGRRHGBPNT-PBHICJAKSA-N 1 1 402.495 0.732 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064218 1079014086 /nfs/dbraw/zinc/01/40/86/1079014086.db2.gz POINRGRRHGBPNT-RHSMWYFYSA-N 1 1 402.495 0.732 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064219 1079013908 /nfs/dbraw/zinc/01/39/08/1079013908.db2.gz POINRGRRHGBPNT-WMLDXEAASA-N 1 1 402.495 0.732 20 0 HCADMO CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064220 1079014054 /nfs/dbraw/zinc/01/40/54/1079014054.db2.gz POINRGRRHGBPNT-YOEHRIQHSA-N 1 1 402.495 0.732 20 0 HCADMO CC[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1OCC(=O)NC ZINC000671064353 1079013550 /nfs/dbraw/zinc/01/35/50/1079013550.db2.gz RYQXFIJLIAADBQ-GOSISDBHSA-N 1 1 416.522 0.933 20 0 HCADMO CC[C@H](NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)c1ccccc1OCC(=O)NC ZINC000671064354 1079013539 /nfs/dbraw/zinc/01/35/39/1079013539.db2.gz RYQXFIJLIAADBQ-SFHVURJKSA-N 1 1 416.522 0.933 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064503 1079013587 /nfs/dbraw/zinc/01/35/87/1079013587.db2.gz UVIKNNKIZIEGRT-CRAIPNDOSA-N 1 1 416.522 0.979 20 0 HCADMO CC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064504 1079013526 /nfs/dbraw/zinc/01/35/26/1079013526.db2.gz UVIKNNKIZIEGRT-MAUKXSAKSA-N 1 1 416.522 0.979 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064505 1079013419 /nfs/dbraw/zinc/01/34/19/1079013419.db2.gz UVIKNNKIZIEGRT-QAPCUYQASA-N 1 1 416.522 0.979 20 0 HCADMO CC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1OCC(=O)NC ZINC000671064506 1079013469 /nfs/dbraw/zinc/01/34/69/1079013469.db2.gz UVIKNNKIZIEGRT-YJBOKZPZSA-N 1 1 416.522 0.979 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000671071503 1079021184 /nfs/dbraw/zinc/02/11/84/1079021184.db2.gz CPGWWEPZYBHMJE-FQEVSTJZSA-N 1 1 420.583 0.003 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000671071504 1079021227 /nfs/dbraw/zinc/02/12/27/1079021227.db2.gz CPGWWEPZYBHMJE-HXUWFJFHSA-N 1 1 420.583 0.003 20 0 HCADMO CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671073418 1079022446 /nfs/dbraw/zinc/02/24/46/1079022446.db2.gz RKLGYIQQPDZCJL-IBGZPJMESA-N 1 1 400.523 0.865 20 0 HCADMO CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671073418 1079022437 /nfs/dbraw/zinc/02/24/37/1079022437.db2.gz RKLGYIQQPDZCJL-IBGZPJMESA-N 1 1 400.523 0.865 20 0 HCADMO CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671073419 1079023044 /nfs/dbraw/zinc/02/30/44/1079023044.db2.gz RKLGYIQQPDZCJL-LJQANCHMSA-N 1 1 400.523 0.865 20 0 HCADMO CN(C(=O)C(=O)NCc1ccc2c(c1)CCO2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671073419 1079023032 /nfs/dbraw/zinc/02/30/32/1079023032.db2.gz RKLGYIQQPDZCJL-LJQANCHMSA-N 1 1 400.523 0.865 20 0 HCADMO Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000671074141 1079023887 /nfs/dbraw/zinc/02/38/87/1079023887.db2.gz VYJYCLVXOPDTGK-UHFFFAOYSA-N 1 1 404.559 0.670 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074396 1079023365 /nfs/dbraw/zinc/02/33/65/1079023365.db2.gz ASGSRJPLYZMRMU-GOSISDBHSA-N 1 1 410.522 0.773 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074396 1079023354 /nfs/dbraw/zinc/02/33/54/1079023354.db2.gz ASGSRJPLYZMRMU-GOSISDBHSA-N 1 1 410.522 0.773 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074397 1079023603 /nfs/dbraw/zinc/02/36/03/1079023603.db2.gz ASGSRJPLYZMRMU-SFHVURJKSA-N 1 1 410.522 0.773 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000671074397 1079023590 /nfs/dbraw/zinc/02/35/90/1079023590.db2.gz ASGSRJPLYZMRMU-SFHVURJKSA-N 1 1 410.522 0.773 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3ccc(-n4cccn4)cc3)CC2)C1 ZINC000671074470 1079023944 /nfs/dbraw/zinc/02/39/44/1079023944.db2.gz VOXUYPJPHVVBAD-FQEVSTJZSA-N 1 1 410.522 0.727 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075341 1079024999 /nfs/dbraw/zinc/02/49/99/1079024999.db2.gz CLYTVBBPPIRZKC-DLBZAZTESA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075341 1079024992 /nfs/dbraw/zinc/02/49/92/1079024992.db2.gz CLYTVBBPPIRZKC-DLBZAZTESA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075344 1079024738 /nfs/dbraw/zinc/02/47/38/1079024738.db2.gz CLYTVBBPPIRZKC-IAGOWNOFSA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075344 1079024723 /nfs/dbraw/zinc/02/47/23/1079024723.db2.gz CLYTVBBPPIRZKC-IAGOWNOFSA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075346 1079025025 /nfs/dbraw/zinc/02/50/25/1079025025.db2.gz CLYTVBBPPIRZKC-IRXDYDNUSA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075346 1079025024 /nfs/dbraw/zinc/02/50/24/1079025024.db2.gz CLYTVBBPPIRZKC-IRXDYDNUSA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075348 1079024921 /nfs/dbraw/zinc/02/49/21/1079024921.db2.gz CLYTVBBPPIRZKC-SJORKVTESA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000671075348 1079024914 /nfs/dbraw/zinc/02/49/14/1079024914.db2.gz CLYTVBBPPIRZKC-SJORKVTESA-N 1 1 418.538 0.863 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000671075444 1079024270 /nfs/dbraw/zinc/02/42/70/1079024270.db2.gz KZJOLMYOJPTNSF-KRWDZBQOSA-N 1 1 406.527 0.675 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000671075445 1079024336 /nfs/dbraw/zinc/02/43/36/1079024336.db2.gz KZJOLMYOJPTNSF-QGZVFWFLSA-N 1 1 406.527 0.675 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671075710 1079023985 /nfs/dbraw/zinc/02/39/85/1079023985.db2.gz YHHORSQOFYYAQQ-MSOLQXFVSA-N 1 1 418.538 0.817 20 0 HCADMO COc1ccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671075711 1079024241 /nfs/dbraw/zinc/02/42/41/1079024241.db2.gz YHHORSQOFYYAQQ-QZTJIDSGSA-N 1 1 418.538 0.817 20 0 HCADMO COc1ccc(O[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671075712 1079024291 /nfs/dbraw/zinc/02/42/91/1079024291.db2.gz YHHORSQOFYYAQQ-ROUUACIJSA-N 1 1 418.538 0.817 20 0 HCADMO 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CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H]3CCCc4c3cnn4C)CC2)CC1 ZINC000671144980 1079075635 /nfs/dbraw/zinc/07/56/35/1079075635.db2.gz AOBNEDBWYQHWTJ-LJQANCHMSA-N 1 1 416.570 0.931 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671159133 1079084232 /nfs/dbraw/zinc/08/42/32/1079084232.db2.gz MPJZZPZVLGAANM-GOSISDBHSA-N 1 1 404.559 0.323 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671159133 1079084229 /nfs/dbraw/zinc/08/42/29/1079084229.db2.gz MPJZZPZVLGAANM-GOSISDBHSA-N 1 1 404.559 0.323 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671159134 1079084257 /nfs/dbraw/zinc/08/42/57/1079084257.db2.gz MPJZZPZVLGAANM-SFHVURJKSA-N 1 1 404.559 0.323 20 0 HCADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671159134 1079084255 /nfs/dbraw/zinc/08/42/55/1079084255.db2.gz MPJZZPZVLGAANM-SFHVURJKSA-N 1 1 404.559 0.323 20 0 HCADMO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000671160663 1079085985 /nfs/dbraw/zinc/08/59/85/1079085985.db2.gz HLHNLEGZRJENDQ-CYBMUJFWSA-N 1 1 408.449 0.782 20 0 HCADMO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000671160664 1079086021 /nfs/dbraw/zinc/08/60/21/1079086021.db2.gz HLHNLEGZRJENDQ-ZDUSSCGKSA-N 1 1 408.449 0.782 20 0 HCADMO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CN(C)CCO1 ZINC000671161046 1079083892 /nfs/dbraw/zinc/08/38/92/1079083892.db2.gz ISUNRLVRUUGODA-AUUYWEPGSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CN(C)CCO1 ZINC000671161047 1079083767 /nfs/dbraw/zinc/08/37/67/1079083767.db2.gz ISUNRLVRUUGODA-IFXJQAMLSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CN(C)CCO1 ZINC000671161048 1079084339 /nfs/dbraw/zinc/08/43/39/1079084339.db2.gz ISUNRLVRUUGODA-KUHUBIRLSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CN(C)CCO1 ZINC000671161049 1079084217 /nfs/dbraw/zinc/08/42/17/1079084217.db2.gz ISUNRLVRUUGODA-LIRRHRJNSA-N 1 1 424.492 0.881 20 0 HCADMO COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)c2c1 ZINC000671171353 1079091445 /nfs/dbraw/zinc/09/14/45/1079091445.db2.gz GOMAZSVNHRJHOJ-INIZCTEOSA-N 1 1 415.538 0.835 20 0 HCADMO COc1ccc2[nH]cc(CCNC(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)c2c1 ZINC000671171354 1079091426 /nfs/dbraw/zinc/09/14/26/1079091426.db2.gz GOMAZSVNHRJHOJ-MRXNPFEDSA-N 1 1 415.538 0.835 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671171408 1079091145 /nfs/dbraw/zinc/09/11/45/1079091145.db2.gz OJRHFLJCDVAIHW-AZUAARDMSA-N 1 1 402.539 0.976 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671171409 1079091339 /nfs/dbraw/zinc/09/13/39/1079091339.db2.gz OJRHFLJCDVAIHW-ICSRJNTNSA-N 1 1 402.539 0.976 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCCO[C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671171410 1079091404 /nfs/dbraw/zinc/09/14/04/1079091404.db2.gz OJRHFLJCDVAIHW-QUCCMNQESA-N 1 1 402.539 0.976 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000671171411 1079091107 /nfs/dbraw/zinc/09/11/07/1079091107.db2.gz OJRHFLJCDVAIHW-UYAOXDASSA-N 1 1 402.539 0.976 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000671171412 1079091084 /nfs/dbraw/zinc/09/10/84/1079091084.db2.gz PGSKRAOUTHVSKY-DOTOQJQBSA-N 1 1 423.508 0.659 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000671171413 1079091203 /nfs/dbraw/zinc/09/12/03/1079091203.db2.gz PGSKRAOUTHVSKY-NVXWUHKLSA-N 1 1 423.508 0.659 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000671171414 1079091227 /nfs/dbraw/zinc/09/12/27/1079091227.db2.gz PGSKRAOUTHVSKY-RDJZCZTQSA-N 1 1 423.508 0.659 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1)CN1CC[NH+](C)CC1 ZINC000671171415 1079091073 /nfs/dbraw/zinc/09/10/73/1079091073.db2.gz PGSKRAOUTHVSKY-WBVHZDCISA-N 1 1 423.508 0.659 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)CN1CC[NH+](C)CC1 ZINC000671171427 1079091058 /nfs/dbraw/zinc/09/10/58/1079091058.db2.gz QLEUYCAEFYAHPX-GOSISDBHSA-N 1 1 401.555 0.903 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1N1CCCC1)CN1CC[NH+](C)CC1 ZINC000671171428 1079091923 /nfs/dbraw/zinc/09/19/23/1079091923.db2.gz QLEUYCAEFYAHPX-SFHVURJKSA-N 1 1 401.555 0.903 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000671171511 1079090615 /nfs/dbraw/zinc/09/06/15/1079090615.db2.gz DCIWOWVFPKKUFG-GOSISDBHSA-N 1 1 401.555 0.555 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCCN1CCCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000671171512 1079090548 /nfs/dbraw/zinc/09/05/48/1079090548.db2.gz DCIWOWVFPKKUFG-SFHVURJKSA-N 1 1 401.555 0.555 20 0 HCADMO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000671171569 1079090743 /nfs/dbraw/zinc/09/07/43/1079090743.db2.gz NRTYSFRFEYXCAG-DOTOQJQBSA-N 1 1 404.511 0.635 20 0 HCADMO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000671171570 1079090788 /nfs/dbraw/zinc/09/07/88/1079090788.db2.gz NRTYSFRFEYXCAG-NVXWUHKLSA-N 1 1 404.511 0.635 20 0 HCADMO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000671171571 1079090521 /nfs/dbraw/zinc/09/05/21/1079090521.db2.gz NRTYSFRFEYXCAG-RDJZCZTQSA-N 1 1 404.511 0.635 20 0 HCADMO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000671171572 1079090575 /nfs/dbraw/zinc/09/05/75/1079090575.db2.gz NRTYSFRFEYXCAG-WBVHZDCISA-N 1 1 404.511 0.635 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000671171591 1079090654 /nfs/dbraw/zinc/09/06/54/1079090654.db2.gz QWATZBAREAUBDX-MSOLQXFVSA-N 1 1 419.545 0.863 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000671171592 1079090563 /nfs/dbraw/zinc/09/05/63/1079090563.db2.gz QWATZBAREAUBDX-QZTJIDSGSA-N 1 1 419.545 0.863 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000671171593 1079091287 /nfs/dbraw/zinc/09/12/87/1079091287.db2.gz QWATZBAREAUBDX-ROUUACIJSA-N 1 1 419.545 0.863 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2F)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000671171594 1079091174 /nfs/dbraw/zinc/09/11/74/1079091174.db2.gz QWATZBAREAUBDX-ZWKOTPCHSA-N 1 1 419.545 0.863 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000671171607 1079091362 /nfs/dbraw/zinc/09/13/62/1079091362.db2.gz SZEJQZBCGHFGGI-HKUYNNGSSA-N 1 1 406.527 0.787 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000671171608 1079091047 /nfs/dbraw/zinc/09/10/47/1079091047.db2.gz SZEJQZBCGHFGGI-IEBWSBKVSA-N 1 1 406.527 0.787 20 0 HCADMO C[C@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000671171609 1079091313 /nfs/dbraw/zinc/09/13/13/1079091313.db2.gz SZEJQZBCGHFGGI-MJGOQNOKSA-N 1 1 406.527 0.787 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)C[C@H]1CCCO1)CN1CC[NH+](C)CC1 ZINC000671171610 1079091259 /nfs/dbraw/zinc/09/12/59/1079091259.db2.gz SZEJQZBCGHFGGI-PKOBYXMFSA-N 1 1 406.527 0.787 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)CN1CC[NH+](C)CC1 ZINC000671171665 1079090639 /nfs/dbraw/zinc/09/06/39/1079090639.db2.gz FECWIOZXRSNASK-AWEZNQCLSA-N 1 1 406.918 0.604 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2n1)CN1CC[NH+](C)CC1 ZINC000671171666 1079090537 /nfs/dbraw/zinc/09/05/37/1079090537.db2.gz FECWIOZXRSNASK-CQSZACIVSA-N 1 1 406.918 0.604 20 0 HCADMO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000671171755 1079090722 /nfs/dbraw/zinc/09/07/22/1079090722.db2.gz DBZKEKZRLRUUBV-CRAIPNDOSA-N 1 1 404.511 0.635 20 0 HCADMO COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000671171756 1079090850 /nfs/dbraw/zinc/09/08/50/1079090850.db2.gz DBZKEKZRLRUUBV-MAUKXSAKSA-N 1 1 404.511 0.635 20 0 HCADMO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000671171757 1079090598 /nfs/dbraw/zinc/09/05/98/1079090598.db2.gz DBZKEKZRLRUUBV-QAPCUYQASA-N 1 1 404.511 0.635 20 0 HCADMO COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000671171758 1079090698 /nfs/dbraw/zinc/09/06/98/1079090698.db2.gz DBZKEKZRLRUUBV-YJBOKZPZSA-N 1 1 404.511 0.635 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)CN1CC[NH+](C)CC1 ZINC000671171816 1079090139 /nfs/dbraw/zinc/09/01/39/1079090139.db2.gz MUQKZBGYTXMUPB-KRWDZBQOSA-N 1 1 410.522 0.760 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1ncc(-c2ccccc2)cn1)CN1CC[NH+](C)CC1 ZINC000671171817 1079089950 /nfs/dbraw/zinc/08/99/50/1079089950.db2.gz MUQKZBGYTXMUPB-QGZVFWFLSA-N 1 1 410.522 0.760 20 0 HCADMO C[C@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000671171892 1079090174 /nfs/dbraw/zinc/09/01/74/1079090174.db2.gz CHAKUWQEXFMRSO-GFCCVEGCSA-N 1 1 404.437 0.055 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NCc1cn(C)nc1C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000671171893 1079090070 /nfs/dbraw/zinc/09/00/70/1079090070.db2.gz CHAKUWQEXFMRSO-LBPRGKRZSA-N 1 1 404.437 0.055 20 0 HCADMO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000671171916 1079090817 /nfs/dbraw/zinc/09/08/17/1079090817.db2.gz IFLVQKMVKDZNMZ-CVEARBPZSA-N 1 1 406.527 0.881 20 0 HCADMO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000671171917 1079090674 /nfs/dbraw/zinc/09/06/74/1079090674.db2.gz IFLVQKMVKDZNMZ-HOTGVXAUSA-N 1 1 406.527 0.881 20 0 HCADMO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000671171918 1079090765 /nfs/dbraw/zinc/09/07/65/1079090765.db2.gz IFLVQKMVKDZNMZ-HZPDHXFCSA-N 1 1 406.527 0.881 20 0 HCADMO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000671171919 1079090497 /nfs/dbraw/zinc/09/04/97/1079090497.db2.gz IFLVQKMVKDZNMZ-JKSUJKDBSA-N 1 1 406.527 0.881 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000671171991 1079090125 /nfs/dbraw/zinc/09/01/25/1079090125.db2.gz WSYQVUCZTJIDCY-INIZCTEOSA-N 1 1 406.527 0.662 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(OC)c1 ZINC000671171992 1079090191 /nfs/dbraw/zinc/09/01/91/1079090191.db2.gz WSYQVUCZTJIDCY-MRXNPFEDSA-N 1 1 406.527 0.662 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000671172032 1079090036 /nfs/dbraw/zinc/09/00/36/1079090036.db2.gz GJFDBMZZKMBZMT-INIZCTEOSA-N 1 1 406.527 0.662 20 0 HCADMO COc1ccc(CN(C)C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000671172033 1079090101 /nfs/dbraw/zinc/09/01/01/1079090101.db2.gz GJFDBMZZKMBZMT-MRXNPFEDSA-N 1 1 406.527 0.662 20 0 HCADMO C[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000671172123 1079093401 /nfs/dbraw/zinc/09/34/01/1079093401.db2.gz UYVIIEUHAYUERY-DLBZAZTESA-N 1 1 413.526 0.444 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)CN1CC[NH+](C)CC1 ZINC000671172124 1079093378 /nfs/dbraw/zinc/09/33/78/1079093378.db2.gz UYVIIEUHAYUERY-IAGOWNOFSA-N 1 1 413.526 0.444 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)CN1CC[NH+](C)CC1 ZINC000671172125 1079093543 /nfs/dbraw/zinc/09/35/43/1079093543.db2.gz UYVIIEUHAYUERY-IRXDYDNUSA-N 1 1 413.526 0.444 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)CN1CC[NH+](C)CC1 ZINC000671172126 1079093577 /nfs/dbraw/zinc/09/35/77/1079093577.db2.gz UYVIIEUHAYUERY-SJORKVTESA-N 1 1 413.526 0.444 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000671172207 1079093961 /nfs/dbraw/zinc/09/39/61/1079093961.db2.gz FGYVRTQRQORSHO-IBGZPJMESA-N 1 1 401.555 0.331 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000671172208 1079094019 /nfs/dbraw/zinc/09/40/19/1079094019.db2.gz FGYVRTQRQORSHO-LJQANCHMSA-N 1 1 401.555 0.331 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671172223 1079092785 /nfs/dbraw/zinc/09/27/85/1079092785.db2.gz MKDZNDSPJPTLCZ-DOTOQJQBSA-N 1 1 404.511 0.115 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671172224 1079092914 /nfs/dbraw/zinc/09/29/14/1079092914.db2.gz MKDZNDSPJPTLCZ-NVXWUHKLSA-N 1 1 404.511 0.115 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671172226 1079092939 /nfs/dbraw/zinc/09/29/39/1079092939.db2.gz MKDZNDSPJPTLCZ-RDJZCZTQSA-N 1 1 404.511 0.115 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C2 ZINC000671172227 1079092766 /nfs/dbraw/zinc/09/27/66/1079092766.db2.gz MKDZNDSPJPTLCZ-WBVHZDCISA-N 1 1 404.511 0.115 20 0 HCADMO C[C@@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)CN1CC[NH+](C)CC1 ZINC000671172293 1079093032 /nfs/dbraw/zinc/09/30/32/1079093032.db2.gz JDGGCOJNGZNYLP-INIZCTEOSA-N 1 1 407.584 0.833 20 0 HCADMO C[C@H](CNC(=O)C(=O)NC1CCN(c2cccs2)CC1)CN1CC[NH+](C)CC1 ZINC000671172300 1079092971 /nfs/dbraw/zinc/09/29/71/1079092971.db2.gz JDGGCOJNGZNYLP-MRXNPFEDSA-N 1 1 407.584 0.833 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000671172460 1079092298 /nfs/dbraw/zinc/09/22/98/1079092298.db2.gz JDTQQUJOUOYAEL-APWZRJJASA-N 1 1 406.502 0.805 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CC[C@H](Oc2cccc(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000671172461 1079092447 /nfs/dbraw/zinc/09/24/47/1079092447.db2.gz JDTQQUJOUOYAEL-LPHOPBHVSA-N 1 1 406.502 0.805 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](Oc2cccc(F)c2)C1)CN1CC[NH+](C)CC1 ZINC000671172462 1079092375 /nfs/dbraw/zinc/09/23/75/1079092375.db2.gz JDTQQUJOUOYAEL-QFBILLFUSA-N 1 1 406.502 0.805 20 0 HCADMO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000671172499 1079092285 /nfs/dbraw/zinc/09/22/85/1079092285.db2.gz VTXBLMDFPRYYAV-AEFFLSMTSA-N 1 1 420.558 0.023 20 0 HCADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000671172500 1079092726 /nfs/dbraw/zinc/09/27/26/1079092726.db2.gz VTXBLMDFPRYYAV-FUHWJXTLSA-N 1 1 420.558 0.023 20 0 HCADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000671172501 1079093006 /nfs/dbraw/zinc/09/30/06/1079093006.db2.gz VTXBLMDFPRYYAV-SJLPKXTDSA-N 1 1 420.558 0.023 20 0 HCADMO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000671172502 1079093066 /nfs/dbraw/zinc/09/30/66/1079093066.db2.gz VTXBLMDFPRYYAV-WMZOPIPTSA-N 1 1 420.558 0.023 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)CN1CC[NH+](C)CC1 ZINC000671172503 1079092803 /nfs/dbraw/zinc/09/28/03/1079092803.db2.gz VUEPYIFKLMVHMO-KRWDZBQOSA-N 1 1 407.584 0.392 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN(Cc2cccs2)CC1)CN1CC[NH+](C)CC1 ZINC000671172504 1079092353 /nfs/dbraw/zinc/09/23/53/1079092353.db2.gz VUEPYIFKLMVHMO-QGZVFWFLSA-N 1 1 407.584 0.392 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000671172682 1079094544 /nfs/dbraw/zinc/09/45/44/1079094544.db2.gz OIJWTXDZFYFMHI-AZUAARDMSA-N 1 1 412.538 0.740 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000671172683 1079094367 /nfs/dbraw/zinc/09/43/67/1079094367.db2.gz OIJWTXDZFYFMHI-ICSRJNTNSA-N 1 1 412.538 0.740 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000671172684 1079094414 /nfs/dbraw/zinc/09/44/14/1079094414.db2.gz OIJWTXDZFYFMHI-QUCCMNQESA-N 1 1 412.538 0.740 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000671172685 1079094529 /nfs/dbraw/zinc/09/45/29/1079094529.db2.gz OIJWTXDZFYFMHI-UYAOXDASSA-N 1 1 412.538 0.740 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)CN1CC[NH+](C)CC1 ZINC000671172743 1079091780 /nfs/dbraw/zinc/09/17/80/1079091780.db2.gz BHBQQDJJAYCFRD-FDDCHVKYSA-N 1 1 414.550 0.687 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)CN1CC[NH+](C)CC1 ZINC000671172744 1079092410 /nfs/dbraw/zinc/09/24/10/1079092410.db2.gz BHBQQDJJAYCFRD-JPYJTQIMSA-N 1 1 414.550 0.687 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)CN1CC[NH+](C)CC1 ZINC000671172745 1079092335 /nfs/dbraw/zinc/09/23/35/1079092335.db2.gz BHBQQDJJAYCFRD-MBSDFSHPSA-N 1 1 414.550 0.687 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCO[C@]2(CCc3ccccc32)C1)CN1CC[NH+](C)CC1 ZINC000671172746 1079092266 /nfs/dbraw/zinc/09/22/66/1079092266.db2.gz BHBQQDJJAYCFRD-WZONZLPQSA-N 1 1 414.550 0.687 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172879 1079094604 /nfs/dbraw/zinc/09/46/04/1079094604.db2.gz IEOYOOKPHWROJS-IBGZPJMESA-N 1 1 415.582 0.945 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CCCc3ccccc32)CC1 ZINC000671172880 1079094569 /nfs/dbraw/zinc/09/45/69/1079094569.db2.gz IEOYOOKPHWROJS-LJQANCHMSA-N 1 1 415.582 0.945 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172964 1079093947 /nfs/dbraw/zinc/09/39/47/1079093947.db2.gz XHSCNQNNKGQUBI-HNNXBMFYSA-N 1 1 403.518 0.222 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 ZINC000671172965 1079094029 /nfs/dbraw/zinc/09/40/29/1079094029.db2.gz XHSCNQNNKGQUBI-OAHLLOKOSA-N 1 1 403.518 0.222 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173044 1079093988 /nfs/dbraw/zinc/09/39/88/1079093988.db2.gz JBXPDLZPPPICMP-AEFFLSMTSA-N 1 1 404.559 0.646 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173045 1079093846 /nfs/dbraw/zinc/09/38/46/1079093846.db2.gz JBXPDLZPPPICMP-FUHWJXTLSA-N 1 1 404.559 0.646 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000671173046 1079093905 /nfs/dbraw/zinc/09/39/05/1079093905.db2.gz JBXPDLZPPPICMP-SJLPKXTDSA-N 1 1 404.559 0.646 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000671173047 1079094048 /nfs/dbraw/zinc/09/40/48/1079094048.db2.gz JBXPDLZPPPICMP-WMZOPIPTSA-N 1 1 404.559 0.646 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173173 1079093526 /nfs/dbraw/zinc/09/35/26/1079093526.db2.gz WHDNNVWHHNWJGL-GOSISDBHSA-N 1 1 410.559 0.174 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC3(CCOCC3)CC2)CC1 ZINC000671173176 1079093474 /nfs/dbraw/zinc/09/34/74/1079093474.db2.gz WHDNNVWHHNWJGL-SFHVURJKSA-N 1 1 410.559 0.174 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173181 1079094450 /nfs/dbraw/zinc/09/44/50/1079094450.db2.gz IUZPUVCINYDCBZ-MSOLQXFVSA-N 1 1 402.543 0.166 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173186 1079092844 /nfs/dbraw/zinc/09/28/44/1079092844.db2.gz IUZPUVCINYDCBZ-QZTJIDSGSA-N 1 1 402.543 0.166 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173188 1079094957 /nfs/dbraw/zinc/09/49/57/1079094957.db2.gz IUZPUVCINYDCBZ-ROUUACIJSA-N 1 1 402.543 0.166 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000671173189 1079095078 /nfs/dbraw/zinc/09/50/78/1079095078.db2.gz IUZPUVCINYDCBZ-ZWKOTPCHSA-N 1 1 402.543 0.166 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173193 1079094996 /nfs/dbraw/zinc/09/49/96/1079094996.db2.gz IZOUBFIVMBKDPV-APWZRJJASA-N 1 1 404.559 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000671173197 1079095139 /nfs/dbraw/zinc/09/51/39/1079095139.db2.gz IZOUBFIVMBKDPV-LPHOPBHVSA-N 1 1 404.559 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173199 1079095016 /nfs/dbraw/zinc/09/50/16/1079095016.db2.gz IZOUBFIVMBKDPV-QFBILLFUSA-N 1 1 404.559 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000671173200 1079095054 /nfs/dbraw/zinc/09/50/54/1079095054.db2.gz IZOUBFIVMBKDPV-VQIMIIECSA-N 1 1 404.559 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173239 1079096562 /nfs/dbraw/zinc/09/65/62/1079096562.db2.gz NHHKIJOUETXLTC-GOSISDBHSA-N 1 1 415.538 0.252 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000671173240 1079096519 /nfs/dbraw/zinc/09/65/19/1079096519.db2.gz NHHKIJOUETXLTC-SFHVURJKSA-N 1 1 415.538 0.252 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173296 1079096488 /nfs/dbraw/zinc/09/64/88/1079096488.db2.gz VERUNGFJTBSIDF-KRWDZBQOSA-N 1 1 424.590 0.029 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000671173297 1079096369 /nfs/dbraw/zinc/09/63/69/1079096369.db2.gz VERUNGFJTBSIDF-QGZVFWFLSA-N 1 1 424.590 0.029 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173470 1079096576 /nfs/dbraw/zinc/09/65/76/1079096576.db2.gz KTUVWSQVELGZGZ-KRWDZBQOSA-N 1 1 420.558 0.017 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC000671173471 1079096444 /nfs/dbraw/zinc/09/64/44/1079096444.db2.gz KTUVWSQVELGZGZ-QGZVFWFLSA-N 1 1 420.558 0.017 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173510 1079096474 /nfs/dbraw/zinc/09/64/74/1079096474.db2.gz WVRHDQPEHGQGIQ-INIZCTEOSA-N 1 1 406.502 0.937 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000671173511 1079096409 /nfs/dbraw/zinc/09/64/09/1079096409.db2.gz WVRHDQPEHGQGIQ-MRXNPFEDSA-N 1 1 406.502 0.937 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173516 1079096344 /nfs/dbraw/zinc/09/63/44/1079096344.db2.gz YCPDDILGLKCCNI-INIZCTEOSA-N 1 1 400.527 0.579 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2nn(C)c3ccccc23)CC1 ZINC000671173517 1079096547 /nfs/dbraw/zinc/09/65/47/1079096547.db2.gz YCPDDILGLKCCNI-MRXNPFEDSA-N 1 1 400.527 0.579 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173540 1079095494 /nfs/dbraw/zinc/09/54/94/1079095494.db2.gz DOUNPSLDOCVYIG-INIZCTEOSA-N 1 1 404.511 0.764 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 ZINC000671173541 1079095720 /nfs/dbraw/zinc/09/57/20/1079095720.db2.gz DOUNPSLDOCVYIG-MRXNPFEDSA-N 1 1 404.511 0.764 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173546 1079095692 /nfs/dbraw/zinc/09/56/92/1079095692.db2.gz FMZJJOVCYHSBRF-HNNXBMFYSA-N 1 1 405.543 0.713 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCc2c(C)cc(C)nc2OC)CC1 ZINC000671173547 1079095518 /nfs/dbraw/zinc/09/55/18/1079095518.db2.gz FMZJJOVCYHSBRF-OAHLLOKOSA-N 1 1 405.543 0.713 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173561 1079095468 /nfs/dbraw/zinc/09/54/68/1079095468.db2.gz HFGJPLIRTOZLFP-GOSISDBHSA-N 1 1 401.555 0.508 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000671173562 1079095382 /nfs/dbraw/zinc/09/53/82/1079095382.db2.gz HFGJPLIRTOZLFP-SFHVURJKSA-N 1 1 401.555 0.508 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173569 1079095645 /nfs/dbraw/zinc/09/56/45/1079095645.db2.gz IJUASLZBZNDFRK-FXAWDEMLSA-N 1 1 401.555 0.679 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173570 1079095610 /nfs/dbraw/zinc/09/56/10/1079095610.db2.gz IJUASLZBZNDFRK-PXNSSMCTSA-N 1 1 401.555 0.679 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173571 1079095401 /nfs/dbraw/zinc/09/54/01/1079095401.db2.gz IJUASLZBZNDFRK-XLIONFOSSA-N 1 1 401.555 0.679 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 ZINC000671173572 1079095912 /nfs/dbraw/zinc/09/59/12/1079095912.db2.gz IJUASLZBZNDFRK-YLJYHZDGSA-N 1 1 401.555 0.679 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173637 1079096000 /nfs/dbraw/zinc/09/60/00/1079096000.db2.gz AWZXYHZICSMNAV-HKUYNNGSSA-N 1 1 421.586 0.284 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173638 1079096053 /nfs/dbraw/zinc/09/60/53/1079096053.db2.gz AWZXYHZICSMNAV-IEBWSBKVSA-N 1 1 421.586 0.284 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173639 1079095876 /nfs/dbraw/zinc/09/58/76/1079095876.db2.gz AWZXYHZICSMNAV-MJGOQNOKSA-N 1 1 421.586 0.284 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000671173640 1079096021 /nfs/dbraw/zinc/09/60/21/1079096021.db2.gz AWZXYHZICSMNAV-PKOBYXMFSA-N 1 1 421.586 0.284 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173666 1079095965 /nfs/dbraw/zinc/09/59/65/1079095965.db2.gz FEBLOJAWXFFJEB-FQEVSTJZSA-N 1 1 415.582 0.721 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000671173667 1079096099 /nfs/dbraw/zinc/09/60/99/1079096099.db2.gz FEBLOJAWXFFJEB-HXUWFJFHSA-N 1 1 415.582 0.721 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173672 1079095122 /nfs/dbraw/zinc/09/51/22/1079095122.db2.gz FLLLXRVWGHCSIA-AEFFLSMTSA-N 1 1 418.538 0.505 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173673 1079094938 /nfs/dbraw/zinc/09/49/38/1079094938.db2.gz FLLLXRVWGHCSIA-FUHWJXTLSA-N 1 1 418.538 0.505 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173674 1079094982 /nfs/dbraw/zinc/09/49/82/1079094982.db2.gz FLLLXRVWGHCSIA-SJLPKXTDSA-N 1 1 418.538 0.505 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000671173675 1079095067 /nfs/dbraw/zinc/09/50/67/1079095067.db2.gz FLLLXRVWGHCSIA-WMZOPIPTSA-N 1 1 418.538 0.505 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173750 1079095540 /nfs/dbraw/zinc/09/55/40/1079095540.db2.gz VLYZQNIZPGGOQO-AEFFLSMTSA-N 1 1 406.527 0.878 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173751 1079095678 /nfs/dbraw/zinc/09/56/78/1079095678.db2.gz VLYZQNIZPGGOQO-FUHWJXTLSA-N 1 1 406.527 0.878 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000671173752 1079095579 /nfs/dbraw/zinc/09/55/79/1079095579.db2.gz VLYZQNIZPGGOQO-SJLPKXTDSA-N 1 1 406.527 0.878 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000671173753 1079095426 /nfs/dbraw/zinc/09/54/26/1079095426.db2.gz VLYZQNIZPGGOQO-WMZOPIPTSA-N 1 1 406.527 0.878 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173929 1079094898 /nfs/dbraw/zinc/09/48/98/1079094898.db2.gz YPFGSDFUHOKAJH-ILXRZTDVSA-N 1 1 408.465 0.554 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000671173930 1079094920 /nfs/dbraw/zinc/09/49/20/1079094920.db2.gz YPFGSDFUHOKAJH-KFWWJZLASA-N 1 1 408.465 0.554 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000671173931 1079095035 /nfs/dbraw/zinc/09/50/35/1079095035.db2.gz YPFGSDFUHOKAJH-QLFBSQMISA-N 1 1 408.465 0.554 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000671173932 1079095097 /nfs/dbraw/zinc/09/50/97/1079095097.db2.gz YPFGSDFUHOKAJH-RBSFLKMASA-N 1 1 408.465 0.554 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174306 1079097025 /nfs/dbraw/zinc/09/70/25/1079097025.db2.gz MUBYOZYZPBWUNA-AZUAARDMSA-N 1 1 401.555 0.862 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174308 1079097007 /nfs/dbraw/zinc/09/70/07/1079097007.db2.gz MUBYOZYZPBWUNA-ICSRJNTNSA-N 1 1 401.555 0.862 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000671174312 1079097088 /nfs/dbraw/zinc/09/70/88/1079097088.db2.gz MUBYOZYZPBWUNA-QUCCMNQESA-N 1 1 401.555 0.862 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174316 1079096977 /nfs/dbraw/zinc/09/69/77/1079096977.db2.gz DJSCYRCJQFPIFJ-MSOLQXFVSA-N 1 1 406.575 0.666 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000671174317 1079096867 /nfs/dbraw/zinc/09/68/67/1079096867.db2.gz MUBYOZYZPBWUNA-UYAOXDASSA-N 1 1 401.555 0.862 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174325 1079096847 /nfs/dbraw/zinc/09/68/47/1079096847.db2.gz DJSCYRCJQFPIFJ-QZTJIDSGSA-N 1 1 406.575 0.666 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000671174327 1079097048 /nfs/dbraw/zinc/09/70/48/1079097048.db2.gz DJSCYRCJQFPIFJ-ROUUACIJSA-N 1 1 406.575 0.666 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000671174328 1079096829 /nfs/dbraw/zinc/09/68/29/1079096829.db2.gz DJSCYRCJQFPIFJ-ZWKOTPCHSA-N 1 1 406.575 0.666 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174396 1079096962 /nfs/dbraw/zinc/09/69/62/1079096962.db2.gz LOSYKWYJRVXJIQ-GOSISDBHSA-N 1 1 421.611 0.782 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000671174399 1079096892 /nfs/dbraw/zinc/09/68/92/1079096892.db2.gz LOSYKWYJRVXJIQ-SFHVURJKSA-N 1 1 421.611 0.782 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H](C)Cn3cccn3)CC2)CC1 ZINC000671174840 1079094396 /nfs/dbraw/zinc/09/43/96/1079094396.db2.gz DSMOMYPJUBVETH-GOSISDBHSA-N 1 1 404.559 0.652 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](C)Cn3cccn3)CC2)CC1 ZINC000671174841 1079094510 /nfs/dbraw/zinc/09/45/10/1079094510.db2.gz DSMOMYPJUBVETH-SFHVURJKSA-N 1 1 404.559 0.652 20 0 HCADMO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1)S(C)(=O)=O ZINC000671181308 1079099964 /nfs/dbraw/zinc/09/99/64/1079099964.db2.gz LBOGQCBPOZMGOI-DLBZAZTESA-N 1 1 408.524 0.442 20 0 HCADMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1)S(C)(=O)=O ZINC000671181309 1079099825 /nfs/dbraw/zinc/09/98/25/1079099825.db2.gz LBOGQCBPOZMGOI-IAGOWNOFSA-N 1 1 408.524 0.442 20 0 HCADMO CN(c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1)S(C)(=O)=O ZINC000671181310 1079099840 /nfs/dbraw/zinc/09/98/40/1079099840.db2.gz LBOGQCBPOZMGOI-IRXDYDNUSA-N 1 1 408.524 0.442 20 0 HCADMO CN(c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1)S(C)(=O)=O ZINC000671181311 1079099940 /nfs/dbraw/zinc/09/99/40/1079099940.db2.gz LBOGQCBPOZMGOI-SJORKVTESA-N 1 1 408.524 0.442 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181330 1079099955 /nfs/dbraw/zinc/09/99/55/1079099955.db2.gz MLXYCNHYGNEDJN-MSOLQXFVSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181330 1079099952 /nfs/dbraw/zinc/09/99/52/1079099952.db2.gz MLXYCNHYGNEDJN-MSOLQXFVSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671181331 1079099807 /nfs/dbraw/zinc/09/98/07/1079099807.db2.gz MLXYCNHYGNEDJN-QZTJIDSGSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671181331 1079099797 /nfs/dbraw/zinc/09/97/97/1079099797.db2.gz MLXYCNHYGNEDJN-QZTJIDSGSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000671181332 1079099914 /nfs/dbraw/zinc/09/99/14/1079099914.db2.gz MLXYCNHYGNEDJN-ROUUACIJSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000671181332 1079099909 /nfs/dbraw/zinc/09/99/09/1079099909.db2.gz MLXYCNHYGNEDJN-ROUUACIJSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000671181333 1079099997 /nfs/dbraw/zinc/09/99/97/1079099997.db2.gz MLXYCNHYGNEDJN-ZWKOTPCHSA-N 1 1 400.527 0.193 20 0 HCADMO CN1CCN(c2ncccc2CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000671181333 1079099992 /nfs/dbraw/zinc/09/99/92/1079099992.db2.gz MLXYCNHYGNEDJN-ZWKOTPCHSA-N 1 1 400.527 0.193 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000671181545 1079099456 /nfs/dbraw/zinc/09/94/56/1079099456.db2.gz UHLDVBTZJONIKJ-DLBZAZTESA-N 1 1 408.524 0.095 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000671181546 1079099366 /nfs/dbraw/zinc/09/93/66/1079099366.db2.gz UHLDVBTZJONIKJ-IAGOWNOFSA-N 1 1 408.524 0.095 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000671181547 1079099897 /nfs/dbraw/zinc/09/98/97/1079099897.db2.gz UHLDVBTZJONIKJ-IRXDYDNUSA-N 1 1 408.524 0.095 20 0 HCADMO CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000671181548 1079100004 /nfs/dbraw/zinc/10/00/04/1079100004.db2.gz UHLDVBTZJONIKJ-SJORKVTESA-N 1 1 408.524 0.095 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000671181839 1079099474 /nfs/dbraw/zinc/09/94/74/1079099474.db2.gz YMMYOVGWXVOZHJ-KBPBESRZSA-N 1 1 414.553 0.194 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000671181840 1079099430 /nfs/dbraw/zinc/09/94/30/1079099430.db2.gz YMMYOVGWXVOZHJ-KGLIPLIRSA-N 1 1 414.553 0.194 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000671181841 1079099234 /nfs/dbraw/zinc/09/92/34/1079099234.db2.gz YMMYOVGWXVOZHJ-UONOGXRCSA-N 1 1 414.553 0.194 20 0 HCADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000671181842 1079099318 /nfs/dbraw/zinc/09/93/18/1079099318.db2.gz YMMYOVGWXVOZHJ-ZIAGYGMSSA-N 1 1 414.553 0.194 20 0 HCADMO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181866 1079099346 /nfs/dbraw/zinc/09/93/46/1079099346.db2.gz TWAIHYFGBFDJFR-MSOLQXFVSA-N 1 1 420.535 0.586 20 0 HCADMO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181867 1079099265 /nfs/dbraw/zinc/09/92/65/1079099265.db2.gz TWAIHYFGBFDJFR-QZTJIDSGSA-N 1 1 420.535 0.586 20 0 HCADMO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000671181868 1079099508 /nfs/dbraw/zinc/09/95/08/1079099508.db2.gz TWAIHYFGBFDJFR-ROUUACIJSA-N 1 1 420.535 0.586 20 0 HCADMO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000671181869 1079099299 /nfs/dbraw/zinc/09/92/99/1079099299.db2.gz TWAIHYFGBFDJFR-ZWKOTPCHSA-N 1 1 420.535 0.586 20 0 HCADMO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000671182239 1079101335 /nfs/dbraw/zinc/10/13/35/1079101335.db2.gz ZUKHWCIEVWYRHB-MSOLQXFVSA-N 1 1 400.527 0.992 20 0 HCADMO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000671182240 1079101267 /nfs/dbraw/zinc/10/12/67/1079101267.db2.gz ZUKHWCIEVWYRHB-QZTJIDSGSA-N 1 1 400.527 0.992 20 0 HCADMO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000671182241 1079101403 /nfs/dbraw/zinc/10/14/03/1079101403.db2.gz ZUKHWCIEVWYRHB-ROUUACIJSA-N 1 1 400.527 0.992 20 0 HCADMO CC(C)c1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000671182242 1079101423 /nfs/dbraw/zinc/10/14/23/1079101423.db2.gz ZUKHWCIEVWYRHB-ZWKOTPCHSA-N 1 1 400.527 0.992 20 0 HCADMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000671189323 1079105132 /nfs/dbraw/zinc/10/51/32/1079105132.db2.gz SADOGQIVBQOTLK-KRWDZBQOSA-N 1 1 413.521 0.924 20 0 HCADMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000671189324 1079105080 /nfs/dbraw/zinc/10/50/80/1079105080.db2.gz SADOGQIVBQOTLK-QGZVFWFLSA-N 1 1 413.521 0.924 20 0 HCADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([NH+]3CCC4(CCOCC4)CC3)C2=O)c1 ZINC000671191921 1079106514 /nfs/dbraw/zinc/10/65/14/1079106514.db2.gz VAWATKUFVMZXMW-INIZCTEOSA-N 1 1 407.492 0.859 20 0 HCADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([NH+]3CCC4(CCOCC4)CC3)C2=O)c1 ZINC000671191922 1079106474 /nfs/dbraw/zinc/10/64/74/1079106474.db2.gz VAWATKUFVMZXMW-MRXNPFEDSA-N 1 1 407.492 0.859 20 0 HCADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 ZINC000671204984 1079116272 /nfs/dbraw/zinc/11/62/72/1079116272.db2.gz XOTBIAMWVCCXTR-INIZCTEOSA-N 1 1 410.540 0.725 20 0 HCADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 ZINC000671204985 1079116360 /nfs/dbraw/zinc/11/63/60/1079116360.db2.gz XOTBIAMWVCCXTR-MRXNPFEDSA-N 1 1 410.540 0.725 20 0 HCADMO C[C@@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671209428 1079122484 /nfs/dbraw/zinc/12/24/84/1079122484.db2.gz JXRKZHBEQLCRAX-PBHICJAKSA-N 1 1 410.540 0.724 20 0 HCADMO C[C@@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671209428 1079122481 /nfs/dbraw/zinc/12/24/81/1079122481.db2.gz JXRKZHBEQLCRAX-PBHICJAKSA-N 1 1 410.540 0.724 20 0 HCADMO C[C@@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671209429 1079122358 /nfs/dbraw/zinc/12/23/58/1079122358.db2.gz JXRKZHBEQLCRAX-RHSMWYFYSA-N 1 1 410.540 0.724 20 0 HCADMO C[C@@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671209429 1079122355 /nfs/dbraw/zinc/12/23/55/1079122355.db2.gz JXRKZHBEQLCRAX-RHSMWYFYSA-N 1 1 410.540 0.724 20 0 HCADMO C[C@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671209430 1079122375 /nfs/dbraw/zinc/12/23/75/1079122375.db2.gz JXRKZHBEQLCRAX-WMLDXEAASA-N 1 1 410.540 0.724 20 0 HCADMO C[C@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671209430 1079122372 /nfs/dbraw/zinc/12/23/72/1079122372.db2.gz JXRKZHBEQLCRAX-WMLDXEAASA-N 1 1 410.540 0.724 20 0 HCADMO C[C@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671209431 1079122468 /nfs/dbraw/zinc/12/24/68/1079122468.db2.gz JXRKZHBEQLCRAX-YOEHRIQHSA-N 1 1 410.540 0.724 20 0 HCADMO C[C@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671209431 1079122463 /nfs/dbraw/zinc/12/24/63/1079122463.db2.gz JXRKZHBEQLCRAX-YOEHRIQHSA-N 1 1 410.540 0.724 20 0 HCADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000671238846 1079139703 /nfs/dbraw/zinc/13/97/03/1079139703.db2.gz LYCHFKSTHMYWNN-UHFFFAOYSA-N 1 1 407.496 0.509 20 0 HCADMO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239942 1079140212 /nfs/dbraw/zinc/14/02/12/1079140212.db2.gz PGTJOXFRTSGXQY-PMACEKPBSA-N 1 1 423.579 0.903 20 0 HCADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239943 1079140268 /nfs/dbraw/zinc/14/02/68/1079140268.db2.gz PGTJOXFRTSGXQY-UXHICEINSA-N 1 1 423.579 0.903 20 0 HCADMO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239944 1079140278 /nfs/dbraw/zinc/14/02/78/1079140278.db2.gz PGTJOXFRTSGXQY-VQTJNVASSA-N 1 1 423.579 0.903 20 0 HCADMO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239945 1079140175 /nfs/dbraw/zinc/14/01/75/1079140175.db2.gz PGTJOXFRTSGXQY-WOJBJXKFSA-N 1 1 423.579 0.903 20 0 HCADMO O=S1(=O)C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242233 1079139192 /nfs/dbraw/zinc/13/91/92/1079139192.db2.gz NCGCXBRBPAQBJT-ACRUOGEOSA-N 1 1 423.579 0.365 20 0 HCADMO O=S1(=O)C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](N2CCOCC2)C1 ZINC000671242234 1079139251 /nfs/dbraw/zinc/13/92/51/1079139251.db2.gz NCGCXBRBPAQBJT-HKBOAZHASA-N 1 1 423.579 0.365 20 0 HCADMO O=S1(=O)C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242235 1079139137 /nfs/dbraw/zinc/13/91/37/1079139137.db2.gz NCGCXBRBPAQBJT-PCCBWWKXSA-N 1 1 423.579 0.365 20 0 HCADMO O=S1(=O)C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](N2CCOCC2)C1 ZINC000671242236 1079139052 /nfs/dbraw/zinc/13/90/52/1079139052.db2.gz NCGCXBRBPAQBJT-QHAWAJNXSA-N 1 1 423.579 0.365 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000671244856 1079140298 /nfs/dbraw/zinc/14/02/98/1079140298.db2.gz RVWORLKYUSZNSG-JZXOWHBKSA-N 1 1 411.568 0.765 20 0 HCADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C[C@H](C)O1 ZINC000671244860 1079140907 /nfs/dbraw/zinc/14/09/07/1079140907.db2.gz RVWORLKYUSZNSG-SOLBZPMBSA-N 1 1 411.568 0.765 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CCCCC[C@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000671246016 1079140819 /nfs/dbraw/zinc/14/08/19/1079140819.db2.gz ABEHMNGZRLSXNQ-KRWDZBQOSA-N 1 1 414.506 0.987 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000671246016 1079140812 /nfs/dbraw/zinc/14/08/12/1079140812.db2.gz ABEHMNGZRLSXNQ-KRWDZBQOSA-N 1 1 414.506 0.987 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000671246023 1079140836 /nfs/dbraw/zinc/14/08/36/1079140836.db2.gz ABEHMNGZRLSXNQ-QGZVFWFLSA-N 1 1 414.506 0.987 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)c(N)n(Cc2ccccc2)c1=O ZINC000671246023 1079140834 /nfs/dbraw/zinc/14/08/34/1079140834.db2.gz ABEHMNGZRLSXNQ-QGZVFWFLSA-N 1 1 414.506 0.987 20 0 HCADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CCO)CC1 ZINC000671246744 1079140859 /nfs/dbraw/zinc/14/08/59/1079140859.db2.gz PAPJOXKNOSUROD-INIZCTEOSA-N 1 1 401.515 0.639 20 0 HCADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000671246745 1079140783 /nfs/dbraw/zinc/14/07/83/1079140783.db2.gz PAPJOXKNOSUROD-MRXNPFEDSA-N 1 1 401.515 0.639 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@]3(C2)CCCOC3)c(N)n(Cc2ccccc2)c1=O ZINC000671253519 1079141439 /nfs/dbraw/zinc/14/14/39/1079141439.db2.gz GTSNPLFDZQDVGI-JOCHJYFZSA-N 1 1 412.490 0.863 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(N)n(Cc2ccccc2)c1=O ZINC000671253519 1079141436 /nfs/dbraw/zinc/14/14/36/1079141436.db2.gz GTSNPLFDZQDVGI-JOCHJYFZSA-N 1 1 412.490 0.863 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)c(N)n(Cc2ccccc2)c1=O ZINC000671253522 1079141355 /nfs/dbraw/zinc/14/13/55/1079141355.db2.gz GTSNPLFDZQDVGI-QFIPXVFZSA-N 1 1 412.490 0.863 20 0 HCADMO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)c(N)n(Cc2ccccc2)c1=O ZINC000671253522 1079141352 /nfs/dbraw/zinc/14/13/52/1079141352.db2.gz GTSNPLFDZQDVGI-QFIPXVFZSA-N 1 1 412.490 0.863 20 0 HCADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000671257350 1079141317 /nfs/dbraw/zinc/14/13/17/1079141317.db2.gz BUGAYEJBIWCAAH-KRWDZBQOSA-N 1 1 400.479 0.950 20 0 HCADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000671257351 1079141496 /nfs/dbraw/zinc/14/14/96/1079141496.db2.gz BUGAYEJBIWCAAH-QGZVFWFLSA-N 1 1 400.479 0.950 20 0 HCADMO O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000671258667 1079142098 /nfs/dbraw/zinc/14/20/98/1079142098.db2.gz BEZNXIUXPCCNOP-AWEZNQCLSA-N 1 1 418.469 0.763 20 0 HCADMO O=C(Nc1ccc2c(c1F)CCNC2=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000671258668 1079141903 /nfs/dbraw/zinc/14/19/03/1079141903.db2.gz BEZNXIUXPCCNOP-CQSZACIVSA-N 1 1 418.469 0.763 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)C1 ZINC000671260455 1079143440 /nfs/dbraw/zinc/14/34/40/1079143440.db2.gz PQIPLLNVGLLYBY-AWEZNQCLSA-N 1 1 417.485 0.289 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CC2)C1 ZINC000671260456 1079143385 /nfs/dbraw/zinc/14/33/85/1079143385.db2.gz PQIPLLNVGLLYBY-CQSZACIVSA-N 1 1 417.485 0.289 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2c1=O ZINC000671260471 1079143462 /nfs/dbraw/zinc/14/34/62/1079143462.db2.gz ZGSGYYSSYMKGKF-GOSISDBHSA-N 1 1 411.506 0.715 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2c1=O ZINC000671260472 1079143496 /nfs/dbraw/zinc/14/34/96/1079143496.db2.gz ZGSGYYSSYMKGKF-SFHVURJKSA-N 1 1 411.506 0.715 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)cc1 ZINC000671262791 1079144816 /nfs/dbraw/zinc/14/48/16/1079144816.db2.gz UVLCHCPNXKWQOI-KBXCAEBGSA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cn2)cc1 ZINC000671262791 1079144810 /nfs/dbraw/zinc/14/48/10/1079144810.db2.gz UVLCHCPNXKWQOI-KBXCAEBGSA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)cc1 ZINC000671262792 1079144851 /nfs/dbraw/zinc/14/48/51/1079144851.db2.gz UVLCHCPNXKWQOI-KDOFPFPSSA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)cc1 ZINC000671262792 1079144849 /nfs/dbraw/zinc/14/48/49/1079144849.db2.gz UVLCHCPNXKWQOI-KDOFPFPSSA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cn2)cc1 ZINC000671262793 1079144886 /nfs/dbraw/zinc/14/48/86/1079144886.db2.gz UVLCHCPNXKWQOI-KSSFIOAISA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cn2)cc1 ZINC000671262793 1079144884 /nfs/dbraw/zinc/14/48/84/1079144884.db2.gz UVLCHCPNXKWQOI-KSSFIOAISA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cn2)cc1 ZINC000671262794 1079144932 /nfs/dbraw/zinc/14/49/32/1079144932.db2.gz UVLCHCPNXKWQOI-RDTXWAMCSA-N 1 1 401.467 0.714 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cn2)cc1 ZINC000671262794 1079144912 /nfs/dbraw/zinc/14/49/12/1079144912.db2.gz UVLCHCPNXKWQOI-RDTXWAMCSA-N 1 1 401.467 0.714 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(Cl)cc1C(N)=O ZINC000671263440 1079152877 /nfs/dbraw/zinc/15/28/77/1079152877.db2.gz XZURXGXHAUHKHT-CABCVRRESA-N 1 1 424.885 0.444 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(Cl)cc1C(N)=O ZINC000671263441 1079152932 /nfs/dbraw/zinc/15/29/32/1079152932.db2.gz XZURXGXHAUHKHT-GJZGRUSLSA-N 1 1 424.885 0.444 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(Cl)cc1C(N)=O ZINC000671263442 1079152894 /nfs/dbraw/zinc/15/28/94/1079152894.db2.gz XZURXGXHAUHKHT-HUUCEWRRSA-N 1 1 424.885 0.444 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(Cl)cc1C(N)=O ZINC000671263443 1079152832 /nfs/dbraw/zinc/15/28/32/1079152832.db2.gz XZURXGXHAUHKHT-LSDHHAIUSA-N 1 1 424.885 0.444 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn2)cc1 ZINC000671264680 1079152907 /nfs/dbraw/zinc/15/29/07/1079152907.db2.gz CLJMYVZAWFBPMD-UHFFFAOYSA-N 1 1 415.494 0.794 20 0 HCADMO COc1ccc(Cn2cc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn2)cc1 ZINC000671264680 1079152902 /nfs/dbraw/zinc/15/29/02/1079152902.db2.gz CLJMYVZAWFBPMD-UHFFFAOYSA-N 1 1 415.494 0.794 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc(Cl)cc1C(N)=O ZINC000671264705 1079153369 /nfs/dbraw/zinc/15/33/69/1079153369.db2.gz SLAHTSWJPFDUOX-UHFFFAOYSA-N 1 1 412.874 0.301 20 0 HCADMO COc1c(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc(Cl)cc1C(N)=O ZINC000671264705 1079153364 /nfs/dbraw/zinc/15/33/64/1079153364.db2.gz SLAHTSWJPFDUOX-UHFFFAOYSA-N 1 1 412.874 0.301 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2c1=O ZINC000671265042 1079150071 /nfs/dbraw/zinc/15/00/71/1079150071.db2.gz HMPUAAVGVNGEHK-KRWDZBQOSA-N 1 1 411.506 0.762 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2c1=O ZINC000671265042 1079150067 /nfs/dbraw/zinc/15/00/67/1079150067.db2.gz HMPUAAVGVNGEHK-KRWDZBQOSA-N 1 1 411.506 0.762 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc2c1=O ZINC000671265043 1079150130 /nfs/dbraw/zinc/15/01/30/1079150130.db2.gz HMPUAAVGVNGEHK-QGZVFWFLSA-N 1 1 411.506 0.762 20 0 HCADMO Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc2c1=O ZINC000671265043 1079150126 /nfs/dbraw/zinc/15/01/26/1079150126.db2.gz HMPUAAVGVNGEHK-QGZVFWFLSA-N 1 1 411.506 0.762 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265064 1079150023 /nfs/dbraw/zinc/15/00/23/1079150023.db2.gz NDSYTAWZONBBQS-CYBMUJFWSA-N 1 1 417.485 0.335 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265064 1079150020 /nfs/dbraw/zinc/15/00/20/1079150020.db2.gz NDSYTAWZONBBQS-CYBMUJFWSA-N 1 1 417.485 0.335 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265065 1079150169 /nfs/dbraw/zinc/15/01/69/1079150169.db2.gz NDSYTAWZONBBQS-ZDUSSCGKSA-N 1 1 417.485 0.335 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)CC1 ZINC000671265065 1079150166 /nfs/dbraw/zinc/15/01/66/1079150166.db2.gz NDSYTAWZONBBQS-ZDUSSCGKSA-N 1 1 417.485 0.335 20 0 HCADMO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000671265247 1079150676 /nfs/dbraw/zinc/15/06/76/1079150676.db2.gz KXNPIGWCNOLDTH-INIZCTEOSA-N 1 1 404.515 0.829 20 0 HCADMO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000671265247 1079150670 /nfs/dbraw/zinc/15/06/70/1079150670.db2.gz KXNPIGWCNOLDTH-INIZCTEOSA-N 1 1 404.515 0.829 20 0 HCADMO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)nn1 ZINC000671265251 1079150564 /nfs/dbraw/zinc/15/05/64/1079150564.db2.gz KXNPIGWCNOLDTH-MRXNPFEDSA-N 1 1 404.515 0.829 20 0 HCADMO CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nn1 ZINC000671265251 1079150563 /nfs/dbraw/zinc/15/05/63/1079150563.db2.gz KXNPIGWCNOLDTH-MRXNPFEDSA-N 1 1 404.515 0.829 20 0 HCADMO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671265305 1079150655 /nfs/dbraw/zinc/15/06/55/1079150655.db2.gz MLRFZLQBARJBRG-GOSISDBHSA-N 1 1 400.527 0.995 20 0 HCADMO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671265305 1079150653 /nfs/dbraw/zinc/15/06/53/1079150653.db2.gz MLRFZLQBARJBRG-GOSISDBHSA-N 1 1 400.527 0.995 20 0 HCADMO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671265306 1079150602 /nfs/dbraw/zinc/15/06/02/1079150602.db2.gz MLRFZLQBARJBRG-SFHVURJKSA-N 1 1 400.527 0.995 20 0 HCADMO CN(C(=O)C(=O)Nc1cnc(CC2CC2)nc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671265306 1079150599 /nfs/dbraw/zinc/15/05/99/1079150599.db2.gz MLRFZLQBARJBRG-SFHVURJKSA-N 1 1 400.527 0.995 20 0 HCADMO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000671265347 1079150630 /nfs/dbraw/zinc/15/06/30/1079150630.db2.gz JATQPUDFXLGHKS-LLVKDONJSA-N 1 1 421.445 0.623 20 0 HCADMO O=C(Nc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000671265348 1079150549 /nfs/dbraw/zinc/15/05/49/1079150549.db2.gz JATQPUDFXLGHKS-NSHDSACASA-N 1 1 421.445 0.623 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@@H]1C ZINC000671265498 1079150572 /nfs/dbraw/zinc/15/05/72/1079150572.db2.gz WSBHMVIBGOEWLC-KBPBESRZSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@@H]1C ZINC000671265498 1079150571 /nfs/dbraw/zinc/15/05/71/1079150571.db2.gz WSBHMVIBGOEWLC-KBPBESRZSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H]1C ZINC000671265499 1079150590 /nfs/dbraw/zinc/15/05/90/1079150590.db2.gz WSBHMVIBGOEWLC-KGLIPLIRSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H]1C ZINC000671265499 1079150587 /nfs/dbraw/zinc/15/05/87/1079150587.db2.gz WSBHMVIBGOEWLC-KGLIPLIRSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@@H]1C ZINC000671265500 1079150620 /nfs/dbraw/zinc/15/06/20/1079150620.db2.gz WSBHMVIBGOEWLC-UONOGXRCSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@@H]1C ZINC000671265500 1079150616 /nfs/dbraw/zinc/15/06/16/1079150616.db2.gz WSBHMVIBGOEWLC-UONOGXRCSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H]1C ZINC000671265501 1079150559 /nfs/dbraw/zinc/15/05/59/1079150559.db2.gz WSBHMVIBGOEWLC-ZIAGYGMSSA-N 1 1 403.483 0.124 20 0 HCADMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)C[C@H]1C ZINC000671265501 1079150557 /nfs/dbraw/zinc/15/05/57/1079150557.db2.gz WSBHMVIBGOEWLC-ZIAGYGMSSA-N 1 1 403.483 0.124 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3cc(C)nn3C)cc2)CC1 ZINC000671266990 1079151104 /nfs/dbraw/zinc/15/11/04/1079151104.db2.gz GZGFDLZOEGOTHH-UHFFFAOYSA-N 1 1 412.494 0.761 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000671268917 1079154924 /nfs/dbraw/zinc/15/49/24/1079154924.db2.gz ISYDNRXTWFRWIF-CVEARBPZSA-N 1 1 408.499 0.399 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000671268918 1079155090 /nfs/dbraw/zinc/15/50/90/1079155090.db2.gz ISYDNRXTWFRWIF-HOTGVXAUSA-N 1 1 408.499 0.399 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000671268919 1079154986 /nfs/dbraw/zinc/15/49/86/1079154986.db2.gz ISYDNRXTWFRWIF-HZPDHXFCSA-N 1 1 408.499 0.399 20 0 HCADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000671268920 1079155106 /nfs/dbraw/zinc/15/51/06/1079155106.db2.gz ISYDNRXTWFRWIF-JKSUJKDBSA-N 1 1 408.499 0.399 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC3(O)CCC3)cc2)CC1 ZINC000671277485 1079154478 /nfs/dbraw/zinc/15/44/78/1079154478.db2.gz NDRANGGOWGUYAT-UHFFFAOYSA-N 1 1 402.495 0.824 20 0 HCADMO COCC1(NC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CCC1 ZINC000671278421 1079154544 /nfs/dbraw/zinc/15/45/44/1079154544.db2.gz DAEGHZLRRPHBME-UHFFFAOYSA-N 1 1 404.511 0.937 20 0 HCADMO COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000671279687 1079159371 /nfs/dbraw/zinc/15/93/71/1079159371.db2.gz OICOUKWJJNBNGZ-GOSISDBHSA-N 1 1 402.499 0.811 20 0 HCADMO COc1ccc([C@H](CN(C)C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000671279688 1079159599 /nfs/dbraw/zinc/15/95/99/1079159599.db2.gz OICOUKWJJNBNGZ-SFHVURJKSA-N 1 1 402.499 0.811 20 0 HCADMO 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KKNIYLRWZNXNQK-QGZVFWFLSA-N 1 1 402.495 0.658 20 0 HCADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc3c2OCCCO3)CC1 ZINC000671351723 1079236746 /nfs/dbraw/zinc/23/67/46/1079236746.db2.gz IAYMVZHDVFGRKR-UHFFFAOYSA-N 1 1 418.494 0.133 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352027 1080079525 /nfs/dbraw/zinc/07/95/25/1080079525.db2.gz SHQDDBKEXLVDIL-KRWDZBQOSA-N 1 1 416.522 0.749 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352027 1080079508 /nfs/dbraw/zinc/07/95/08/1080079508.db2.gz SHQDDBKEXLVDIL-KRWDZBQOSA-N 1 1 416.522 0.749 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352028 1079236902 /nfs/dbraw/zinc/23/69/02/1079236902.db2.gz SHQDDBKEXLVDIL-QGZVFWFLSA-N 1 1 416.522 0.749 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCCCO4)C2)CC1 ZINC000671352028 1079236886 /nfs/dbraw/zinc/23/68/86/1079236886.db2.gz SHQDDBKEXLVDIL-QGZVFWFLSA-N 1 1 416.522 0.749 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3cccc4c3OCCCO4)CC2)C1 ZINC000671352043 1079237077 /nfs/dbraw/zinc/23/70/77/1079237077.db2.gz ZDGCIVUEBCFVRD-GOSISDBHSA-N 1 1 416.522 0.703 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc4c3OCCCO4)CC2)C1 ZINC000671352044 1079236963 /nfs/dbraw/zinc/23/69/63/1079236963.db2.gz ZDGCIVUEBCFVRD-SFHVURJKSA-N 1 1 416.522 0.703 20 0 HCADMO Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000671353134 1079238023 /nfs/dbraw/zinc/23/80/23/1079238023.db2.gz YJDBMUHLPCKTPI-INIZCTEOSA-N 1 1 404.559 0.923 20 0 HCADMO Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000671353135 1079237801 /nfs/dbraw/zinc/23/78/01/1079237801.db2.gz YJDBMUHLPCKTPI-MRXNPFEDSA-N 1 1 404.559 0.923 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000671356305 1079239996 /nfs/dbraw/zinc/23/99/96/1079239996.db2.gz KZZSKRBJJWSXAY-KRWDZBQOSA-N 1 1 402.495 0.213 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000671356307 1079240047 /nfs/dbraw/zinc/24/00/47/1079240047.db2.gz KZZSKRBJJWSXAY-QGZVFWFLSA-N 1 1 402.495 0.213 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000671357870 1079241613 /nfs/dbraw/zinc/24/16/13/1079241613.db2.gz WUVIIWHMGMVCTJ-IBGZPJMESA-N 1 1 412.538 0.886 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000671357870 1079241604 /nfs/dbraw/zinc/24/16/04/1079241604.db2.gz WUVIIWHMGMVCTJ-IBGZPJMESA-N 1 1 412.538 0.886 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000671357872 1079241366 /nfs/dbraw/zinc/24/13/66/1079241366.db2.gz WUVIIWHMGMVCTJ-LJQANCHMSA-N 1 1 412.538 0.886 20 0 HCADMO Cc1ccn2cc(CNC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000671357872 1079241354 /nfs/dbraw/zinc/24/13/54/1079241354.db2.gz WUVIIWHMGMVCTJ-LJQANCHMSA-N 1 1 412.538 0.886 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359662 1079248518 /nfs/dbraw/zinc/24/85/18/1079248518.db2.gz AKCORYSUOBGLIG-KRWDZBQOSA-N 1 1 407.559 0.226 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359662 1079248502 /nfs/dbraw/zinc/24/85/02/1079248502.db2.gz AKCORYSUOBGLIG-KRWDZBQOSA-N 1 1 407.559 0.226 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359665 1080253299 /nfs/dbraw/zinc/25/32/99/1080253299.db2.gz AKCORYSUOBGLIG-QGZVFWFLSA-N 1 1 407.559 0.226 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCC(=O)NC3CCCCC3)C2)CC1 ZINC000671359665 1080253287 /nfs/dbraw/zinc/25/32/87/1080253287.db2.gz AKCORYSUOBGLIG-QGZVFWFLSA-N 1 1 407.559 0.226 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)C1 ZINC000671359732 1080255047 /nfs/dbraw/zinc/25/50/47/1080255047.db2.gz JYPSTZCGAWHHOO-GOSISDBHSA-N 1 1 407.559 0.180 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)C1 ZINC000671359733 1079247786 /nfs/dbraw/zinc/24/77/86/1079247786.db2.gz JYPSTZCGAWHHOO-SFHVURJKSA-N 1 1 407.559 0.180 20 0 HCADMO COc1ccc(CCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671360621 1079249046 /nfs/dbraw/zinc/24/90/46/1079249046.db2.gz IAZOTDRCEFYSEU-IBGZPJMESA-N 1 1 402.539 0.982 20 0 HCADMO COc1ccc(CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000671360622 1079249085 /nfs/dbraw/zinc/24/90/85/1079249085.db2.gz IAZOTDRCEFYSEU-LJQANCHMSA-N 1 1 402.539 0.982 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000671361768 1079249788 /nfs/dbraw/zinc/24/97/88/1079249788.db2.gz PNDOSBOKQMGIKE-GOSISDBHSA-N 1 1 424.505 0.415 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000671361769 1079250058 /nfs/dbraw/zinc/25/00/58/1079250058.db2.gz PNDOSBOKQMGIKE-SFHVURJKSA-N 1 1 424.505 0.415 20 0 HCADMO Cc1nccc(CNC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)n1 ZINC000671361910 1080290606 /nfs/dbraw/zinc/29/06/06/1080290606.db2.gz IHXVVOSILOUFKP-UHFFFAOYSA-N 1 1 412.494 0.547 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000671362082 1079250627 /nfs/dbraw/zinc/25/06/27/1079250627.db2.gz VEYMYLBUWMVXPK-AWEZNQCLSA-N 1 1 411.300 0.506 20 0 HCADMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)C1 ZINC000671362083 1079250501 /nfs/dbraw/zinc/25/05/01/1079250501.db2.gz VEYMYLBUWMVXPK-CQSZACIVSA-N 1 1 411.300 0.506 20 0 HCADMO CCN(CCCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362557 1079252450 /nfs/dbraw/zinc/25/24/50/1079252450.db2.gz MVEKSNAFDZFJDX-GOSISDBHSA-N 1 1 424.567 0.507 20 0 HCADMO CCN(CCCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362559 1079252384 /nfs/dbraw/zinc/25/23/84/1079252384.db2.gz MVEKSNAFDZFJDX-SFHVURJKSA-N 1 1 424.567 0.507 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362681 1079251884 /nfs/dbraw/zinc/25/18/84/1079251884.db2.gz KDALRSMPGJXZAK-AEFFLSMTSA-N 1 1 424.567 0.553 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362682 1079251920 /nfs/dbraw/zinc/25/19/20/1079251920.db2.gz KDALRSMPGJXZAK-FUHWJXTLSA-N 1 1 424.567 0.553 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362683 1079251834 /nfs/dbraw/zinc/25/18/34/1079251834.db2.gz KDALRSMPGJXZAK-SJLPKXTDSA-N 1 1 424.567 0.553 20 0 HCADMO CCN(CCCNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000671362684 1079251619 /nfs/dbraw/zinc/25/16/19/1079251619.db2.gz KDALRSMPGJXZAK-WMZOPIPTSA-N 1 1 424.567 0.553 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)S(C)(=O)=O ZINC000671362914 1079251080 /nfs/dbraw/zinc/25/10/80/1079251080.db2.gz MCGHUFMPZOMVIX-GOSISDBHSA-N 1 1 424.567 0.555 20 0 HCADMO CCN(CCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)S(C)(=O)=O ZINC000671362915 1079251756 /nfs/dbraw/zinc/25/17/56/1079251756.db2.gz MCGHUFMPZOMVIX-SFHVURJKSA-N 1 1 424.567 0.555 20 0 HCADMO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671363901 1079254123 /nfs/dbraw/zinc/25/41/23/1079254123.db2.gz CUDRWOOPEXBFHU-AEFFLSMTSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671363902 1080307674 /nfs/dbraw/zinc/30/76/74/1080307674.db2.gz CUDRWOOPEXBFHU-FUHWJXTLSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671363903 1079253639 /nfs/dbraw/zinc/25/36/39/1079253639.db2.gz CUDRWOOPEXBFHU-SJLPKXTDSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000671363904 1080307854 /nfs/dbraw/zinc/30/78/54/1080307854.db2.gz CUDRWOOPEXBFHU-WMZOPIPTSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671363913 1079253814 /nfs/dbraw/zinc/25/38/14/1079253814.db2.gz GLMRSHVGFFXUDO-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671363913 1079253806 /nfs/dbraw/zinc/25/38/06/1079253806.db2.gz GLMRSHVGFFXUDO-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671363914 1079253884 /nfs/dbraw/zinc/25/38/84/1079253884.db2.gz GLMRSHVGFFXUDO-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671363914 1079253876 /nfs/dbraw/zinc/25/38/76/1079253876.db2.gz GLMRSHVGFFXUDO-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671363915 1079254055 /nfs/dbraw/zinc/25/40/55/1079254055.db2.gz GLMRSHVGFFXUDO-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671363915 1079254043 /nfs/dbraw/zinc/25/40/43/1079254043.db2.gz GLMRSHVGFFXUDO-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO 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424.567 0.935 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000671404593 1079289306 /nfs/dbraw/zinc/28/93/06/1079289306.db2.gz ONCPTRBAOJCHNH-JKSUJKDBSA-N 1 1 424.567 0.935 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404598 1079288808 /nfs/dbraw/zinc/28/88/08/1079288808.db2.gz OWAPVADYKBYZLF-BRWVUGGUSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404609 1079288620 /nfs/dbraw/zinc/28/86/20/1079288620.db2.gz OWAPVADYKBYZLF-IKGGRYGDSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404610 1079288680 /nfs/dbraw/zinc/28/86/80/1079288680.db2.gz OWAPVADYKBYZLF-IXDOHACOSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000671404611 1079288780 /nfs/dbraw/zinc/28/87/80/1079288780.db2.gz OWAPVADYKBYZLF-ZACQAIPSSA-N 1 1 415.538 0.717 20 0 HCADMO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000671404995 1079288011 /nfs/dbraw/zinc/28/80/11/1079288011.db2.gz CJRFXJGYXSRKSL-INIZCTEOSA-N 1 1 410.540 0.542 20 0 HCADMO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000671404996 1079288048 /nfs/dbraw/zinc/28/80/48/1079288048.db2.gz CJRFXJGYXSRKSL-MRXNPFEDSA-N 1 1 410.540 0.542 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1F ZINC000671405244 1079287999 /nfs/dbraw/zinc/28/79/99/1079287999.db2.gz HHAZKYWDUBSIRQ-ACJLOTCBSA-N 1 1 403.458 0.771 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1F ZINC000671405245 1079288083 /nfs/dbraw/zinc/28/80/83/1079288083.db2.gz HHAZKYWDUBSIRQ-FZKQIMNGSA-N 1 1 403.458 0.771 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1F ZINC000671405246 1079288146 /nfs/dbraw/zinc/28/81/46/1079288146.db2.gz HHAZKYWDUBSIRQ-SCLBCKFNSA-N 1 1 403.458 0.771 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1F ZINC000671405247 1079288064 /nfs/dbraw/zinc/28/80/64/1079288064.db2.gz HHAZKYWDUBSIRQ-UGSOOPFHSA-N 1 1 403.458 0.771 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406202 1079288543 /nfs/dbraw/zinc/28/85/43/1079288543.db2.gz ODTWMEWHXJFLCN-CALCHBBNSA-N 1 1 424.586 0.860 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406758 1079290038 /nfs/dbraw/zinc/29/00/38/1079290038.db2.gz YIOBMCKQNHQILD-BBWFWOEESA-N 1 1 410.559 0.470 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000671406760 1079290007 /nfs/dbraw/zinc/29/00/07/1079290007.db2.gz YIOBMCKQNHQILD-IXDOHACOSA-N 1 1 410.559 0.470 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000671407460 1079290657 /nfs/dbraw/zinc/29/06/57/1079290657.db2.gz PMVZVTARUAPYPS-INIZCTEOSA-N 1 1 410.559 0.614 20 0 HCADMO COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000671407461 1079290815 /nfs/dbraw/zinc/29/08/15/1079290815.db2.gz PMVZVTARUAPYPS-MRXNPFEDSA-N 1 1 410.559 0.614 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3ccoc3C)CC2)CC1 ZINC000671409914 1079291397 /nfs/dbraw/zinc/29/13/97/1079291397.db2.gz GVJKJFOQEPAFBB-UHFFFAOYSA-N 1 1 404.511 0.997 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000671415009 1079296976 /nfs/dbraw/zinc/29/69/76/1079296976.db2.gz VBESGPHIFJVFLA-CGTJXYLNSA-N 1 1 422.551 0.478 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000671415012 1079296535 /nfs/dbraw/zinc/29/65/35/1079296535.db2.gz VBESGPHIFJVFLA-KBAYOESNSA-N 1 1 422.551 0.478 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000671415014 1079296381 /nfs/dbraw/zinc/29/63/81/1079296381.db2.gz VBESGPHIFJVFLA-RYQLBKOJSA-N 1 1 422.551 0.478 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000671416561 1079304424 /nfs/dbraw/zinc/30/44/24/1079304424.db2.gz GHJJOZGDVIZUGK-HKUYNNGSSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000671416561 1079304418 /nfs/dbraw/zinc/30/44/18/1079304418.db2.gz GHJJOZGDVIZUGK-HKUYNNGSSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000671416562 1079304379 /nfs/dbraw/zinc/30/43/79/1079304379.db2.gz GHJJOZGDVIZUGK-IEBWSBKVSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000671416562 1079304373 /nfs/dbraw/zinc/30/43/73/1079304373.db2.gz GHJJOZGDVIZUGK-IEBWSBKVSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000671416563 1079304262 /nfs/dbraw/zinc/30/42/62/1079304262.db2.gz GHJJOZGDVIZUGK-MJGOQNOKSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000671416563 1079304254 /nfs/dbraw/zinc/30/42/54/1079304254.db2.gz GHJJOZGDVIZUGK-MJGOQNOKSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC000671416564 1079304229 /nfs/dbraw/zinc/30/42/29/1079304229.db2.gz GHJJOZGDVIZUGK-PKOBYXMFSA-N 1 1 403.523 0.995 20 0 HCADMO Cc1ccccc1C1(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC000671416564 1079304221 /nfs/dbraw/zinc/30/42/21/1079304221.db2.gz GHJJOZGDVIZUGK-PKOBYXMFSA-N 1 1 403.523 0.995 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CCOCC2)cc1 ZINC000671417419 1079306395 /nfs/dbraw/zinc/30/63/95/1079306395.db2.gz KARCSAJUPZRPEJ-APWZRJJASA-N 1 1 419.522 0.695 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CCOCC2)cc1 ZINC000671417419 1079306387 /nfs/dbraw/zinc/30/63/87/1079306387.db2.gz KARCSAJUPZRPEJ-APWZRJJASA-N 1 1 419.522 0.695 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CCOCC2)cc1 ZINC000671417421 1079306450 /nfs/dbraw/zinc/30/64/50/1079306450.db2.gz KARCSAJUPZRPEJ-QFBILLFUSA-N 1 1 419.522 0.695 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CCOCC2)cc1 ZINC000671417421 1079306445 /nfs/dbraw/zinc/30/64/45/1079306445.db2.gz KARCSAJUPZRPEJ-QFBILLFUSA-N 1 1 419.522 0.695 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CCOCC2)cc1 ZINC000671417422 1079306515 /nfs/dbraw/zinc/30/65/15/1079306515.db2.gz KARCSAJUPZRPEJ-VQIMIIECSA-N 1 1 419.522 0.695 20 0 HCADMO COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CCOCC2)cc1 ZINC000671417422 1079306509 /nfs/dbraw/zinc/30/65/09/1079306509.db2.gz KARCSAJUPZRPEJ-VQIMIIECSA-N 1 1 419.522 0.695 20 0 HCADMO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671417689 1079305525 /nfs/dbraw/zinc/30/55/25/1079305525.db2.gz CDFZBSDMFDXTME-BBRMVZONSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671417690 1079305551 /nfs/dbraw/zinc/30/55/51/1079305551.db2.gz CDFZBSDMFDXTME-CJNGLKHVSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671417691 1079305679 /nfs/dbraw/zinc/30/56/79/1079305679.db2.gz CDFZBSDMFDXTME-CZUORRHYSA-N 1 1 408.524 0.372 20 0 HCADMO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000671417692 1079305760 /nfs/dbraw/zinc/30/57/60/1079305760.db2.gz CDFZBSDMFDXTME-XJKSGUPXSA-N 1 1 408.524 0.372 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419144 1079306976 /nfs/dbraw/zinc/30/69/76/1079306976.db2.gz BANLZTOQGYABFK-GOSISDBHSA-N 1 1 408.930 0.728 20 0 HCADMO C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000671419145 1079307111 /nfs/dbraw/zinc/30/71/11/1079307111.db2.gz BANLZTOQGYABFK-SFHVURJKSA-N 1 1 408.930 0.728 20 0 HCADMO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000671425912 1079323737 /nfs/dbraw/zinc/32/37/37/1079323737.db2.gz XCSXRLDXBDTNLD-KRWDZBQOSA-N 1 1 410.540 0.341 20 0 HCADMO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000671425915 1079323708 /nfs/dbraw/zinc/32/37/08/1079323708.db2.gz XCSXRLDXBDTNLD-QGZVFWFLSA-N 1 1 410.540 0.341 20 0 HCADMO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000671646911 1079581996 /nfs/dbraw/zinc/58/19/96/1079581996.db2.gz RDPMERUVNMWESL-AWEZNQCLSA-N 1 1 407.496 0.164 20 0 HCADMO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000671646912 1079582063 /nfs/dbraw/zinc/58/20/63/1079582063.db2.gz RDPMERUVNMWESL-CQSZACIVSA-N 1 1 407.496 0.164 20 0 HCADMO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000671672503 1079707860 /nfs/dbraw/zinc/70/78/60/1079707860.db2.gz DCBBWTBRIFANGO-HNNXBMFYSA-N 1 1 421.523 0.555 20 0 HCADMO 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HSWKYWHTKSGYDG-KRWDZBQOSA-N 1 1 403.527 0.562 20 0 HCADMO COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000671965578 1080181016 /nfs/dbraw/zinc/18/10/16/1080181016.db2.gz HSWKYWHTKSGYDG-QGZVFWFLSA-N 1 1 403.527 0.562 20 0 HCADMO COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000671966198 1080182036 /nfs/dbraw/zinc/18/20/36/1080182036.db2.gz JXVWBFHGMUIVQQ-UHFFFAOYSA-N 1 1 405.543 0.808 20 0 HCADMO COc1nc(C)cc(C)c1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000671966198 1080182029 /nfs/dbraw/zinc/18/20/29/1080182029.db2.gz JXVWBFHGMUIVQQ-UHFFFAOYSA-N 1 1 405.543 0.808 20 0 HCADMO COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000671966669 1080182072 /nfs/dbraw/zinc/18/20/72/1080182072.db2.gz OAXUBNJZGHQYGK-GOSISDBHSA-N 1 1 417.554 0.952 20 0 HCADMO COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000671966670 1080182084 /nfs/dbraw/zinc/18/20/84/1080182084.db2.gz OAXUBNJZGHQYGK-SFHVURJKSA-N 1 1 417.554 0.952 20 0 HCADMO CCc1nc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000671969615 1080183645 /nfs/dbraw/zinc/18/36/45/1080183645.db2.gz XPHRRMXTGXZNHJ-KRWDZBQOSA-N 1 1 407.584 0.991 20 0 HCADMO CCc1nc(CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000671969615 1080183627 /nfs/dbraw/zinc/18/36/27/1080183627.db2.gz XPHRRMXTGXZNHJ-KRWDZBQOSA-N 1 1 407.584 0.991 20 0 HCADMO CCc1nc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000671969616 1080183488 /nfs/dbraw/zinc/18/34/88/1080183488.db2.gz XPHRRMXTGXZNHJ-QGZVFWFLSA-N 1 1 407.584 0.991 20 0 HCADMO CCc1nc(CCNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cs1 ZINC000671969616 1080183474 /nfs/dbraw/zinc/18/34/74/1080183474.db2.gz XPHRRMXTGXZNHJ-QGZVFWFLSA-N 1 1 407.584 0.991 20 0 HCADMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000671972760 1080180504 /nfs/dbraw/zinc/18/05/04/1080180504.db2.gz KLRNBZBENQAPIK-LASHMREHSA-N 1 1 410.518 0.750 20 0 HCADMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000671972762 1080179871 /nfs/dbraw/zinc/17/98/71/1080179871.db2.gz KLRNBZBENQAPIK-OMQSBVIBSA-N 1 1 410.518 0.750 20 0 HCADMO O=C(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000671972764 1080180170 /nfs/dbraw/zinc/18/01/70/1080180170.db2.gz KLRNBZBENQAPIK-OUUBHVDSSA-N 1 1 410.518 0.750 20 0 HCADMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000671972766 1080180066 /nfs/dbraw/zinc/18/00/66/1080180066.db2.gz KLRNBZBENQAPIK-PXTPFGJHSA-N 1 1 410.518 0.750 20 0 HCADMO COc1ccc(COCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000671975900 1080187224 /nfs/dbraw/zinc/18/72/24/1080187224.db2.gz NDJLYSUEYHLJSY-GOSISDBHSA-N 1 1 418.538 0.613 20 0 HCADMO COc1ccc(COCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000671975900 1080187217 /nfs/dbraw/zinc/18/72/17/1080187217.db2.gz NDJLYSUEYHLJSY-GOSISDBHSA-N 1 1 418.538 0.613 20 0 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0.948 20 0 HCADMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672241891 1080523600 /nfs/dbraw/zinc/52/36/00/1080523600.db2.gz RIVCGIZKJINXLV-KRWDZBQOSA-N 1 1 407.540 0.785 20 0 HCADMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC000672241892 1080523381 /nfs/dbraw/zinc/52/33/81/1080523381.db2.gz RIVCGIZKJINXLV-QGZVFWFLSA-N 1 1 407.540 0.785 20 0 HCADMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672243884 1080524613 /nfs/dbraw/zinc/52/46/13/1080524613.db2.gz RKCBVCBGCKIBBF-CDUMDVBJSA-N 1 1 412.450 0.036 20 0 HCADMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000672243885 1080524759 /nfs/dbraw/zinc/52/47/59/1080524759.db2.gz RKCBVCBGCKIBBF-SWQDORGXSA-N 1 1 412.450 0.036 20 0 HCADMO Cn1nnnc1CCNc1cc(NCCc2nnnn2C)[nH+]c(-c2ccccc2)n1 ZINC000672246111 1080522731 /nfs/dbraw/zinc/52/27/31/1080522731.db2.gz IWBJXQWPMYNACV-UHFFFAOYSA-N 1 1 406.458 0.500 20 0 HCADMO C[C@@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247273 1080527484 /nfs/dbraw/zinc/52/74/84/1080527484.db2.gz LPZBHHVCAIZWEG-APWZRJJASA-N 1 1 416.522 0.638 20 0 HCADMO C[C@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247274 1080527719 /nfs/dbraw/zinc/52/77/19/1080527719.db2.gz LPZBHHVCAIZWEG-LPHOPBHVSA-N 1 1 416.522 0.638 20 0 HCADMO C[C@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247275 1080527277 /nfs/dbraw/zinc/52/72/77/1080527277.db2.gz LPZBHHVCAIZWEG-QFBILLFUSA-N 1 1 416.522 0.638 20 0 HCADMO C[C@@H]1COCCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247276 1080527172 /nfs/dbraw/zinc/52/71/72/1080527172.db2.gz LPZBHHVCAIZWEG-VQIMIIECSA-N 1 1 416.522 0.638 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ncn1 ZINC000672247351 1080527333 /nfs/dbraw/zinc/52/73/33/1080527333.db2.gz YUKJJNAJOVXZSK-GOSISDBHSA-N 1 1 424.505 0.415 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ncn1 ZINC000672247352 1080527693 /nfs/dbraw/zinc/52/76/93/1080527693.db2.gz YUKJJNAJOVXZSK-SFHVURJKSA-N 1 1 424.505 0.415 20 0 HCADMO CC(C)OCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247367 1080527556 /nfs/dbraw/zinc/52/75/56/1080527556.db2.gz AVPUVLKWCFBWIH-GOSISDBHSA-N 1 1 404.511 0.541 20 0 HCADMO CC(C)OCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000672247368 1080527223 /nfs/dbraw/zinc/52/72/23/1080527223.db2.gz AVPUVLKWCFBWIH-SFHVURJKSA-N 1 1 404.511 0.541 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n[nH]1 ZINC000672247389 1080527638 /nfs/dbraw/zinc/52/76/38/1080527638.db2.gz FUYOUMSKENNJCS-KRWDZBQOSA-N 1 1 412.494 0.348 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n[nH]1 ZINC000672247389 1080527618 /nfs/dbraw/zinc/52/76/18/1080527618.db2.gz FUYOUMSKENNJCS-KRWDZBQOSA-N 1 1 412.494 0.348 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[nH]n1 ZINC000672247389 1080527598 /nfs/dbraw/zinc/52/75/98/1080527598.db2.gz FUYOUMSKENNJCS-KRWDZBQOSA-N 1 1 412.494 0.348 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n[nH]1 ZINC000672247390 1080527439 /nfs/dbraw/zinc/52/74/39/1080527439.db2.gz FUYOUMSKENNJCS-QGZVFWFLSA-N 1 1 412.494 0.348 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n[nH]1 ZINC000672247390 1080527426 /nfs/dbraw/zinc/52/74/26/1080527426.db2.gz FUYOUMSKENNJCS-QGZVFWFLSA-N 1 1 412.494 0.348 20 0 HCADMO Cc1cc(CNC(=O)C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH]n1 ZINC000672247390 1080527409 /nfs/dbraw/zinc/52/74/09/1080527409.db2.gz FUYOUMSKENNJCS-QGZVFWFLSA-N 1 1 412.494 0.348 20 0 HCADMO COC[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000672247468 1080526373 /nfs/dbraw/zinc/52/63/73/1080526373.db2.gz ZWYOXVMZKTUDII-MOPGFXCFSA-N 1 1 416.522 0.638 20 0 HCADMO 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FRLDQPJFYHZKHD-QGZVFWFLSA-N 1 1 404.511 0.211 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C2 ZINC000672267736 1080535082 /nfs/dbraw/zinc/53/50/82/1080535082.db2.gz BJMNAUXPYVCMEI-KRWDZBQOSA-N 1 1 419.522 0.932 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C2 ZINC000672267737 1080535309 /nfs/dbraw/zinc/53/53/09/1080535309.db2.gz BJMNAUXPYVCMEI-QGZVFWFLSA-N 1 1 419.522 0.932 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672268553 1080542066 /nfs/dbraw/zinc/54/20/66/1080542066.db2.gz FLYLMPISZMURSY-HLLBOEOZSA-N 1 1 405.495 0.730 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000672268554 1080542210 /nfs/dbraw/zinc/54/22/10/1080542210.db2.gz FLYLMPISZMURSY-UXLLHSPISA-N 1 1 405.495 0.730 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000672268716 1080542327 /nfs/dbraw/zinc/54/23/27/1080542327.db2.gz HALITSNUQWKRPL-MSOLQXFVSA-N 1 1 416.522 0.353 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000672268717 1080542455 /nfs/dbraw/zinc/54/24/55/1080542455.db2.gz HALITSNUQWKRPL-QZTJIDSGSA-N 1 1 416.522 0.353 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN([C@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000672268718 1080542139 /nfs/dbraw/zinc/54/21/39/1080542139.db2.gz HALITSNUQWKRPL-ROUUACIJSA-N 1 1 416.522 0.353 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)C2 ZINC000672268719 1080542437 /nfs/dbraw/zinc/54/24/37/1080542437.db2.gz HALITSNUQWKRPL-ZWKOTPCHSA-N 1 1 416.522 0.353 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)C2 ZINC000672268832 1080541641 /nfs/dbraw/zinc/54/16/41/1080541641.db2.gz WJQXJFOVEMDVQU-NVXWUHKLSA-N 1 1 417.506 0.827 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)C2 ZINC000672268833 1080541745 /nfs/dbraw/zinc/54/17/45/1080541745.db2.gz WJQXJFOVEMDVQU-WBVHZDCISA-N 1 1 417.506 0.827 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672269642 1080543695 /nfs/dbraw/zinc/54/36/95/1080543695.db2.gz WADOJKPUCQWBCD-IRXDYDNUSA-N 1 1 416.522 0.400 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672269642 1080543685 /nfs/dbraw/zinc/54/36/85/1080543685.db2.gz WADOJKPUCQWBCD-IRXDYDNUSA-N 1 1 416.522 0.400 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000672269643 1080543525 /nfs/dbraw/zinc/54/35/25/1080543525.db2.gz WADOJKPUCQWBCD-SJORKVTESA-N 1 1 416.522 0.400 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000672269643 1080543518 /nfs/dbraw/zinc/54/35/18/1080543518.db2.gz WADOJKPUCQWBCD-SJORKVTESA-N 1 1 416.522 0.400 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C2 ZINC000672269691 1080543452 /nfs/dbraw/zinc/54/34/52/1080543452.db2.gz XDRMETHAUBFZLW-KRWDZBQOSA-N 1 1 418.538 0.599 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C2 ZINC000672269691 1080543442 /nfs/dbraw/zinc/54/34/42/1080543442.db2.gz XDRMETHAUBFZLW-KRWDZBQOSA-N 1 1 418.538 0.599 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C2 ZINC000672269692 1080543579 /nfs/dbraw/zinc/54/35/79/1080543579.db2.gz XDRMETHAUBFZLW-QGZVFWFLSA-N 1 1 418.538 0.599 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C2 ZINC000672269692 1080543574 /nfs/dbraw/zinc/54/35/74/1080543574.db2.gz XDRMETHAUBFZLW-QGZVFWFLSA-N 1 1 418.538 0.599 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C2 ZINC000672269769 1080542939 /nfs/dbraw/zinc/54/29/39/1080542939.db2.gz YVCGNWMBOJOSOJ-DOTOQJQBSA-N 1 1 405.495 0.732 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C2 ZINC000672269770 1080542976 /nfs/dbraw/zinc/54/29/76/1080542976.db2.gz YVCGNWMBOJOSOJ-NVXWUHKLSA-N 1 1 405.495 0.732 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C2 ZINC000672269771 1080542721 /nfs/dbraw/zinc/54/27/21/1080542721.db2.gz YVCGNWMBOJOSOJ-RDJZCZTQSA-N 1 1 405.495 0.732 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C2 ZINC000672269772 1080542877 /nfs/dbraw/zinc/54/28/77/1080542877.db2.gz YVCGNWMBOJOSOJ-WBVHZDCISA-N 1 1 405.495 0.732 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000672270304 1080544140 /nfs/dbraw/zinc/54/41/40/1080544140.db2.gz OPZIKFKISMDZJM-GDBMZVCRSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000672270304 1080544135 /nfs/dbraw/zinc/54/41/35/1080544135.db2.gz OPZIKFKISMDZJM-GDBMZVCRSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000672270305 1080544011 /nfs/dbraw/zinc/54/40/11/1080544011.db2.gz OPZIKFKISMDZJM-GOEBONIOSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000672270305 1080544005 /nfs/dbraw/zinc/54/40/05/1080544005.db2.gz OPZIKFKISMDZJM-GOEBONIOSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000672270306 1080544085 /nfs/dbraw/zinc/54/40/85/1080544085.db2.gz OPZIKFKISMDZJM-HOCLYGCPSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000672270306 1080544079 /nfs/dbraw/zinc/54/40/79/1080544079.db2.gz OPZIKFKISMDZJM-HOCLYGCPSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000672270307 1080544180 /nfs/dbraw/zinc/54/41/80/1080544180.db2.gz OPZIKFKISMDZJM-ZBFHGGJFSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000672270307 1080544175 /nfs/dbraw/zinc/54/41/75/1080544175.db2.gz OPZIKFKISMDZJM-ZBFHGGJFSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000672270764 1080545047 /nfs/dbraw/zinc/54/50/47/1080545047.db2.gz WJQXJFOVEMDVQU-DOTOQJQBSA-N 1 1 417.506 0.827 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)C2 ZINC000672270765 1080545148 /nfs/dbraw/zinc/54/51/48/1080545148.db2.gz WJQXJFOVEMDVQU-RDJZCZTQSA-N 1 1 417.506 0.827 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000672271211 1080545074 /nfs/dbraw/zinc/54/50/74/1080545074.db2.gz QXPQONQYHYVWKW-GDBMZVCRSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000672271211 1080545068 /nfs/dbraw/zinc/54/50/68/1080545068.db2.gz QXPQONQYHYVWKW-GDBMZVCRSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000672271212 1080544992 /nfs/dbraw/zinc/54/49/92/1080544992.db2.gz QXPQONQYHYVWKW-GOEBONIOSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000672271212 1080544982 /nfs/dbraw/zinc/54/49/82/1080544982.db2.gz QXPQONQYHYVWKW-GOEBONIOSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000672271213 1080545109 /nfs/dbraw/zinc/54/51/09/1080545109.db2.gz QXPQONQYHYVWKW-HOCLYGCPSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C2 ZINC000672271213 1080545105 /nfs/dbraw/zinc/54/51/05/1080545105.db2.gz QXPQONQYHYVWKW-HOCLYGCPSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000672271214 1080545531 /nfs/dbraw/zinc/54/55/31/1080545531.db2.gz QXPQONQYHYVWKW-ZBFHGGJFSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C2 ZINC000672271214 1080545524 /nfs/dbraw/zinc/54/55/24/1080545524.db2.gz QXPQONQYHYVWKW-ZBFHGGJFSA-N 1 1 405.495 0.419 20 0 HCADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000672271476 1080541780 /nfs/dbraw/zinc/54/17/80/1080541780.db2.gz ZNBFJJXZWGHLNL-INIZCTEOSA-N 1 1 403.479 0.438 20 0 HCADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CC[NH+](C3CCOCC3)CC1)C2 ZINC000672271477 1080542253 /nfs/dbraw/zinc/54/22/53/1080542253.db2.gz ZNBFJJXZWGHLNL-MRXNPFEDSA-N 1 1 403.479 0.438 20 0 HCADMO CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccn1 ZINC000672286939 1080547676 /nfs/dbraw/zinc/54/76/76/1080547676.db2.gz FGLKDVQWBMLHSW-MSOLQXFVSA-N 1 1 401.511 0.804 20 0 HCADMO CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccn1 ZINC000672286940 1080547739 /nfs/dbraw/zinc/54/77/39/1080547739.db2.gz FGLKDVQWBMLHSW-QZTJIDSGSA-N 1 1 401.511 0.804 20 0 HCADMO CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccn1 ZINC000672286941 1080547915 /nfs/dbraw/zinc/54/79/15/1080547915.db2.gz FGLKDVQWBMLHSW-ROUUACIJSA-N 1 1 401.511 0.804 20 0 HCADMO 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CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000672458544 1080611362 /nfs/dbraw/zinc/61/13/62/1080611362.db2.gz YHNBMCNWUSDHMQ-JZXOWHBKSA-N 1 1 415.538 0.669 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000672458545 1080611540 /nfs/dbraw/zinc/61/15/40/1080611540.db2.gz YHNBMCNWUSDHMQ-NUJGCVRESA-N 1 1 415.538 0.669 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@H](C)C1 ZINC000672458546 1080611462 /nfs/dbraw/zinc/61/14/62/1080611462.db2.gz YHNBMCNWUSDHMQ-RYRKJORJSA-N 1 1 415.538 0.669 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458841 1080610765 /nfs/dbraw/zinc/61/07/65/1080610765.db2.gz IIYMMKVRUJUMSE-INIZCTEOSA-N 1 1 401.511 0.281 20 0 HCADMO CC(C)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458842 1080610819 /nfs/dbraw/zinc/61/08/19/1080610819.db2.gz IIYMMKVRUJUMSE-MRXNPFEDSA-N 1 1 401.511 0.281 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458875 1080611439 /nfs/dbraw/zinc/61/14/39/1080611439.db2.gz JQDKARLKKITWHR-INIZCTEOSA-N 1 1 401.511 0.423 20 0 HCADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672458876 1080611511 /nfs/dbraw/zinc/61/15/11/1080611511.db2.gz JQDKARLKKITWHR-MRXNPFEDSA-N 1 1 401.511 0.423 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672459021 1080610777 /nfs/dbraw/zinc/61/07/77/1080610777.db2.gz OVLQMUJIUPACQU-BRWVUGGUSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672459022 1080610827 /nfs/dbraw/zinc/61/08/27/1080610827.db2.gz OVLQMUJIUPACQU-IKGGRYGDSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672459023 1080610721 /nfs/dbraw/zinc/61/07/21/1080610721.db2.gz OVLQMUJIUPACQU-IXDOHACOSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672459024 1080610701 /nfs/dbraw/zinc/61/07/01/1080610701.db2.gz OVLQMUJIUPACQU-ZACQAIPSSA-N 1 1 415.538 0.717 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459142 1080609054 /nfs/dbraw/zinc/60/90/54/1080609054.db2.gz BMDDFURMFMXFKP-CRAIPNDOSA-N 1 1 415.538 0.717 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459143 1080609238 /nfs/dbraw/zinc/60/92/38/1080609238.db2.gz BMDDFURMFMXFKP-MAUKXSAKSA-N 1 1 415.538 0.717 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459144 1080609191 /nfs/dbraw/zinc/60/91/91/1080609191.db2.gz BMDDFURMFMXFKP-QAPCUYQASA-N 1 1 415.538 0.717 20 0 HCADMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459145 1080609100 /nfs/dbraw/zinc/60/91/00/1080609100.db2.gz BMDDFURMFMXFKP-YJBOKZPZSA-N 1 1 415.538 0.717 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459420 1080616407 /nfs/dbraw/zinc/61/64/07/1080616407.db2.gz YABWCYWDBQQQLO-BFYDXBDKSA-N 1 1 401.511 0.279 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459421 1080616501 /nfs/dbraw/zinc/61/65/01/1080616501.db2.gz YABWCYWDBQQQLO-HLLBOEOZSA-N 1 1 401.511 0.279 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459422 1080616587 /nfs/dbraw/zinc/61/65/87/1080616587.db2.gz YABWCYWDBQQQLO-INMHGKMJSA-N 1 1 401.511 0.279 20 0 HCADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459423 1080616476 /nfs/dbraw/zinc/61/64/76/1080616476.db2.gz YABWCYWDBQQQLO-VYDXJSESSA-N 1 1 401.511 0.279 20 0 HCADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672459547 1080615100 /nfs/dbraw/zinc/61/51/00/1080615100.db2.gz MXCPUUKKIOEWSU-BZUAXINKSA-N 1 1 401.511 0.422 20 0 HCADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672459548 1080615179 /nfs/dbraw/zinc/61/51/79/1080615179.db2.gz MXCPUUKKIOEWSU-OAGGEKHMSA-N 1 1 401.511 0.422 20 0 HCADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672459549 1080615024 /nfs/dbraw/zinc/61/50/24/1080615024.db2.gz MXCPUUKKIOEWSU-OWCLPIDISA-N 1 1 401.511 0.422 20 0 HCADMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672459550 1080615078 /nfs/dbraw/zinc/61/50/78/1080615078.db2.gz MXCPUUKKIOEWSU-PMPSAXMXSA-N 1 1 401.511 0.422 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1C ZINC000672459673 1080615622 /nfs/dbraw/zinc/61/56/22/1080615622.db2.gz RMOZNOCKDUSXKJ-BBWFWOEESA-N 1 1 415.538 0.812 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1C ZINC000672459674 1080615613 /nfs/dbraw/zinc/61/56/13/1080615613.db2.gz RMOZNOCKDUSXKJ-IKGGRYGDSA-N 1 1 415.538 0.812 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C[C@@H]1C ZINC000672459675 1080615537 /nfs/dbraw/zinc/61/55/37/1080615537.db2.gz RMOZNOCKDUSXKJ-ULQDDVLXSA-N 1 1 415.538 0.812 20 0 HCADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C[C@H]1C ZINC000672459676 1080615588 /nfs/dbraw/zinc/61/55/88/1080615588.db2.gz RMOZNOCKDUSXKJ-ZACQAIPSSA-N 1 1 415.538 0.812 20 0 HCADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459693 1080614147 /nfs/dbraw/zinc/61/41/47/1080614147.db2.gz AMXKUDUALMKFHO-DLBZAZTESA-N 1 1 415.538 0.813 20 0 HCADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459696 1080614296 /nfs/dbraw/zinc/61/42/96/1080614296.db2.gz AMXKUDUALMKFHO-IAGOWNOFSA-N 1 1 415.538 0.813 20 0 HCADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459697 1080614234 /nfs/dbraw/zinc/61/42/34/1080614234.db2.gz AMXKUDUALMKFHO-IRXDYDNUSA-N 1 1 415.538 0.813 20 0 HCADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672459700 1080614168 /nfs/dbraw/zinc/61/41/68/1080614168.db2.gz AMXKUDUALMKFHO-SJORKVTESA-N 1 1 415.538 0.813 20 0 HCADMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000672459739 1080615139 /nfs/dbraw/zinc/61/51/39/1080615139.db2.gz UOQAJYGFDVDHHY-BFHYXJOUSA-N 1 1 411.576 0.999 20 0 HCADMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000672459746 1080615195 /nfs/dbraw/zinc/61/51/95/1080615195.db2.gz UOQAJYGFDVDHHY-MCIONIFRSA-N 1 1 411.576 0.999 20 0 HCADMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000672459747 1080615057 /nfs/dbraw/zinc/61/50/57/1080615057.db2.gz UOQAJYGFDVDHHY-MGPQQGTHSA-N 1 1 411.576 0.999 20 0 HCADMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)s1 ZINC000672459748 1080615259 /nfs/dbraw/zinc/61/52/59/1080615259.db2.gz UOQAJYGFDVDHHY-MJBXVCDLSA-N 1 1 411.576 0.999 20 0 HCADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460044 1080613615 /nfs/dbraw/zinc/61/36/15/1080613615.db2.gz PAVHTYHHVYCUKO-INIZCTEOSA-N 1 1 415.538 0.813 20 0 HCADMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672460045 1080613770 /nfs/dbraw/zinc/61/37/70/1080613770.db2.gz PAVHTYHHVYCUKO-MRXNPFEDSA-N 1 1 415.538 0.813 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460109 1080613851 /nfs/dbraw/zinc/61/38/51/1080613851.db2.gz RUWPPMXYOVGYSP-CVEARBPZSA-N 1 1 401.511 0.281 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460110 1080613872 /nfs/dbraw/zinc/61/38/72/1080613872.db2.gz RUWPPMXYOVGYSP-HOTGVXAUSA-N 1 1 401.511 0.281 20 0 HCADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460111 1080613653 /nfs/dbraw/zinc/61/36/53/1080613653.db2.gz RUWPPMXYOVGYSP-HZPDHXFCSA-N 1 1 401.511 0.281 20 0 HCADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000672460112 1080613542 /nfs/dbraw/zinc/61/35/42/1080613542.db2.gz RUWPPMXYOVGYSP-JKSUJKDBSA-N 1 1 401.511 0.281 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672460272 1080613594 /nfs/dbraw/zinc/61/35/94/1080613594.db2.gz CGZBSSIZRUBUJA-CRAIPNDOSA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672460272 1080613589 /nfs/dbraw/zinc/61/35/89/1080613589.db2.gz CGZBSSIZRUBUJA-CRAIPNDOSA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672460273 1080613747 /nfs/dbraw/zinc/61/37/47/1080613747.db2.gz CGZBSSIZRUBUJA-MAUKXSAKSA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672460273 1080613743 /nfs/dbraw/zinc/61/37/43/1080613743.db2.gz CGZBSSIZRUBUJA-MAUKXSAKSA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672460274 1080613794 /nfs/dbraw/zinc/61/37/94/1080613794.db2.gz CGZBSSIZRUBUJA-QAPCUYQASA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672460274 1080613787 /nfs/dbraw/zinc/61/37/87/1080613787.db2.gz CGZBSSIZRUBUJA-QAPCUYQASA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@H+]1C ZINC000672460275 1080613568 /nfs/dbraw/zinc/61/35/68/1080613568.db2.gz CGZBSSIZRUBUJA-YJBOKZPZSA-N 1 1 401.511 0.279 20 0 HCADMO CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC[N@@H+]1C ZINC000672460275 1080613562 /nfs/dbraw/zinc/61/35/62/1080613562.db2.gz CGZBSSIZRUBUJA-YJBOKZPZSA-N 1 1 401.511 0.279 20 0 HCADMO NC(=O)c1ccccc1N1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000672460288 1080612824 /nfs/dbraw/zinc/61/28/24/1080612824.db2.gz DPTWIUOGWYKBGA-DOTOQJQBSA-N 1 1 413.522 0.614 20 0 HCADMO 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C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672519641 1080663574 /nfs/dbraw/zinc/66/35/74/1080663574.db2.gz WYOIPJKHIDFZHO-KHYOSLBOSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672519641 1080663568 /nfs/dbraw/zinc/66/35/68/1080663568.db2.gz WYOIPJKHIDFZHO-KHYOSLBOSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672519642 1080663609 /nfs/dbraw/zinc/66/36/09/1080663609.db2.gz WYOIPJKHIDFZHO-QMTMVMCOSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672519642 1080663608 /nfs/dbraw/zinc/66/36/08/1080663608.db2.gz WYOIPJKHIDFZHO-QMTMVMCOSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672519643 1080663538 /nfs/dbraw/zinc/66/35/38/1080663538.db2.gz WYOIPJKHIDFZHO-YZVOILCLSA-N 1 1 424.492 0.881 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672519643 1080663535 /nfs/dbraw/zinc/66/35/35/1080663535.db2.gz WYOIPJKHIDFZHO-YZVOILCLSA-N 1 1 424.492 0.881 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000672522499 1080670095 /nfs/dbraw/zinc/67/00/95/1080670095.db2.gz OFXOMTJMIIWSNZ-BXWFABGCSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000672522499 1080670089 /nfs/dbraw/zinc/67/00/89/1080670089.db2.gz OFXOMTJMIIWSNZ-BXWFABGCSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000672522502 1080669763 /nfs/dbraw/zinc/66/97/63/1080669763.db2.gz OFXOMTJMIIWSNZ-GJYPPUQNSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000672522502 1080669748 /nfs/dbraw/zinc/66/97/48/1080669748.db2.gz OFXOMTJMIIWSNZ-GJYPPUQNSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000672522503 1080669972 /nfs/dbraw/zinc/66/99/72/1080669972.db2.gz OFXOMTJMIIWSNZ-JTDSTZFVSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000672522503 1080669967 /nfs/dbraw/zinc/66/99/67/1080669967.db2.gz OFXOMTJMIIWSNZ-JTDSTZFVSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000672522505 1080669708 /nfs/dbraw/zinc/66/97/08/1080669708.db2.gz OFXOMTJMIIWSNZ-TXPKVOOTSA-N 1 1 404.511 0.616 20 0 HCADMO COc1cccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000672522505 1080669694 /nfs/dbraw/zinc/66/96/94/1080669694.db2.gz OFXOMTJMIIWSNZ-TXPKVOOTSA-N 1 1 404.511 0.616 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCc4c[nH]nc4C3)CC2)oc1C ZINC000672523462 1080670374 /nfs/dbraw/zinc/67/03/74/1080670374.db2.gz NIKVSRVAYFAGMJ-UHFFFAOYSA-N 1 1 400.483 0.928 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)oc1C ZINC000672523574 1080664051 /nfs/dbraw/zinc/66/40/51/1080664051.db2.gz XFLAHXMMXDXPMN-CYBMUJFWSA-N 1 1 405.499 0.357 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)oc1C ZINC000672523576 1080664382 /nfs/dbraw/zinc/66/43/82/1080664382.db2.gz XFLAHXMMXDXPMN-ZDUSSCGKSA-N 1 1 405.499 0.357 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)CC2)oc1C ZINC000672523679 1080663580 /nfs/dbraw/zinc/66/35/80/1080663580.db2.gz PAPUDRFQPRVJEL-CRAIPNDOSA-N 1 1 421.542 0.455 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)oc1C ZINC000672523680 1080663597 /nfs/dbraw/zinc/66/35/97/1080663597.db2.gz PAPUDRFQPRVJEL-MAUKXSAKSA-N 1 1 421.542 0.455 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)[C@@H]3CN(C)CCO3)CC2)oc1C ZINC000672523681 1080663561 /nfs/dbraw/zinc/66/35/61/1080663561.db2.gz PAPUDRFQPRVJEL-QAPCUYQASA-N 1 1 421.542 0.455 20 0 HCADMO Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)CC2)oc1C ZINC000672523682 1080663491 /nfs/dbraw/zinc/66/34/91/1080663491.db2.gz PAPUDRFQPRVJEL-YJBOKZPZSA-N 1 1 421.542 0.455 20 0 HCADMO COC1(CNC(=O)C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CCOCC1 ZINC000672523788 1080663444 /nfs/dbraw/zinc/66/34/44/1080663444.db2.gz MAKLSKHUINYKOD-UHFFFAOYSA-N 1 1 422.526 0.931 20 0 HCADMO CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)cs1 ZINC000672523932 1080663430 /nfs/dbraw/zinc/66/34/30/1080663430.db2.gz PVHRQJQMVNURLW-AWEZNQCLSA-N 1 1 421.567 0.771 20 0 HCADMO CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)cs1 ZINC000672523933 1080670664 /nfs/dbraw/zinc/67/06/64/1080670664.db2.gz PVHRQJQMVNURLW-CQSZACIVSA-N 1 1 421.567 0.771 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672524455 1080664219 /nfs/dbraw/zinc/66/42/19/1080664219.db2.gz OIDHBHPDWGRSQX-PBHICJAKSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672524455 1080664208 /nfs/dbraw/zinc/66/42/08/1080664208.db2.gz OIDHBHPDWGRSQX-PBHICJAKSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672524456 1080664079 /nfs/dbraw/zinc/66/40/79/1080664079.db2.gz OIDHBHPDWGRSQX-RHSMWYFYSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672524456 1080664071 /nfs/dbraw/zinc/66/40/71/1080664071.db2.gz OIDHBHPDWGRSQX-RHSMWYFYSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672524457 1080664293 /nfs/dbraw/zinc/66/42/93/1080664293.db2.gz OIDHBHPDWGRSQX-WMLDXEAASA-N 1 1 406.483 0.091 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672524457 1080664285 /nfs/dbraw/zinc/66/42/85/1080664285.db2.gz OIDHBHPDWGRSQX-WMLDXEAASA-N 1 1 406.483 0.091 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672524458 1080664172 /nfs/dbraw/zinc/66/41/72/1080664172.db2.gz OIDHBHPDWGRSQX-YOEHRIQHSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1ccnc(OC2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672524458 1080664163 /nfs/dbraw/zinc/66/41/63/1080664163.db2.gz OIDHBHPDWGRSQX-YOEHRIQHSA-N 1 1 406.483 0.091 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672524824 1080664259 /nfs/dbraw/zinc/66/42/59/1080664259.db2.gz ZLEFMIABOZUOPD-JXFKEZNVSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672524824 1080664248 /nfs/dbraw/zinc/66/42/48/1080664248.db2.gz ZLEFMIABOZUOPD-JXFKEZNVSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672524825 1080664975 /nfs/dbraw/zinc/66/49/75/1080664975.db2.gz ZLEFMIABOZUOPD-OXJNMPFZSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672524825 1080664970 /nfs/dbraw/zinc/66/49/70/1080664970.db2.gz ZLEFMIABOZUOPD-OXJNMPFZSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672524826 1080664907 /nfs/dbraw/zinc/66/49/07/1080664907.db2.gz ZLEFMIABOZUOPD-OXQOHEQNSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672524826 1080664895 /nfs/dbraw/zinc/66/48/95/1080664895.db2.gz ZLEFMIABOZUOPD-OXQOHEQNSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672524827 1080664987 /nfs/dbraw/zinc/66/49/87/1080664987.db2.gz ZLEFMIABOZUOPD-UZLBHIALSA-N 1 1 419.522 0.834 20 0 HCADMO C[C@@H](NC(=O)C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672524827 1080664983 /nfs/dbraw/zinc/66/49/83/1080664983.db2.gz ZLEFMIABOZUOPD-UZLBHIALSA-N 1 1 419.522 0.834 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCc3cnc(N(C)C)n3C)CC2)CC1 ZINC000672524895 1080665000 /nfs/dbraw/zinc/66/50/00/1080665000.db2.gz XTIXWKOQENBQQM-UHFFFAOYSA-N 1 1 419.574 0.119 20 0 HCADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1C ZINC000672524940 1080665052 /nfs/dbraw/zinc/66/50/52/1080665052.db2.gz MRYOKCJCPKKDTG-UHFFFAOYSA-N 1 1 412.494 0.523 20 0 HCADMO CCN1C[C@H](CN(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)Oc2ccccc21 ZINC000672524962 1080664008 /nfs/dbraw/zinc/66/40/08/1080664008.db2.gz RVKIDKIPRVLCPT-INIZCTEOSA-N 1 1 414.510 0.848 20 0 HCADMO CCN1C[C@@H](CN(C)C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)Oc2ccccc21 ZINC000672524963 1080664317 /nfs/dbraw/zinc/66/43/17/1080664317.db2.gz RVKIDKIPRVLCPT-MRXNPFEDSA-N 1 1 414.510 0.848 20 0 HCADMO C[C@H]1CN(c2ccccc2F)CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000672525047 1080664097 /nfs/dbraw/zinc/66/40/97/1080664097.db2.gz VZESBMWRESWEIO-AWEZNQCLSA-N 1 1 402.474 0.979 20 0 HCADMO C[C@@H]1CN(c2ccccc2F)CCN1C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C 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CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639466 1080722667 /nfs/dbraw/zinc/72/26/67/1080722667.db2.gz NKKBHGOOTDPIBP-IRXDYDNUSA-N 1 1 424.611 0.832 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639467 1080723120 /nfs/dbraw/zinc/72/31/20/1080723120.db2.gz NKKBHGOOTDPIBP-SJORKVTESA-N 1 1 424.611 0.832 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCSCC4)C3)C2)CC1 ZINC000672639467 1080723109 /nfs/dbraw/zinc/72/31/09/1080723109.db2.gz NKKBHGOOTDPIBP-SJORKVTESA-N 1 1 424.611 0.832 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672639511 1080722463 /nfs/dbraw/zinc/72/24/63/1080722463.db2.gz OZXQUAVYRLWILU-INIZCTEOSA-N 1 1 412.538 0.517 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672639511 1080722450 /nfs/dbraw/zinc/72/24/50/1080722450.db2.gz OZXQUAVYRLWILU-INIZCTEOSA-N 1 1 412.538 0.517 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672639512 1080722870 /nfs/dbraw/zinc/72/28/70/1080722870.db2.gz OZXQUAVYRLWILU-MRXNPFEDSA-N 1 1 412.538 0.517 20 0 HCADMO Cn1nc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672639512 1080722855 /nfs/dbraw/zinc/72/28/55/1080722855.db2.gz OZXQUAVYRLWILU-MRXNPFEDSA-N 1 1 412.538 0.517 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639566 1080722557 /nfs/dbraw/zinc/72/25/57/1080722557.db2.gz QSDVIAFTOYDYIU-IBGZPJMESA-N 1 1 402.539 0.335 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639566 1080722536 /nfs/dbraw/zinc/72/25/36/1080722536.db2.gz QSDVIAFTOYDYIU-IBGZPJMESA-N 1 1 402.539 0.335 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639574 1080734443 /nfs/dbraw/zinc/73/44/43/1080734443.db2.gz QSDVIAFTOYDYIU-LJQANCHMSA-N 1 1 402.539 0.335 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N(CCO)CCc3ccccc3)C2)CC1 ZINC000672639574 1080734434 /nfs/dbraw/zinc/73/44/34/1080734434.db2.gz QSDVIAFTOYDYIU-LJQANCHMSA-N 1 1 402.539 0.335 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639672 1080734069 /nfs/dbraw/zinc/73/40/69/1080734069.db2.gz DWSUGHJTYMRMSX-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639672 1080734056 /nfs/dbraw/zinc/73/40/56/1080734056.db2.gz DWSUGHJTYMRMSX-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639673 1080734969 /nfs/dbraw/zinc/73/49/69/1080734969.db2.gz DWSUGHJTYMRMSX-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639673 1080734961 /nfs/dbraw/zinc/73/49/61/1080734961.db2.gz DWSUGHJTYMRMSX-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639675 1080734244 /nfs/dbraw/zinc/73/42/44/1080734244.db2.gz DWSUGHJTYMRMSX-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639675 1080734235 /nfs/dbraw/zinc/73/42/35/1080734235.db2.gz DWSUGHJTYMRMSX-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639676 1080733980 /nfs/dbraw/zinc/73/39/80/1080733980.db2.gz MZZSYPAQWHOJOO-HNNXBMFYSA-N 1 1 404.486 0.831 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639676 1080733959 /nfs/dbraw/zinc/73/39/59/1080733959.db2.gz MZZSYPAQWHOJOO-HNNXBMFYSA-N 1 1 404.486 0.831 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639677 1080734504 /nfs/dbraw/zinc/73/45/04/1080734504.db2.gz DWSUGHJTYMRMSX-WBVHZDCISA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1ccc(F)cc1 ZINC000672639677 1080734491 /nfs/dbraw/zinc/73/44/91/1080734491.db2.gz DWSUGHJTYMRMSX-WBVHZDCISA-N 1 1 406.502 0.994 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639680 1080734651 /nfs/dbraw/zinc/73/46/51/1080734651.db2.gz MZZSYPAQWHOJOO-OAHLLOKOSA-N 1 1 404.486 0.831 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCOc4cccc(F)c4C3)C2)CC1 ZINC000672639680 1080734633 /nfs/dbraw/zinc/73/46/33/1080734633.db2.gz MZZSYPAQWHOJOO-OAHLLOKOSA-N 1 1 404.486 0.831 20 0 HCADMO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639724 1080732361 /nfs/dbraw/zinc/73/23/61/1080732361.db2.gz FRVFWPFHPURMBM-KRWDZBQOSA-N 1 1 407.559 0.036 20 0 HCADMO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639724 1080732345 /nfs/dbraw/zinc/73/23/45/1080732345.db2.gz FRVFWPFHPURMBM-KRWDZBQOSA-N 1 1 407.559 0.036 20 0 HCADMO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639725 1080733045 /nfs/dbraw/zinc/73/30/45/1080733045.db2.gz FRVFWPFHPURMBM-QGZVFWFLSA-N 1 1 407.559 0.036 20 0 HCADMO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639725 1080733036 /nfs/dbraw/zinc/73/30/36/1080733036.db2.gz FRVFWPFHPURMBM-QGZVFWFLSA-N 1 1 407.559 0.036 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639735 1080733322 /nfs/dbraw/zinc/73/33/22/1080733322.db2.gz FVSIIMPHHGULOB-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639735 1080733313 /nfs/dbraw/zinc/73/33/13/1080733313.db2.gz FVSIIMPHHGULOB-DOTOQJQBSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639736 1080732976 /nfs/dbraw/zinc/73/29/76/1080732976.db2.gz FVSIIMPHHGULOB-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639736 1080732963 /nfs/dbraw/zinc/73/29/63/1080732963.db2.gz FVSIIMPHHGULOB-NVXWUHKLSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639737 1080732540 /nfs/dbraw/zinc/73/25/40/1080732540.db2.gz FVSIIMPHHGULOB-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639737 1080732517 /nfs/dbraw/zinc/73/25/17/1080732517.db2.gz FVSIIMPHHGULOB-RDJZCZTQSA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639738 1080733148 /nfs/dbraw/zinc/73/31/48/1080733148.db2.gz FVSIIMPHHGULOB-WBVHZDCISA-N 1 1 406.502 0.994 20 0 HCADMO C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)Oc1cccc(F)c1 ZINC000672639738 1080733137 /nfs/dbraw/zinc/73/31/37/1080733137.db2.gz FVSIIMPHHGULOB-WBVHZDCISA-N 1 1 406.502 0.994 20 0 HCADMO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672639850 1080732924 /nfs/dbraw/zinc/73/29/24/1080732924.db2.gz SCNULAGHFGQIHR-AEFFLSMTSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672639850 1080732917 /nfs/dbraw/zinc/73/29/17/1080732917.db2.gz SCNULAGHFGQIHR-AEFFLSMTSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672639851 1080732628 /nfs/dbraw/zinc/73/26/28/1080732628.db2.gz SCNULAGHFGQIHR-FUHWJXTLSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672639851 1080732613 /nfs/dbraw/zinc/73/26/13/1080732613.db2.gz SCNULAGHFGQIHR-FUHWJXTLSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672639852 1080732818 /nfs/dbraw/zinc/73/28/18/1080732818.db2.gz SCNULAGHFGQIHR-SJLPKXTDSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@H]2COCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672639852 1080732808 /nfs/dbraw/zinc/73/28/08/1080732808.db2.gz SCNULAGHFGQIHR-SJLPKXTDSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000672639853 1080733214 /nfs/dbraw/zinc/73/32/14/1080733214.db2.gz SCNULAGHFGQIHR-WMZOPIPTSA-N 1 1 404.511 0.773 20 0 HCADMO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000672639853 1080733206 /nfs/dbraw/zinc/73/32/06/1080733206.db2.gz SCNULAGHFGQIHR-WMZOPIPTSA-N 1 1 404.511 0.773 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639944 1080732874 /nfs/dbraw/zinc/73/28/74/1080732874.db2.gz UTTXXMFVICFCHC-IPYPFGDCSA-N 1 1 406.449 0.449 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639944 1080732866 /nfs/dbraw/zinc/73/28/66/1080732866.db2.gz UTTXXMFVICFCHC-IPYPFGDCSA-N 1 1 406.449 0.449 20 0 HCADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H](C(F)(F)F)O1 ZINC000672639952 1080732765 /nfs/dbraw/zinc/73/27/65/1080732765.db2.gz UTTXXMFVICFCHC-NFAWXSAZSA-N 1 1 406.449 0.449 20 0 HCADMO 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ZINC000672641321 1080736242 /nfs/dbraw/zinc/73/62/42/1080736242.db2.gz PWEIRKHCLUVQAC-INIZCTEOSA-N 1 1 410.584 0.396 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641321 1080736233 /nfs/dbraw/zinc/73/62/33/1080736233.db2.gz PWEIRKHCLUVQAC-INIZCTEOSA-N 1 1 410.584 0.396 20 0 HCADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641322 1080736357 /nfs/dbraw/zinc/73/63/57/1080736357.db2.gz PWEIRKHCLUVQAC-MRXNPFEDSA-N 1 1 410.584 0.396 20 0 HCADMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCSC4(CCOCC4)C3)C2)CC1 ZINC000672641322 1080736349 /nfs/dbraw/zinc/73/63/49/1080736349.db2.gz PWEIRKHCLUVQAC-MRXNPFEDSA-N 1 1 410.584 0.396 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641324 1080736001 /nfs/dbraw/zinc/73/60/01/1080736001.db2.gz PHYMFJZNKNLDSY-FXAWDEMLSA-N 1 1 400.523 0.389 20 0 HCADMO CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCc4ccccc4[C@H]3CO)C2)CC1 ZINC000672641324 1080735991 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CCc1ccc([C@@H](COC)NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000672864986 1080802907 /nfs/dbraw/zinc/80/29/07/1080802907.db2.gz LAZNZUAATPQVSZ-SJLPKXTDSA-N 1 1 406.527 0.884 20 0 HCADMO CCc1ccc([C@H](COC)NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000672864987 1080802995 /nfs/dbraw/zinc/80/29/95/1080802995.db2.gz LAZNZUAATPQVSZ-WMZOPIPTSA-N 1 1 406.527 0.884 20 0 HCADMO CC1(C)CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1CCO ZINC000672866560 1080803739 /nfs/dbraw/zinc/80/37/39/1080803739.db2.gz PYZITHNTLYMBPA-UHFFFAOYSA-N 1 1 423.602 0.809 20 0 HCADMO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874739 1080800648 /nfs/dbraw/zinc/80/06/48/1080800648.db2.gz FAQQOEYOUWHPDS-DKICVRJWSA-N 1 1 406.531 0.317 20 0 HCADMO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)C2)CC1 ZINC000672874739 1080800644 /nfs/dbraw/zinc/80/06/44/1080800644.db2.gz FAQQOEYOUWHPDS-DKICVRJWSA-N 1 1 406.531 0.317 20 0 HCADMO 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1080801766 /nfs/dbraw/zinc/80/17/66/1080801766.db2.gz NOQXGWPSEVEAAB-DOTOQJQBSA-N 1 1 408.465 0.882 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000672876584 1080801721 /nfs/dbraw/zinc/80/17/21/1080801721.db2.gz NOQXGWPSEVEAAB-NVXWUHKLSA-N 1 1 408.465 0.882 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000672876585 1080801887 /nfs/dbraw/zinc/80/18/87/1080801887.db2.gz NOQXGWPSEVEAAB-RDJZCZTQSA-N 1 1 408.465 0.882 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000672876586 1080801958 /nfs/dbraw/zinc/80/19/58/1080801958.db2.gz NOQXGWPSEVEAAB-WBVHZDCISA-N 1 1 408.465 0.882 20 0 HCADMO CN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876696 1080801271 /nfs/dbraw/zinc/80/12/71/1080801271.db2.gz XMVXGWOBAJNHHF-FCHUYYIVSA-N 1 1 415.582 0.961 20 0 HCADMO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1Cc1ccccc1 ZINC000672876697 1080801400 /nfs/dbraw/zinc/80/14/00/1080801400.db2.gz XMVXGWOBAJNHHF-FGZHOGPDSA-N 1 1 415.582 0.961 20 0 HCADMO CN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876698 1080801144 /nfs/dbraw/zinc/80/11/44/1080801144.db2.gz XMVXGWOBAJNHHF-VXKWHMMOSA-N 1 1 415.582 0.961 20 0 HCADMO CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000672876699 1080801335 /nfs/dbraw/zinc/80/13/35/1080801335.db2.gz XMVXGWOBAJNHHF-YADHBBJMSA-N 1 1 415.582 0.961 20 0 HCADMO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672880005 1080806376 /nfs/dbraw/zinc/80/63/76/1080806376.db2.gz TXPCOIOFVDNFGN-GOSISDBHSA-N 1 1 404.559 0.690 20 0 HCADMO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672880006 1080806419 /nfs/dbraw/zinc/80/64/19/1080806419.db2.gz TXPCOIOFVDNFGN-SFHVURJKSA-N 1 1 404.559 0.690 20 0 HCADMO CC1(C)CN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@H+]1CCO ZINC000672896418 1080811005 /nfs/dbraw/zinc/81/10/05/1080811005.db2.gz CYPXHMMXSRQXAV-KRWDZBQOSA-N 1 1 404.511 0.764 20 0 HCADMO CC1(C)CN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[N@H+]1CCO ZINC000672896419 1080810942 /nfs/dbraw/zinc/81/09/42/1080810942.db2.gz CYPXHMMXSRQXAV-QGZVFWFLSA-N 1 1 404.511 0.764 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896718 1080810432 /nfs/dbraw/zinc/81/04/32/1080810432.db2.gz RPNFKMJJMUUKRV-HRCADAONSA-N 1 1 400.479 0.232 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896719 1080810295 /nfs/dbraw/zinc/81/02/95/1080810295.db2.gz RPNFKMJJMUUKRV-JYJNAYRXSA-N 1 1 400.479 0.232 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896720 1080810413 /nfs/dbraw/zinc/81/04/13/1080810413.db2.gz RPNFKMJJMUUKRV-OWCLPIDISA-N 1 1 400.479 0.232 20 0 HCADMO C[N@H+]1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 ZINC000672896721 1080810275 /nfs/dbraw/zinc/81/02/75/1080810275.db2.gz RPNFKMJJMUUKRV-PMPSAXMXSA-N 1 1 400.479 0.232 20 0 HCADMO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000672896725 1080810336 /nfs/dbraw/zinc/81/03/36/1080810336.db2.gz SMHKEZLFDSJVAH-CYBMUJFWSA-N 1 1 413.496 0.264 20 0 HCADMO COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000672896726 1080810261 /nfs/dbraw/zinc/81/02/61/1080810261.db2.gz SMHKEZLFDSJVAH-ZDUSSCGKSA-N 1 1 413.496 0.264 20 0 HCADMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnc2c(F)cc(F)cc2c1O ZINC000672901442 1080814326 /nfs/dbraw/zinc/81/43/26/1080814326.db2.gz QGIIGBJVOFJTBX-AWEZNQCLSA-N 1 1 406.433 0.943 20 0 HCADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cnc2c(F)cc(F)cc2c1O ZINC000672901446 1080814369 /nfs/dbraw/zinc/81/43/69/1080814369.db2.gz QGIIGBJVOFJTBX-CQSZACIVSA-N 1 1 406.433 0.943 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1F ZINC000672910673 1080818258 /nfs/dbraw/zinc/81/82/58/1080818258.db2.gz IBGICECNQGXXOI-AWEZNQCLSA-N 1 1 412.487 0.615 20 0 HCADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1F ZINC000672910674 1080818244 /nfs/dbraw/zinc/81/82/44/1080818244.db2.gz IBGICECNQGXXOI-CQSZACIVSA-N 1 1 412.487 0.615 20 0 HCADMO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672910712 1080818401 /nfs/dbraw/zinc/81/84/01/1080818401.db2.gz SLPSVPRQPYPXGV-HNNXBMFYSA-N 1 1 409.508 0.779 20 0 HCADMO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672910713 1080818332 /nfs/dbraw/zinc/81/83/32/1080818332.db2.gz SLPSVPRQPYPXGV-OAHLLOKOSA-N 1 1 409.508 0.779 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n(C)nc1C(F)(F)F ZINC000672915029 1080819439 /nfs/dbraw/zinc/81/94/39/1080819439.db2.gz IHWKVTVFMVPHRY-CYBMUJFWSA-N 1 1 416.448 0.924 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n(C)nc1C(F)(F)F ZINC000672915030 1080819427 /nfs/dbraw/zinc/81/94/27/1080819427.db2.gz IHWKVTVFMVPHRY-ZDUSSCGKSA-N 1 1 416.448 0.924 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000672915042 1080819472 /nfs/dbraw/zinc/81/94/72/1080819472.db2.gz JFHMRTVJSSZRFV-IBGZPJMESA-N 1 1 415.538 0.955 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000672915043 1080819405 /nfs/dbraw/zinc/81/94/05/1080819405.db2.gz JFHMRTVJSSZRFV-LJQANCHMSA-N 1 1 415.538 0.955 20 0 HCADMO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000672917421 1080819876 /nfs/dbraw/zinc/81/98/76/1080819876.db2.gz AOXGIIDGIGRCGQ-GOSISDBHSA-N 1 1 420.510 0.907 20 0 HCADMO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2=O)c1 ZINC000672917422 1080819930 /nfs/dbraw/zinc/81/99/30/1080819930.db2.gz AOXGIIDGIGRCGQ-SFHVURJKSA-N 1 1 420.510 0.907 20 0 HCADMO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN(CCO)C(C)(C)C2)CC1 ZINC000672926916 1080823545 /nfs/dbraw/zinc/82/35/45/1080823545.db2.gz VGKCHMSZPLXZHD-UHFFFAOYSA-N 1 1 411.591 0.711 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000672934866 1080826400 /nfs/dbraw/zinc/82/64/00/1080826400.db2.gz MWXMANHTHCPQDE-PXAZEXFGSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000672934866 1080826395 /nfs/dbraw/zinc/82/63/95/1080826395.db2.gz MWXMANHTHCPQDE-PXAZEXFGSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000672934867 1080826293 /nfs/dbraw/zinc/82/62/93/1080826293.db2.gz MWXMANHTHCPQDE-SJCJKPOMSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000672934867 1080826290 /nfs/dbraw/zinc/82/62/90/1080826290.db2.gz MWXMANHTHCPQDE-SJCJKPOMSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000672934868 1080826381 /nfs/dbraw/zinc/82/63/81/1080826381.db2.gz MWXMANHTHCPQDE-SJKOYZFVSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000672934868 1080826376 /nfs/dbraw/zinc/82/63/76/1080826376.db2.gz MWXMANHTHCPQDE-SJKOYZFVSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000672934869 1080826214 /nfs/dbraw/zinc/82/62/14/1080826214.db2.gz MWXMANHTHCPQDE-YVEFUNNKSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000672934869 1080826212 /nfs/dbraw/zinc/82/62/12/1080826212.db2.gz MWXMANHTHCPQDE-YVEFUNNKSA-N 1 1 412.437 0.575 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672934929 1080826448 /nfs/dbraw/zinc/82/64/48/1080826448.db2.gz WCBPGIABXOYDBD-BLLLJJGKSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672934929 1080826447 /nfs/dbraw/zinc/82/64/47/1080826447.db2.gz WCBPGIABXOYDBD-BLLLJJGKSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672934930 1080827073 /nfs/dbraw/zinc/82/70/73/1080827073.db2.gz WCBPGIABXOYDBD-LRDDRELGSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672934930 1080827067 /nfs/dbraw/zinc/82/70/67/1080827067.db2.gz WCBPGIABXOYDBD-LRDDRELGSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000672934931 1080827140 /nfs/dbraw/zinc/82/71/40/1080827140.db2.gz WCBPGIABXOYDBD-MLGOLLRUSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000672934931 1080827138 /nfs/dbraw/zinc/82/71/38/1080827138.db2.gz WCBPGIABXOYDBD-MLGOLLRUSA-N 1 1 407.446 0.519 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672934932 1080827103 /nfs/dbraw/zinc/82/71/03/1080827103.db2.gz WCBPGIABXOYDBD-WBMJQRKESA-N 1 1 407.446 0.519 20 0 HCADMO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000672934932 1080827102 /nfs/dbraw/zinc/82/71/02/1080827102.db2.gz WCBPGIABXOYDBD-WBMJQRKESA-N 1 1 407.446 0.519 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000672934941 1080827179 /nfs/dbraw/zinc/82/71/79/1080827179.db2.gz XJAFBPSQARFNTD-KBXCAEBGSA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000672934941 1080827173 /nfs/dbraw/zinc/82/71/73/1080827173.db2.gz XJAFBPSQARFNTD-KBXCAEBGSA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000672934942 1080827120 /nfs/dbraw/zinc/82/71/20/1080827120.db2.gz XJAFBPSQARFNTD-KDOFPFPSSA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000672934942 1080827115 /nfs/dbraw/zinc/82/71/15/1080827115.db2.gz XJAFBPSQARFNTD-KDOFPFPSSA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000672934943 1080826991 /nfs/dbraw/zinc/82/69/91/1080826991.db2.gz XJAFBPSQARFNTD-KSSFIOAISA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000672934943 1080826989 /nfs/dbraw/zinc/82/69/89/1080826989.db2.gz XJAFBPSQARFNTD-KSSFIOAISA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000672934944 1080827001 /nfs/dbraw/zinc/82/70/01/1080827001.db2.gz XJAFBPSQARFNTD-RDTXWAMCSA-N 1 1 409.483 0.884 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000672934944 1080826999 /nfs/dbraw/zinc/82/69/99/1080826999.db2.gz XJAFBPSQARFNTD-RDTXWAMCSA-N 1 1 409.483 0.884 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C[C@H]1C ZINC000672938474 1080827600 /nfs/dbraw/zinc/82/76/00/1080827600.db2.gz HKEIJPWYWKBKLC-IKGGRYGDSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C[C@H]1C ZINC000672938474 1080827599 /nfs/dbraw/zinc/82/75/99/1080827599.db2.gz HKEIJPWYWKBKLC-IKGGRYGDSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C[C@H]1C ZINC000672938475 1080827553 /nfs/dbraw/zinc/82/75/53/1080827553.db2.gz HKEIJPWYWKBKLC-IXDOHACOSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C[C@H]1C ZINC000672938475 1080827550 /nfs/dbraw/zinc/82/75/50/1080827550.db2.gz HKEIJPWYWKBKLC-IXDOHACOSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C[C@@H]1C ZINC000672938476 1080827591 /nfs/dbraw/zinc/82/75/91/1080827591.db2.gz HKEIJPWYWKBKLC-ULQDDVLXSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C[C@@H]1C ZINC000672938476 1080827589 /nfs/dbraw/zinc/82/75/89/1080827589.db2.gz HKEIJPWYWKBKLC-ULQDDVLXSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C[C@@H]1C ZINC000672938477 1080827620 /nfs/dbraw/zinc/82/76/20/1080827620.db2.gz HKEIJPWYWKBKLC-YESZJQIVSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C[C@@H]1C ZINC000672938477 1080827617 /nfs/dbraw/zinc/82/76/17/1080827617.db2.gz HKEIJPWYWKBKLC-YESZJQIVSA-N 1 1 414.506 0.575 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000672938494 1080827632 /nfs/dbraw/zinc/82/76/32/1080827632.db2.gz JWNNRUMNYURRPN-GFCCVEGCSA-N 1 1 400.476 0.567 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@H]1C ZINC000672938494 1080827630 /nfs/dbraw/zinc/82/76/30/1080827630.db2.gz JWNNRUMNYURRPN-GFCCVEGCSA-N 1 1 400.476 0.567 20 0 HCADMO CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000672938495 1080827570 /nfs/dbraw/zinc/82/75/70/1080827570.db2.gz JWNNRUMNYURRPN-LBPRGKRZSA-N 1 1 400.476 0.567 20 0 HCADMO CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C[C@@H]1C ZINC000672938495 1080827569 /nfs/dbraw/zinc/82/75/69/1080827569.db2.gz JWNNRUMNYURRPN-LBPRGKRZSA-N 1 1 400.476 0.567 20 0 HCADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000672944407 1080828828 /nfs/dbraw/zinc/82/88/28/1080828828.db2.gz OCLWZZCQPJOYIS-MSOLQXFVSA-N 1 1 418.494 0.059 20 0 HCADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000672944408 1080828769 /nfs/dbraw/zinc/82/87/69/1080828769.db2.gz OCLWZZCQPJOYIS-QZTJIDSGSA-N 1 1 418.494 0.059 20 0 HCADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000672944409 1080828854 /nfs/dbraw/zinc/82/88/54/1080828854.db2.gz OCLWZZCQPJOYIS-ROUUACIJSA-N 1 1 418.494 0.059 20 0 HCADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000672944410 1080828845 /nfs/dbraw/zinc/82/88/45/1080828845.db2.gz OCLWZZCQPJOYIS-ZWKOTPCHSA-N 1 1 418.494 0.059 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n(C)nc1C(F)(F)F ZINC000672944427 1080828316 /nfs/dbraw/zinc/82/83/16/1080828316.db2.gz SGUNHXSXYMLXPT-NEPJUHHUSA-N 1 1 403.405 0.743 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n(C)nc1C(F)(F)F ZINC000672944428 1080828164 /nfs/dbraw/zinc/82/81/64/1080828164.db2.gz SGUNHXSXYMLXPT-NWDGAFQWSA-N 1 1 403.405 0.743 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n(C)nc1C(F)(F)F ZINC000672944429 1080828247 /nfs/dbraw/zinc/82/82/47/1080828247.db2.gz SGUNHXSXYMLXPT-RYUDHWBXSA-N 1 1 403.405 0.743 20 0 HCADMO Cc1c(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n(C)nc1C(F)(F)F ZINC000672944430 1080828239 /nfs/dbraw/zinc/82/82/39/1080828239.db2.gz SGUNHXSXYMLXPT-VXGBXAGGSA-N 1 1 403.405 0.743 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000672944439 1080828275 /nfs/dbraw/zinc/82/82/75/1080828275.db2.gz UYJGOFKUVYZMNA-MSOLQXFVSA-N 1 1 402.495 0.775 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000672944440 1080828264 /nfs/dbraw/zinc/82/82/64/1080828264.db2.gz UYJGOFKUVYZMNA-QZTJIDSGSA-N 1 1 402.495 0.775 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000672944441 1080828124 /nfs/dbraw/zinc/82/81/24/1080828124.db2.gz UYJGOFKUVYZMNA-ROUUACIJSA-N 1 1 402.495 0.775 20 0 HCADMO CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000672944442 1080828210 /nfs/dbraw/zinc/82/82/10/1080828210.db2.gz UYJGOFKUVYZMNA-ZWKOTPCHSA-N 1 1 402.495 0.775 20 0 HCADMO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000672944462 1080828303 /nfs/dbraw/zinc/82/83/03/1080828303.db2.gz XXCMNDOSKGXKJN-CABCVRRESA-N 1 1 422.869 0.667 20 0 HCADMO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000672944463 1080828217 /nfs/dbraw/zinc/82/82/17/1080828217.db2.gz XXCMNDOSKGXKJN-GJZGRUSLSA-N 1 1 422.869 0.667 20 0 HCADMO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000672944464 1080828226 /nfs/dbraw/zinc/82/82/26/1080828226.db2.gz XXCMNDOSKGXKJN-HUUCEWRRSA-N 1 1 422.869 0.667 20 0 HCADMO O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000672944465 1080828293 /nfs/dbraw/zinc/82/82/93/1080828293.db2.gz XXCMNDOSKGXKJN-LSDHHAIUSA-N 1 1 422.869 0.667 20 0 HCADMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@H+]1CCO ZINC000672957450 1080831558 /nfs/dbraw/zinc/83/15/58/1080831558.db2.gz FXBMWPVQKJWBQP-UHFFFAOYSA-N 1 1 421.473 0.599 20 0 HCADMO CC1(C)CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@@H+]1CCO ZINC000672957450 1080831555 /nfs/dbraw/zinc/83/15/55/1080831555.db2.gz FXBMWPVQKJWBQP-UHFFFAOYSA-N 1 1 421.473 0.599 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1OC ZINC000672957466 1080831539 /nfs/dbraw/zinc/83/15/39/1080831539.db2.gz JSQHZKASBOWJQF-UHFFFAOYSA-N 1 1 423.510 0.964 20 0 HCADMO COCCCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1OC 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C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)CC2)C1 ZINC000673168491 1080898757 /nfs/dbraw/zinc/89/87/57/1080898757.db2.gz YJBFXGDMVBRWJT-SJORKVTESA-N 1 1 401.577 0.222 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171153 1080899110 /nfs/dbraw/zinc/89/91/10/1080899110.db2.gz ALDIMHZSBQLDTK-CVEARBPZSA-N 1 1 407.481 0.671 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171158 1080899032 /nfs/dbraw/zinc/89/90/32/1080899032.db2.gz ALDIMHZSBQLDTK-HOTGVXAUSA-N 1 1 407.481 0.671 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171161 1080899098 /nfs/dbraw/zinc/89/90/98/1080899098.db2.gz ALDIMHZSBQLDTK-HZPDHXFCSA-N 1 1 407.481 0.671 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)C1 ZINC000673171164 1080898993 /nfs/dbraw/zinc/89/89/93/1080898993.db2.gz ALDIMHZSBQLDTK-JKSUJKDBSA-N 1 1 407.481 0.671 20 0 HCADMO 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NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673174648 1080900521 /nfs/dbraw/zinc/90/05/21/1080900521.db2.gz MNEDUZRAYDGZFK-ROUUACIJSA-N 1 1 424.505 0.993 20 0 HCADMO NC(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000673174649 1080901530 /nfs/dbraw/zinc/90/15/30/1080901530.db2.gz MNEDUZRAYDGZFK-ZWKOTPCHSA-N 1 1 424.505 0.993 20 0 HCADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)n2)c1C ZINC000673174723 1080899912 /nfs/dbraw/zinc/89/99/12/1080899912.db2.gz GHBXERAKESCHRU-CYBMUJFWSA-N 1 1 415.454 0.009 20 0 HCADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)n2)c1C ZINC000673174724 1080899932 /nfs/dbraw/zinc/89/99/32/1080899932.db2.gz GHBXERAKESCHRU-ZDUSSCGKSA-N 1 1 415.454 0.009 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)C[C@@H](C)O1 ZINC000673175099 1080899405 /nfs/dbraw/zinc/89/94/05/1080899405.db2.gz XTODFCVNPOBSEO-BFYDXBDKSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)C[C@H](C)O1 ZINC000673175103 1080901787 /nfs/dbraw/zinc/90/17/87/1080901787.db2.gz XTODFCVNPOBSEO-HLLBOEOZSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)c2)C[C@H](C)O1 ZINC000673175103 1080901775 /nfs/dbraw/zinc/90/17/75/1080901775.db2.gz XTODFCVNPOBSEO-HLLBOEOZSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)C[C@@H](C)O1 ZINC000673175104 1080901661 /nfs/dbraw/zinc/90/16/61/1080901661.db2.gz XTODFCVNPOBSEO-INMHGKMJSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)C[C@H](C)O1 ZINC000673175105 1080901429 /nfs/dbraw/zinc/90/14/29/1080901429.db2.gz XTODFCVNPOBSEO-UXLLHSPISA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)c2)C[C@H](C)O1 ZINC000673175105 1080901402 /nfs/dbraw/zinc/90/14/02/1080901402.db2.gz XTODFCVNPOBSEO-UXLLHSPISA-N 1 1 402.495 0.958 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000673175754 1080903100 /nfs/dbraw/zinc/90/31/00/1080903100.db2.gz ZONAKURMGCMKSW-HNNXBMFYSA-N 1 1 415.494 0.127 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000673175755 1080904110 /nfs/dbraw/zinc/90/41/10/1080904110.db2.gz ZONAKURMGCMKSW-OAHLLOKOSA-N 1 1 415.494 0.127 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC000673176626 1080905554 /nfs/dbraw/zinc/90/55/54/1080905554.db2.gz ZZZLDGFNEPFKIJ-BZUAXINKSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC000673176627 1080905996 /nfs/dbraw/zinc/90/59/96/1080905996.db2.gz ZZZLDGFNEPFKIJ-OAGGEKHMSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC000673176628 1080905507 /nfs/dbraw/zinc/90/55/07/1080905507.db2.gz ZZZLDGFNEPFKIJ-OWCLPIDISA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC000673176628 1080905485 /nfs/dbraw/zinc/90/54/85/1080905485.db2.gz ZZZLDGFNEPFKIJ-OWCLPIDISA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC000673176629 1080905765 /nfs/dbraw/zinc/90/57/65/1080905765.db2.gz ZZZLDGFNEPFKIJ-XHSDSOJGSA-N 1 1 402.495 0.958 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC000673176629 1080905751 /nfs/dbraw/zinc/90/57/51/1080905751.db2.gz ZZZLDGFNEPFKIJ-XHSDSOJGSA-N 1 1 402.495 0.958 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc2)CC1 ZINC000673176638 1080905651 /nfs/dbraw/zinc/90/56/51/1080905651.db2.gz NCHKIESQPGAYDO-UHFFFAOYSA-N 1 1 420.510 0.307 20 0 HCADMO Cn1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C(F)(F)F)n1 ZINC000673185954 1080913147 /nfs/dbraw/zinc/91/31/47/1080913147.db2.gz RWWGTKUZTKHHJC-AWEZNQCLSA-N 1 1 416.448 0.294 20 0 HCADMO Cn1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C(F)(F)F)n1 ZINC000673185955 1080913366 /nfs/dbraw/zinc/91/33/66/1080913366.db2.gz RWWGTKUZTKHHJC-CQSZACIVSA-N 1 1 416.448 0.294 20 0 HCADMO Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673188069 1080909734 /nfs/dbraw/zinc/90/97/34/1080909734.db2.gz FDGZWKGMAQVTAS-KRWDZBQOSA-N 1 1 415.538 0.970 20 0 HCADMO Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673188070 1080909639 /nfs/dbraw/zinc/90/96/39/1080909639.db2.gz FDGZWKGMAQVTAS-QGZVFWFLSA-N 1 1 415.538 0.970 20 0 HCADMO Cc1ccncc1[C@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000673194109 1080913964 /nfs/dbraw/zinc/91/39/64/1080913964.db2.gz LXVHLWXRDGYSIY-INIZCTEOSA-N 1 1 401.511 0.580 20 0 HCADMO Cc1ccncc1[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000673194110 1080914023 /nfs/dbraw/zinc/91/40/23/1080914023.db2.gz LXVHLWXRDGYSIY-MRXNPFEDSA-N 1 1 401.511 0.580 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000673198927 1080915573 /nfs/dbraw/zinc/91/55/73/1080915573.db2.gz DEHFSLFFSJWGGC-JLJPHGGASA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000673198927 1080915554 /nfs/dbraw/zinc/91/55/54/1080915554.db2.gz DEHFSLFFSJWGGC-JLJPHGGASA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000673198928 1080915963 /nfs/dbraw/zinc/91/59/63/1080915963.db2.gz DEHFSLFFSJWGGC-LXZKKBNFSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000673198928 1080915939 /nfs/dbraw/zinc/91/59/39/1080915939.db2.gz DEHFSLFFSJWGGC-LXZKKBNFSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000673198929 1080915628 /nfs/dbraw/zinc/91/56/28/1080915628.db2.gz DEHFSLFFSJWGGC-QRTARXTBSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000673198929 1080915611 /nfs/dbraw/zinc/91/56/11/1080915611.db2.gz DEHFSLFFSJWGGC-QRTARXTBSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000673198931 1080916066 /nfs/dbraw/zinc/91/60/66/1080916066.db2.gz DEHFSLFFSJWGGC-YSVLISHTSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000673198931 1080916049 /nfs/dbraw/zinc/91/60/49/1080916049.db2.gz DEHFSLFFSJWGGC-YSVLISHTSA-N 1 1 422.913 0.787 20 0 HCADMO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673210826 1080924209 /nfs/dbraw/zinc/92/42/09/1080924209.db2.gz DHJORSJSBDOERV-AEFFLSMTSA-N 1 1 408.543 0.320 20 0 HCADMO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673210827 1080924635 /nfs/dbraw/zinc/92/46/35/1080924635.db2.gz DHJORSJSBDOERV-FUHWJXTLSA-N 1 1 408.543 0.320 20 0 HCADMO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673210828 1080924073 /nfs/dbraw/zinc/92/40/73/1080924073.db2.gz DHJORSJSBDOERV-SJLPKXTDSA-N 1 1 408.543 0.320 20 0 HCADMO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000673210829 1080924368 /nfs/dbraw/zinc/92/43/68/1080924368.db2.gz DHJORSJSBDOERV-WMZOPIPTSA-N 1 1 408.543 0.320 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H]3CCOC3)CC2)CC1 ZINC000673213249 1080928026 /nfs/dbraw/zinc/92/80/26/1080928026.db2.gz HSQSEKPWRLDXPC-HKUYNNGSSA-N 1 1 422.570 0.711 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)CC2)CC1 ZINC000673213251 1080928318 /nfs/dbraw/zinc/92/83/18/1080928318.db2.gz HSQSEKPWRLDXPC-IEBWSBKVSA-N 1 1 422.570 0.711 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H](C)C[C@@H]3CCOC3)CC2)CC1 ZINC000673213253 1080928160 /nfs/dbraw/zinc/92/81/60/1080928160.db2.gz HSQSEKPWRLDXPC-MJGOQNOKSA-N 1 1 422.570 0.711 20 0 HCADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)CC2)CC1 ZINC000673213255 1080928478 /nfs/dbraw/zinc/92/84/78/1080928478.db2.gz HSQSEKPWRLDXPC-PKOBYXMFSA-N 1 1 422.570 0.711 20 0 HCADMO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673223573 1080932175 /nfs/dbraw/zinc/93/21/75/1080932175.db2.gz JAYDMQUOPQDUCP-KRWDZBQOSA-N 1 1 409.556 0.644 20 0 HCADMO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673223573 1080932161 /nfs/dbraw/zinc/93/21/61/1080932161.db2.gz JAYDMQUOPQDUCP-KRWDZBQOSA-N 1 1 409.556 0.644 20 0 HCADMO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673223576 1080931900 /nfs/dbraw/zinc/93/19/00/1080931900.db2.gz JAYDMQUOPQDUCP-QGZVFWFLSA-N 1 1 409.556 0.644 20 0 HCADMO CN(C(=O)NCc1ccccc1S(N)(=O)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673223576 1080931890 /nfs/dbraw/zinc/93/18/90/1080931890.db2.gz JAYDMQUOPQDUCP-QGZVFWFLSA-N 1 1 409.556 0.644 20 0 HCADMO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673226282 1080929095 /nfs/dbraw/zinc/92/90/95/1080929095.db2.gz CFWMDPNRQCAJSG-ROUUACIJSA-N 1 1 422.551 0.956 20 0 HCADMO O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673226283 1080929214 /nfs/dbraw/zinc/92/92/14/1080929214.db2.gz CFWMDPNRQCAJSG-ZWKOTPCHSA-N 1 1 422.551 0.956 20 0 HCADMO CC1(C)CN(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC[N@H+]1CCO ZINC000673226320 1080928744 /nfs/dbraw/zinc/92/87/44/1080928744.db2.gz MTPAWKUDEDETPD-INIZCTEOSA-N 1 1 410.540 0.548 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673230206 1080935062 /nfs/dbraw/zinc/93/50/62/1080935062.db2.gz ZEUFYTXHHNVRAG-INDMIFKZSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673230206 1080935055 /nfs/dbraw/zinc/93/50/55/1080935055.db2.gz ZEUFYTXHHNVRAG-INDMIFKZSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673230207 1080934785 /nfs/dbraw/zinc/93/47/85/1080934785.db2.gz ZEUFYTXHHNVRAG-MANSERQUSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673230207 1080934768 /nfs/dbraw/zinc/93/47/68/1080934768.db2.gz ZEUFYTXHHNVRAG-MANSERQUSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673230208 1080935294 /nfs/dbraw/zinc/93/52/94/1080935294.db2.gz ZEUFYTXHHNVRAG-OKYOBFRVSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673230208 1080935282 /nfs/dbraw/zinc/93/52/82/1080935282.db2.gz ZEUFYTXHHNVRAG-OKYOBFRVSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673230209 1080935550 /nfs/dbraw/zinc/93/55/50/1080935550.db2.gz ZEUFYTXHHNVRAG-WJFTUGDTSA-N 1 1 406.571 0.933 20 0 HCADMO CN(C(=O)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673230209 1080935540 /nfs/dbraw/zinc/93/55/40/1080935540.db2.gz ZEUFYTXHHNVRAG-WJFTUGDTSA-N 1 1 406.571 0.933 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673233470 1080936932 /nfs/dbraw/zinc/93/69/32/1080936932.db2.gz XVTYAUURWDXPBC-CTNGQTDRSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673233470 1080936907 /nfs/dbraw/zinc/93/69/07/1080936907.db2.gz XVTYAUURWDXPBC-CTNGQTDRSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673233471 1080936573 /nfs/dbraw/zinc/93/65/73/1080936573.db2.gz XVTYAUURWDXPBC-FPOVZHCZSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673233471 1080936563 /nfs/dbraw/zinc/93/65/63/1080936563.db2.gz XVTYAUURWDXPBC-FPOVZHCZSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673233472 1080936801 /nfs/dbraw/zinc/93/68/01/1080936801.db2.gz XVTYAUURWDXPBC-PZJWPPBQSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673233472 1080936795 /nfs/dbraw/zinc/93/67/95/1080936795.db2.gz XVTYAUURWDXPBC-PZJWPPBQSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673233473 1080937179 /nfs/dbraw/zinc/93/71/79/1080937179.db2.gz XVTYAUURWDXPBC-TZIWHRDSSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673233473 1080937173 /nfs/dbraw/zinc/93/71/73/1080937173.db2.gz XVTYAUURWDXPBC-TZIWHRDSSA-N 1 1 416.566 0.987 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673234217 1080936648 /nfs/dbraw/zinc/93/66/48/1080936648.db2.gz QGVMCCGKZXLVAC-PMACEKPBSA-N 1 1 402.539 0.599 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673234218 1080937116 /nfs/dbraw/zinc/93/71/16/1080937116.db2.gz QGVMCCGKZXLVAC-UXHICEINSA-N 1 1 402.539 0.599 20 0 HCADMO COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673234219 1080936748 /nfs/dbraw/zinc/93/67/48/1080936748.db2.gz QGVMCCGKZXLVAC-VQTJNVASSA-N 1 1 402.539 0.599 20 0 HCADMO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673234220 1080937159 /nfs/dbraw/zinc/93/71/59/1080937159.db2.gz QGVMCCGKZXLVAC-WOJBJXKFSA-N 1 1 402.539 0.599 20 0 HCADMO C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000673236784 1080938992 /nfs/dbraw/zinc/93/89/92/1080938992.db2.gz KNWOVUGJYFDRAW-AEFFLSMTSA-N 1 1 409.556 0.783 20 0 HCADMO C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000673236785 1080939271 /nfs/dbraw/zinc/93/92/71/1080939271.db2.gz KNWOVUGJYFDRAW-FUHWJXTLSA-N 1 1 409.556 0.783 20 0 HCADMO C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000673236786 1080939142 /nfs/dbraw/zinc/93/91/42/1080939142.db2.gz KNWOVUGJYFDRAW-SJLPKXTDSA-N 1 1 409.556 0.783 20 0 HCADMO C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000673236787 1080938746 /nfs/dbraw/zinc/93/87/46/1080938746.db2.gz KNWOVUGJYFDRAW-WMZOPIPTSA-N 1 1 409.556 0.783 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246409 1080941154 /nfs/dbraw/zinc/94/11/54/1080941154.db2.gz BJCSPHLMIWLMLQ-AEFFLSMTSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246411 1080941818 /nfs/dbraw/zinc/94/18/18/1080941818.db2.gz BJCSPHLMIWLMLQ-FUHWJXTLSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246413 1080941601 /nfs/dbraw/zinc/94/16/01/1080941601.db2.gz BJCSPHLMIWLMLQ-SJLPKXTDSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1ccc(F)cc1 ZINC000673246420 1080941979 /nfs/dbraw/zinc/94/19/79/1080941979.db2.gz BJCSPHLMIWLMLQ-WMZOPIPTSA-N 1 1 406.502 0.948 20 0 HCADMO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000673247215 1080942271 /nfs/dbraw/zinc/94/22/71/1080942271.db2.gz CYNRVEYKFJJYQY-MSOLQXFVSA-N 1 1 418.538 0.817 20 0 HCADMO COc1cccc(O[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000673247216 1080942420 /nfs/dbraw/zinc/94/24/20/1080942420.db2.gz CYNRVEYKFJJYQY-QZTJIDSGSA-N 1 1 418.538 0.817 20 0 HCADMO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000673247219 1080946500 /nfs/dbraw/zinc/94/65/00/1080946500.db2.gz CYNRVEYKFJJYQY-ROUUACIJSA-N 1 1 418.538 0.817 20 0 HCADMO COc1cccc(O[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000673247224 1080946637 /nfs/dbraw/zinc/94/66/37/1080946637.db2.gz CYNRVEYKFJJYQY-ZWKOTPCHSA-N 1 1 418.538 0.817 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249404 1080944031 /nfs/dbraw/zinc/94/40/31/1080944031.db2.gz FPWCSQHFAIDQLZ-AEFFLSMTSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249405 1080943806 /nfs/dbraw/zinc/94/38/06/1080943806.db2.gz FPWCSQHFAIDQLZ-FUHWJXTLSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249406 1080943954 /nfs/dbraw/zinc/94/39/54/1080943954.db2.gz FPWCSQHFAIDQLZ-SJLPKXTDSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1cccc(F)c1 ZINC000673249407 1080943458 /nfs/dbraw/zinc/94/34/58/1080943458.db2.gz FPWCSQHFAIDQLZ-WMZOPIPTSA-N 1 1 406.502 0.948 20 0 HCADMO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673250320 1080944744 /nfs/dbraw/zinc/94/47/44/1080944744.db2.gz YPEWTYGVAAVJGW-MSOLQXFVSA-N 1 1 418.538 0.817 20 0 HCADMO COc1ccccc1O[C@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673250321 1080944495 /nfs/dbraw/zinc/94/44/95/1080944495.db2.gz YPEWTYGVAAVJGW-QZTJIDSGSA-N 1 1 418.538 0.817 20 0 HCADMO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673250322 1080944631 /nfs/dbraw/zinc/94/46/31/1080944631.db2.gz YPEWTYGVAAVJGW-ROUUACIJSA-N 1 1 418.538 0.817 20 0 HCADMO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673250323 1080944821 /nfs/dbraw/zinc/94/48/21/1080944821.db2.gz YPEWTYGVAAVJGW-ZWKOTPCHSA-N 1 1 418.538 0.817 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252057 1080944853 /nfs/dbraw/zinc/94/48/53/1080944853.db2.gz YDENWMRNBAMZAQ-DLBZAZTESA-N 1 1 406.502 0.948 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252058 1080944540 /nfs/dbraw/zinc/94/45/40/1080944540.db2.gz YDENWMRNBAMZAQ-IAGOWNOFSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252059 1080944719 /nfs/dbraw/zinc/94/47/19/1080944719.db2.gz YDENWMRNBAMZAQ-IRXDYDNUSA-N 1 1 406.502 0.948 20 0 HCADMO C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Oc1ccccc1F ZINC000673252060 1080944429 /nfs/dbraw/zinc/94/44/29/1080944429.db2.gz YDENWMRNBAMZAQ-SJORKVTESA-N 1 1 406.502 0.948 20 0 HCADMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673253683 1080948236 /nfs/dbraw/zinc/94/82/36/1080948236.db2.gz TYNCMDOGIWLRLP-CRAIPNDOSA-N 1 1 404.559 0.323 20 0 HCADMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673253684 1080948062 /nfs/dbraw/zinc/94/80/62/1080948062.db2.gz TYNCMDOGIWLRLP-MAUKXSAKSA-N 1 1 404.559 0.323 20 0 HCADMO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673253685 1080948381 /nfs/dbraw/zinc/94/83/81/1080948381.db2.gz TYNCMDOGIWLRLP-QAPCUYQASA-N 1 1 404.559 0.323 20 0 HCADMO 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Cc1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(N2CCCC2)[nH+]1 ZINC000673255189 1080949970 /nfs/dbraw/zinc/94/99/70/1080949970.db2.gz HINLCSIVEAQHLQ-UHFFFAOYSA-N 1 1 416.526 0.015 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)c(N2CCCC2)[nH+]1 ZINC000673255281 1080950489 /nfs/dbraw/zinc/95/04/89/1080950489.db2.gz IKZAINZCLQBOKW-UHFFFAOYSA-N 1 1 411.510 0.689 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)c(N2CCCC2)[nH+]1 ZINC000673255314 1080950301 /nfs/dbraw/zinc/95/03/01/1080950301.db2.gz IWLNZMMIIYKEJC-UHFFFAOYSA-N 1 1 409.494 0.745 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)c(N2CCCC2)[nH+]1 ZINC000673255569 1080950420 /nfs/dbraw/zinc/95/04/20/1080950420.db2.gz LOMRMIRHSQUMOX-UHFFFAOYSA-N 1 1 401.511 0.933 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(N2CCCC2)[nH+]1 ZINC000673255610 1080950583 /nfs/dbraw/zinc/95/05/83/1080950583.db2.gz MFSRDZDNHALKPC-IBGZPJMESA-N 1 1 415.538 0.930 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(N2CCCC2)[nH+]1 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1080951044 /nfs/dbraw/zinc/95/10/44/1080951044.db2.gz WSTNIDWQKNBQTG-UHFFFAOYSA-N 1 1 417.554 0.912 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000673256426 1080951346 /nfs/dbraw/zinc/95/13/46/1080951346.db2.gz WXDOXLBAPLPWLO-IBGZPJMESA-N 1 1 415.538 0.930 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000673256427 1080951171 /nfs/dbraw/zinc/95/11/71/1080951171.db2.gz WXDOXLBAPLPWLO-LJQANCHMSA-N 1 1 415.538 0.930 20 0 HCADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256445 1080951393 /nfs/dbraw/zinc/95/13/93/1080951393.db2.gz XJTNOTYBSKMTQB-INIZCTEOSA-N 1 1 423.539 0.147 20 0 HCADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256446 1080951289 /nfs/dbraw/zinc/95/12/89/1080951289.db2.gz XJTNOTYBSKMTQB-MRXNPFEDSA-N 1 1 423.539 0.147 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(N2CCCC2)n1 ZINC000673256468 1080951191 /nfs/dbraw/zinc/95/11/91/1080951191.db2.gz XZOMJAHDZSQTOX-GOSISDBHSA-N 1 1 415.538 0.787 20 0 HCADMO Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(N2CCCC2)n1 ZINC000673256469 1080951364 /nfs/dbraw/zinc/95/13/64/1080951364.db2.gz XZOMJAHDZSQTOX-SFHVURJKSA-N 1 1 415.538 0.787 20 0 HCADMO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256550 1080951148 /nfs/dbraw/zinc/95/11/48/1080951148.db2.gz ALAKNXYHUGTCJW-INIZCTEOSA-N 1 1 423.539 0.147 20 0 HCADMO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256552 1080951272 /nfs/dbraw/zinc/95/12/72/1080951272.db2.gz ALAKNXYHUGTCJW-MRXNPFEDSA-N 1 1 423.539 0.147 20 0 HCADMO CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256568 1080950313 /nfs/dbraw/zinc/95/03/13/1080950313.db2.gz AOJZYTGHCLAQNP-KRWDZBQOSA-N 1 1 401.511 0.981 20 0 HCADMO CC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1 ZINC000673256570 1080950537 /nfs/dbraw/zinc/95/05/37/1080950537.db2.gz AOJZYTGHCLAQNP-QGZVFWFLSA-N 1 1 401.511 0.981 20 0 HCADMO 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C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000673554145 1081276378 /nfs/dbraw/zinc/27/63/78/1081276378.db2.gz YZZJRXCFKJLVOQ-IKGGRYGDSA-N 1 1 424.567 0.463 20 0 HCADMO C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000673554146 1081276350 /nfs/dbraw/zinc/27/63/50/1081276350.db2.gz YZZJRXCFKJLVOQ-IXDOHACOSA-N 1 1 424.567 0.463 20 0 HCADMO C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000673554147 1081276205 /nfs/dbraw/zinc/27/62/05/1081276205.db2.gz YZZJRXCFKJLVOQ-ZACQAIPSSA-N 1 1 424.567 0.463 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@@H](C)CO[C@H]3CCOC3)CC2)CC1 ZINC000673554288 1081275862 /nfs/dbraw/zinc/27/58/62/1081275862.db2.gz SKROMGVEWAUQHN-HKUYNNGSSA-N 1 1 410.559 0.314 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N[C@H](C)CO[C@@H]3CCOC3)CC2)CC1 ZINC000673554289 1081275838 /nfs/dbraw/zinc/27/58/38/1081275838.db2.gz SKROMGVEWAUQHN-IEBWSBKVSA-N 1 1 410.559 0.314 20 0 HCADMO 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0.051 20 0 HCADMO C1CC1Nc1nc(N2CCC3(CC2)OCCO3)nc(N2CCC3(CC2)OCCO3)[nH+]1 ZINC000762195672 1077825577 /nfs/dbraw/zinc/82/55/77/1077825577.db2.gz LFUHAILYBBNAHI-UHFFFAOYSA-N 1 1 418.498 0.554 20 0 HCADMO COC(=O)C1CCN(c2nc(NC3CC3)[nH+]c(N3CCC(C(=O)OC)CC3)n2)CC1 ZINC000762196303 1077825700 /nfs/dbraw/zinc/82/57/00/1077825700.db2.gz ODXGLSXCRQRPLV-UHFFFAOYSA-N 1 1 418.498 0.647 20 0 HCADMO CCC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CCN1CCOCC1 ZINC000762239798 1077831747 /nfs/dbraw/zinc/83/17/47/1077831747.db2.gz BMDZYHMNKYRTGA-IBGZPJMESA-N 1 1 410.559 0.271 20 0 HCADMO CCC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CCN1CCOCC1 ZINC000762239804 1077831752 /nfs/dbraw/zinc/83/17/52/1077831752.db2.gz BMDZYHMNKYRTGA-LJQANCHMSA-N 1 1 410.559 0.271 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000762246702 1077833982 /nfs/dbraw/zinc/83/39/82/1077833982.db2.gz IYTARVJMTMGCFL-IBGZPJMESA-N 1 1 421.567 0.734 20 0 HCADMO CC(C)[NH+]1CCN(C2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)CC1 ZINC000762246704 1077833938 /nfs/dbraw/zinc/83/39/38/1077833938.db2.gz IYTARVJMTMGCFL-LJQANCHMSA-N 1 1 421.567 0.734 20 0 HCADMO CC1(C2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)OCCO1 ZINC000762252638 1077833791 /nfs/dbraw/zinc/83/37/91/1077833791.db2.gz HVJANAHFJSUWJX-GOSISDBHSA-N 1 1 409.527 0.701 20 0 HCADMO CC1(C2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)OCCO1 ZINC000762252639 1077833820 /nfs/dbraw/zinc/83/38/20/1077833820.db2.gz HVJANAHFJSUWJX-SFHVURJKSA-N 1 1 409.527 0.701 20 0 HCADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762269997 1077835106 /nfs/dbraw/zinc/83/51/06/1077835106.db2.gz BJCXPFQNCUHRSC-GOSISDBHSA-N 1 1 410.540 0.564 20 0 HCADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762269998 1077835050 /nfs/dbraw/zinc/83/50/50/1077835050.db2.gz BJCXPFQNCUHRSC-SFHVURJKSA-N 1 1 410.540 0.564 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)COc1cccc(F)c1 ZINC000762301215 1077838600 /nfs/dbraw/zinc/83/86/00/1077838600.db2.gz SMTBJCZLZMFYTE-HKUYNNGSSA-N 1 1 423.485 0.395 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)COc1cccc(F)c1 ZINC000762301219 1077838627 /nfs/dbraw/zinc/83/86/27/1077838627.db2.gz SMTBJCZLZMFYTE-IEBWSBKVSA-N 1 1 423.485 0.395 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)COc1cccc(F)c1 ZINC000762301222 1077838658 /nfs/dbraw/zinc/83/86/58/1077838658.db2.gz SMTBJCZLZMFYTE-MJGOQNOKSA-N 1 1 423.485 0.395 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)COc1cccc(F)c1 ZINC000762301225 1077838653 /nfs/dbraw/zinc/83/86/53/1077838653.db2.gz SMTBJCZLZMFYTE-PKOBYXMFSA-N 1 1 423.485 0.395 20 0 HCADMO COc1ccccc1[C@@H](O)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000762330103 1077840985 /nfs/dbraw/zinc/84/09/85/1077840985.db2.gz ABCGNPCLSRHTJA-HKUYNNGSSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccccc1[C@H](O)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000762330104 1077840844 /nfs/dbraw/zinc/84/08/44/1077840844.db2.gz ABCGNPCLSRHTJA-IEBWSBKVSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccccc1[C@H](O)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000762330105 1077840863 /nfs/dbraw/zinc/84/08/63/1077840863.db2.gz ABCGNPCLSRHTJA-MJGOQNOKSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccccc1[C@@H](O)CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000762330106 1077840881 /nfs/dbraw/zinc/84/08/81/1077840881.db2.gz ABCGNPCLSRHTJA-PKOBYXMFSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000762345230 1077841867 /nfs/dbraw/zinc/84/18/67/1077841867.db2.gz BPMGFBSLEMKJFM-MOPGFXCFSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000762345237 1077841895 /nfs/dbraw/zinc/84/18/95/1077841895.db2.gz BPMGFBSLEMKJFM-OALUTQOASA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000762345245 1077841952 /nfs/dbraw/zinc/84/19/52/1077841952.db2.gz BPMGFBSLEMKJFM-RBUKOAKNSA-N 1 1 405.495 0.558 20 0 HCADMO COc1ccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000762345252 1077841931 /nfs/dbraw/zinc/84/19/31/1077841931.db2.gz BPMGFBSLEMKJFM-RTBURBONSA-N 1 1 405.495 0.558 20 0 HCADMO COc1cccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000762398438 1077846161 /nfs/dbraw/zinc/84/61/61/1077846161.db2.gz MPMLDOFQFCBYJC-MOPGFXCFSA-N 1 1 405.495 0.558 20 0 HCADMO COc1cccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000762398440 1077846115 /nfs/dbraw/zinc/84/61/15/1077846115.db2.gz MPMLDOFQFCBYJC-OALUTQOASA-N 1 1 405.495 0.558 20 0 HCADMO COc1cccc([C@@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000762398442 1077846175 /nfs/dbraw/zinc/84/61/75/1077846175.db2.gz MPMLDOFQFCBYJC-RBUKOAKNSA-N 1 1 405.495 0.558 20 0 HCADMO COc1cccc([C@H](O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000762398444 1077846128 /nfs/dbraw/zinc/84/61/28/1077846128.db2.gz MPMLDOFQFCBYJC-RTBURBONSA-N 1 1 405.495 0.558 20 0 HCADMO CCCn1cc(NC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 ZINC000762405944 1077846666 /nfs/dbraw/zinc/84/66/66/1077846666.db2.gz UDJYCKPDGPORDO-UHFFFAOYSA-N 1 1 412.494 0.936 20 0 HCADMO CCCn1cc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000762406067 1077846531 /nfs/dbraw/zinc/84/65/31/1077846531.db2.gz XRVVNQAGMIZHMF-UHFFFAOYSA-N 1 1 400.487 0.350 20 0 HCADMO CCCn1cc(NC(=O)C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000762441372 1077851282 /nfs/dbraw/zinc/85/12/82/1077851282.db2.gz VOHYUCXYNRWYAZ-UHFFFAOYSA-N 1 1 404.515 0.634 20 0 HCADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458547 1077852091 /nfs/dbraw/zinc/85/20/91/1077852091.db2.gz DHNPXXYWRNAIJD-ARFHVFGLSA-N 1 1 420.514 0.058 20 0 HCADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000762458550 1077852058 /nfs/dbraw/zinc/85/20/58/1077852058.db2.gz DHNPXXYWRNAIJD-BZUAXINKSA-N 1 1 420.514 0.058 20 0 HCADMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458555 1077852024 /nfs/dbraw/zinc/85/20/24/1077852024.db2.gz DHNPXXYWRNAIJD-HRCADAONSA-N 1 1 420.514 0.058 20 0 HCADMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000762458559 1077852082 /nfs/dbraw/zinc/85/20/82/1077852082.db2.gz DHNPXXYWRNAIJD-OAGGEKHMSA-N 1 1 420.514 0.058 20 0 HCADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000762494042 1077854705 /nfs/dbraw/zinc/85/47/05/1077854705.db2.gz MGXRTKPKQPMKLA-UHFFFAOYSA-N 1 1 408.524 0.414 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CSCCS3)cc2)CC1 ZINC000762513317 1077856724 /nfs/dbraw/zinc/85/67/24/1077856724.db2.gz VDGJSZJSOLGCNA-INIZCTEOSA-N 1 1 422.576 0.978 20 0 HCADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CSCCS3)cc2)CC1 ZINC000762513318 1077856791 /nfs/dbraw/zinc/85/67/91/1077856791.db2.gz VDGJSZJSOLGCNA-MRXNPFEDSA-N 1 1 422.576 0.978 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H](O)c1c(F)cccc1F ZINC000762515302 1077855968 /nfs/dbraw/zinc/85/59/68/1077855968.db2.gz JEEJIUJEOYOUTD-DLBZAZTESA-N 1 1 411.449 0.828 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H](O)c1c(F)cccc1F ZINC000762515303 1077855933 /nfs/dbraw/zinc/85/59/33/1077855933.db2.gz JEEJIUJEOYOUTD-IAGOWNOFSA-N 1 1 411.449 0.828 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H](O)c1c(F)cccc1F ZINC000762515304 1077855925 /nfs/dbraw/zinc/85/59/25/1077855925.db2.gz JEEJIUJEOYOUTD-IRXDYDNUSA-N 1 1 411.449 0.828 20 0 HCADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H](O)c1c(F)cccc1F ZINC000762515305 1077855975 /nfs/dbraw/zinc/85/59/75/1077855975.db2.gz JEEJIUJEOYOUTD-SJORKVTESA-N 1 1 411.449 0.828 20 0 HCADMO Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(N3CC[NH+](C)CC3)c(Cl)c1)C2 ZINC000762515794 1077856929 /nfs/dbraw/zinc/85/69/29/1077856929.db2.gz MQDWAQGZCKUYLL-UHFFFAOYSA-N 1 1 417.901 0.973 20 0 HCADMO CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)CCN2C1=O ZINC000762527260 1077857873 /nfs/dbraw/zinc/85/78/73/1077857873.db2.gz UDEFHJHEXFRLPA-AWEZNQCLSA-N 1 1 411.422 0.009 20 0 HCADMO CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)CCN2C1=O ZINC000762527265 1077857916 /nfs/dbraw/zinc/85/79/16/1077857916.db2.gz UDEFHJHEXFRLPA-CQSZACIVSA-N 1 1 411.422 0.009 20 0 HCADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(CCO)CCOC3)cc2Cl)CC1 ZINC000762539045 1077859311 /nfs/dbraw/zinc/85/93/11/1077859311.db2.gz JPJOFDVEZDGFFC-FQEVSTJZSA-N 1 1 424.929 0.936 20 0 HCADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(CCO)CCOC3)cc2Cl)CC1 ZINC000762539046 1077859294 /nfs/dbraw/zinc/85/92/94/1077859294.db2.gz JPJOFDVEZDGFFC-HXUWFJFHSA-N 1 1 424.929 0.936 20 0 HCADMO C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000762544856 1077860041 /nfs/dbraw/zinc/86/00/41/1077860041.db2.gz FOQAYNGEKWILQL-HNNXBMFYSA-N 1 1 410.540 0.706 20 0 HCADMO C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000762544860 1077860023 /nfs/dbraw/zinc/86/00/23/1077860023.db2.gz FOQAYNGEKWILQL-OAHLLOKOSA-N 1 1 410.540 0.706 20 0 HCADMO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000762545951 1077861267 /nfs/dbraw/zinc/86/12/67/1077861267.db2.gz NLOFMKYPRGPJAN-KRWDZBQOSA-N 1 1 401.511 0.894 20 0 HCADMO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000762545953 1077861347 /nfs/dbraw/zinc/86/13/47/1077861347.db2.gz NLOFMKYPRGPJAN-QGZVFWFLSA-N 1 1 401.511 0.894 20 0 HCADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762554572 1077862579 /nfs/dbraw/zinc/86/25/79/1077862579.db2.gz ITDFIDWRNKHMKB-AWEZNQCLSA-N 1 1 407.286 0.581 20 0 HCADMO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762554575 1077862559 /nfs/dbraw/zinc/86/25/59/1077862559.db2.gz ITDFIDWRNKHMKB-CQSZACIVSA-N 1 1 407.286 0.581 20 0 HCADMO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762554593 1077862636 /nfs/dbraw/zinc/86/26/36/1077862636.db2.gz JDGFWUZFVSJSGA-HNNXBMFYSA-N 1 1 421.313 0.971 20 0 HCADMO CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762554596 1077862585 /nfs/dbraw/zinc/86/25/85/1077862585.db2.gz JDGFWUZFVSJSGA-OAHLLOKOSA-N 1 1 421.313 0.971 20 0 HCADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000762554623 1077862601 /nfs/dbraw/zinc/86/26/01/1077862601.db2.gz KVHMMNIFBSNNRA-IBGZPJMESA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000762554624 1077862614 /nfs/dbraw/zinc/86/26/14/1077862614.db2.gz KVHMMNIFBSNNRA-LJQANCHMSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556796 1077862854 /nfs/dbraw/zinc/86/28/54/1077862854.db2.gz VWOUKSHCNNTYAN-HKUYNNGSSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556797 1077862922 /nfs/dbraw/zinc/86/29/22/1077862922.db2.gz VWOUKSHCNNTYAN-IEBWSBKVSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556798 1077862816 /nfs/dbraw/zinc/86/28/16/1077862816.db2.gz VWOUKSHCNNTYAN-MJGOQNOKSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 ZINC000762556799 1077862893 /nfs/dbraw/zinc/86/28/93/1077862893.db2.gz VWOUKSHCNNTYAN-PKOBYXMFSA-N 1 1 411.524 0.774 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000762556821 1077862846 /nfs/dbraw/zinc/86/28/46/1077862846.db2.gz WTXZLYAOFZVWOA-AWEZNQCLSA-N 1 1 407.286 0.581 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000762556822 1077862802 /nfs/dbraw/zinc/86/28/02/1077862802.db2.gz WTXZLYAOFZVWOA-CQSZACIVSA-N 1 1 407.286 0.581 20 0 HCADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556832 1077862835 /nfs/dbraw/zinc/86/28/35/1077862835.db2.gz XQGMXQASRJXSBU-HKUYNNGSSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556833 1077862941 /nfs/dbraw/zinc/86/29/41/1077862941.db2.gz XQGMXQASRJXSBU-IEBWSBKVSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556834 1077862911 /nfs/dbraw/zinc/86/29/11/1077862911.db2.gz XQGMXQASRJXSBU-MJGOQNOKSA-N 1 1 411.524 0.774 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000762556835 1077863057 /nfs/dbraw/zinc/86/30/57/1077863057.db2.gz XQGMXQASRJXSBU-PKOBYXMFSA-N 1 1 411.524 0.774 20 0 HCADMO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762556898 1077862934 /nfs/dbraw/zinc/86/29/34/1077862934.db2.gz ZJEXLWSDGYMCLI-DUMMIQTOSA-N 1 1 414.480 0.235 20 0 HCADMO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762556900 1077862876 /nfs/dbraw/zinc/86/28/76/1077862876.db2.gz ZJEXLWSDGYMCLI-OOFWQKGWSA-N 1 1 414.480 0.235 20 0 HCADMO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762556903 1077862827 /nfs/dbraw/zinc/86/28/27/1077862827.db2.gz ZJEXLWSDGYMCLI-QWNKOJSDSA-N 1 1 414.480 0.235 20 0 HCADMO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762556906 1077862929 /nfs/dbraw/zinc/86/29/29/1077862929.db2.gz ZJEXLWSDGYMCLI-XFHJGTJQSA-N 1 1 414.480 0.235 20 0 HCADMO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1=O ZINC000762583716 1077865556 /nfs/dbraw/zinc/86/55/56/1077865556.db2.gz VBQWAEITSBJWAF-KRWDZBQOSA-N 1 1 415.494 0.419 20 0 HCADMO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)C1=O ZINC000762583718 1077865570 /nfs/dbraw/zinc/86/55/70/1077865570.db2.gz VBQWAEITSBJWAF-QGZVFWFLSA-N 1 1 415.494 0.419 20 0 HCADMO CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000762595443 1077867183 /nfs/dbraw/zinc/86/71/83/1077867183.db2.gz SQQJSLVMSKHBSB-KRWDZBQOSA-N 1 1 411.547 0.559 20 0 HCADMO CC(C)(C)OC(=O)N1CC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000762595588 1077866951 /nfs/dbraw/zinc/86/69/51/1077866951.db2.gz SQQJSLVMSKHBSB-QGZVFWFLSA-N 1 1 411.547 0.559 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CCCO1 ZINC000762619752 1077870764 /nfs/dbraw/zinc/87/07/64/1077870764.db2.gz CYKZFBKJPASINY-INIZCTEOSA-N 1 1 412.531 0.683 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CCCO1 ZINC000762619753 1077870718 /nfs/dbraw/zinc/87/07/18/1077870718.db2.gz CYKZFBKJPASINY-MRXNPFEDSA-N 1 1 412.531 0.683 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CCCO1 ZINC000762621565 1077871141 /nfs/dbraw/zinc/87/11/41/1077871141.db2.gz LYGBSTUSUUTVGL-HNNXBMFYSA-N 1 1 408.524 0.684 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CCCO1 ZINC000762621566 1077871131 /nfs/dbraw/zinc/87/11/31/1077871131.db2.gz LYGBSTUSUUTVGL-OAHLLOKOSA-N 1 1 408.524 0.684 20 0 HCADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762621717 1077871175 /nfs/dbraw/zinc/87/11/75/1077871175.db2.gz DEYMQVKMIZKMOH-AWEZNQCLSA-N 1 1 408.459 0.002 20 0 HCADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762621717 1077871173 /nfs/dbraw/zinc/87/11/73/1077871173.db2.gz DEYMQVKMIZKMOH-AWEZNQCLSA-N 1 1 408.459 0.002 20 0 HCADMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762621719 1077871161 /nfs/dbraw/zinc/87/11/61/1077871161.db2.gz DEYMQVKMIZKMOH-CQSZACIVSA-N 1 1 408.459 0.002 20 0 HCADMO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762621719 1077871160 /nfs/dbraw/zinc/87/11/60/1077871160.db2.gz DEYMQVKMIZKMOH-CQSZACIVSA-N 1 1 408.459 0.002 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCCO1 ZINC000762622443 1077871505 /nfs/dbraw/zinc/87/15/05/1077871505.db2.gz PMAPJGQLCLJORN-KBXCAEBGSA-N 1 1 405.474 0.863 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCCO1 ZINC000762622444 1077871501 /nfs/dbraw/zinc/87/15/01/1077871501.db2.gz PMAPJGQLCLJORN-KDOFPFPSSA-N 1 1 405.474 0.863 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCCO1 ZINC000762622446 1077871450 /nfs/dbraw/zinc/87/14/50/1077871450.db2.gz PMAPJGQLCLJORN-KSSFIOAISA-N 1 1 405.474 0.863 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCCO1 ZINC000762622448 1077871457 /nfs/dbraw/zinc/87/14/57/1077871457.db2.gz PMAPJGQLCLJORN-RDTXWAMCSA-N 1 1 405.474 0.863 20 0 HCADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623438 1077871474 /nfs/dbraw/zinc/87/14/74/1077871474.db2.gz KXDRVGNHJIFCJB-BPKVKKHESA-N 1 1 423.495 0.682 20 0 HCADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623441 1077871413 /nfs/dbraw/zinc/87/14/13/1077871413.db2.gz KXDRVGNHJIFCJB-LWLPBDFMSA-N 1 1 423.495 0.682 20 0 HCADMO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623444 1077869873 /nfs/dbraw/zinc/86/98/73/1077869873.db2.gz KXDRVGNHJIFCJB-WFSQQTBHSA-N 1 1 423.495 0.682 20 0 HCADMO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000762623447 1077869844 /nfs/dbraw/zinc/86/98/44/1077869844.db2.gz KXDRVGNHJIFCJB-WPBJZHHJSA-N 1 1 423.495 0.682 20 0 HCADMO CCOC(=O)N1CCN(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000762623781 1077869558 /nfs/dbraw/zinc/86/95/58/1077869558.db2.gz LWDWANWWMFXGOR-INIZCTEOSA-N 1 1 418.560 0.628 20 0 HCADMO CCOC(=O)N1CCN(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000762623807 1077869857 /nfs/dbraw/zinc/86/98/57/1077869857.db2.gz LWDWANWWMFXGOR-MRXNPFEDSA-N 1 1 418.560 0.628 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623873 1077869836 /nfs/dbraw/zinc/86/98/36/1077869836.db2.gz NJBLVMPDUZMSTG-PBHICJAKSA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623873 1077869834 /nfs/dbraw/zinc/86/98/34/1077869834.db2.gz NJBLVMPDUZMSTG-PBHICJAKSA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623879 1077869828 /nfs/dbraw/zinc/86/98/28/1077869828.db2.gz NJBLVMPDUZMSTG-RHSMWYFYSA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623879 1077869825 /nfs/dbraw/zinc/86/98/25/1077869825.db2.gz NJBLVMPDUZMSTG-RHSMWYFYSA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623885 1077869763 /nfs/dbraw/zinc/86/97/63/1077869763.db2.gz NJBLVMPDUZMSTG-WMLDXEAASA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623885 1077869758 /nfs/dbraw/zinc/86/97/58/1077869758.db2.gz NJBLVMPDUZMSTG-WMLDXEAASA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623891 1077869733 /nfs/dbraw/zinc/86/97/33/1077869733.db2.gz NJBLVMPDUZMSTG-YOEHRIQHSA-N 1 1 408.480 0.839 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)nn1 ZINC000762623891 1077869730 /nfs/dbraw/zinc/86/97/30/1077869730.db2.gz NJBLVMPDUZMSTG-YOEHRIQHSA-N 1 1 408.480 0.839 20 0 HCADMO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762624087 1077869316 /nfs/dbraw/zinc/86/93/16/1077869316.db2.gz NXUOPGIUFRYJKY-HNNXBMFYSA-N 1 1 422.486 0.439 20 0 HCADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762624087 1077869313 /nfs/dbraw/zinc/86/93/13/1077869313.db2.gz NXUOPGIUFRYJKY-HNNXBMFYSA-N 1 1 422.486 0.439 20 0 HCADMO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762624089 1077869293 /nfs/dbraw/zinc/86/92/93/1077869293.db2.gz NXUOPGIUFRYJKY-OAHLLOKOSA-N 1 1 422.486 0.439 20 0 HCADMO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762624089 1077869292 /nfs/dbraw/zinc/86/92/92/1077869292.db2.gz NXUOPGIUFRYJKY-OAHLLOKOSA-N 1 1 422.486 0.439 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762634220 1077874725 /nfs/dbraw/zinc/87/47/25/1077874725.db2.gz NVKOZQDRTOTXLU-LLVKDONJSA-N 1 1 406.468 0.891 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C2)nn1 ZINC000762634222 1077874760 /nfs/dbraw/zinc/87/47/60/1077874760.db2.gz NVKOZQDRTOTXLU-NSHDSACASA-N 1 1 406.468 0.891 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)NC3CCC4(CC3)OCCO4)C2)nn1 ZINC000762634286 1077874738 /nfs/dbraw/zinc/87/47/38/1077874738.db2.gz OAWMMNSJQDGENX-HNNXBMFYSA-N 1 1 407.471 0.504 20 0 HCADMO COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)NC3CCC4(CC3)OCCO4)C2)nn1 ZINC000762634286 1077874735 /nfs/dbraw/zinc/87/47/35/1077874735.db2.gz OAWMMNSJQDGENX-HNNXBMFYSA-N 1 1 407.471 0.504 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)NC3CCC4(CC3)OCCO4)C2)nn1 ZINC000762634292 1077874711 /nfs/dbraw/zinc/87/47/11/1077874711.db2.gz OAWMMNSJQDGENX-OAHLLOKOSA-N 1 1 407.471 0.504 20 0 HCADMO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)NC3CCC4(CC3)OCCO4)C2)nn1 ZINC000762634292 1077874707 /nfs/dbraw/zinc/87/47/07/1077874707.db2.gz OAWMMNSJQDGENX-OAHLLOKOSA-N 1 1 407.471 0.504 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635125 1077874785 /nfs/dbraw/zinc/87/47/85/1077874785.db2.gz RHIIPGOTKKTKRH-CABCVRRESA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635125 1077874784 /nfs/dbraw/zinc/87/47/84/1077874784.db2.gz RHIIPGOTKKTKRH-CABCVRRESA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635127 1077874691 /nfs/dbraw/zinc/87/46/91/1077874691.db2.gz RHIIPGOTKKTKRH-GJZGRUSLSA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635127 1077874689 /nfs/dbraw/zinc/87/46/89/1077874689.db2.gz RHIIPGOTKKTKRH-GJZGRUSLSA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635129 1077874719 /nfs/dbraw/zinc/87/47/19/1077874719.db2.gz RHIIPGOTKKTKRH-HUUCEWRRSA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635129 1077874718 /nfs/dbraw/zinc/87/47/18/1077874718.db2.gz RHIIPGOTKKTKRH-HUUCEWRRSA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635132 1077874771 /nfs/dbraw/zinc/87/47/71/1077874771.db2.gz RHIIPGOTKKTKRH-LSDHHAIUSA-N 1 1 422.486 0.391 20 0 HCADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 ZINC000762635132 1077874770 /nfs/dbraw/zinc/87/47/70/1077874770.db2.gz RHIIPGOTKKTKRH-LSDHHAIUSA-N 1 1 422.486 0.391 20 0 HCADMO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1=O ZINC000762640649 1077873575 /nfs/dbraw/zinc/87/35/75/1077873575.db2.gz GMUIKSUSACKVPZ-INIZCTEOSA-N 1 1 402.495 0.800 20 0 HCADMO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1=O ZINC000762640650 1077873586 /nfs/dbraw/zinc/87/35/86/1077873586.db2.gz GMUIKSUSACKVPZ-MRXNPFEDSA-N 1 1 402.495 0.800 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643730 1077874181 /nfs/dbraw/zinc/87/41/81/1077874181.db2.gz RBWBHYJESCBRCU-AOMKIAJQSA-N 1 1 414.506 0.997 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643732 1077874213 /nfs/dbraw/zinc/87/42/13/1077874213.db2.gz RBWBHYJESCBRCU-KSFYIVLOSA-N 1 1 414.506 0.997 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643734 1077874158 /nfs/dbraw/zinc/87/41/58/1077874158.db2.gz RBWBHYJESCBRCU-OPAMFIHVSA-N 1 1 414.506 0.997 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CCCO1 ZINC000762643736 1077874237 /nfs/dbraw/zinc/87/42/37/1077874237.db2.gz RBWBHYJESCBRCU-ZHRRBRCNSA-N 1 1 414.506 0.997 20 0 HCADMO CC(C)(C)OC(=O)N1CC(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000762648846 1077876072 /nfs/dbraw/zinc/87/60/72/1077876072.db2.gz HSRHOTGAXRTXLX-KRWDZBQOSA-N 1 1 424.542 0.683 20 0 HCADMO CC(C)(C)OC(=O)N1CC(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000762648847 1077875990 /nfs/dbraw/zinc/87/59/90/1077875990.db2.gz HSRHOTGAXRTXLX-QGZVFWFLSA-N 1 1 424.542 0.683 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000762698138 1077884496 /nfs/dbraw/zinc/88/44/96/1077884496.db2.gz ASTLAYAUQQKTIR-INIZCTEOSA-N 1 1 414.256 0.342 20 0 HCADMO 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MRUNSXLMCAKABB-UHFFFAOYSA-N 1 1 407.492 0.859 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000762714011 1077890909 /nfs/dbraw/zinc/89/09/09/1077890909.db2.gz BBXIFJKOBDIRDE-CBHXRGPZSA-N 1 1 407.536 0.882 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000762714016 1077890903 /nfs/dbraw/zinc/89/09/03/1077890903.db2.gz BBXIFJKOBDIRDE-KRBJHKROSA-N 1 1 407.536 0.882 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000762714020 1077890579 /nfs/dbraw/zinc/89/05/79/1077890579.db2.gz BBXIFJKOBDIRDE-PCLFDXGNSA-N 1 1 407.536 0.882 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000762714025 1077890617 /nfs/dbraw/zinc/89/06/17/1077890617.db2.gz BBXIFJKOBDIRDE-VHNWJRSRSA-N 1 1 407.536 0.882 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cccn3c(I)cnc23)C1 ZINC000762714726 1077890958 /nfs/dbraw/zinc/89/09/58/1077890958.db2.gz CMZXBAFIIVAGMH-AWEZNQCLSA-N 1 1 400.220 0.735 20 0 HCADMO 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C[N@H+]1CC[C@@](O)(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000762721958 1077889133 /nfs/dbraw/zinc/88/91/33/1077889133.db2.gz HGYPSRAJISDLJN-LJQANCHMSA-N 1 1 410.540 0.601 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722394 1077891747 /nfs/dbraw/zinc/89/17/47/1077891747.db2.gz PVYNZEYXBYZNOE-KRWDZBQOSA-N 1 1 401.916 0.921 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC000762722396 1077891666 /nfs/dbraw/zinc/89/16/66/1077891666.db2.gz PVYNZEYXBYZNOE-QGZVFWFLSA-N 1 1 401.916 0.921 20 0 HCADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000762722512 1077891741 /nfs/dbraw/zinc/89/17/41/1077891741.db2.gz RFEAIXMARRLCJB-HNNXBMFYSA-N 1 1 420.329 0.496 20 0 HCADMO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1Br ZINC000762722516 1077891734 /nfs/dbraw/zinc/89/17/34/1077891734.db2.gz RFEAIXMARRLCJB-OAHLLOKOSA-N 1 1 420.329 0.496 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722935 1077889226 /nfs/dbraw/zinc/88/92/26/1077889226.db2.gz RQGLXTPOJVJWAB-GOSISDBHSA-N 1 1 407.858 0.619 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 ZINC000762722936 1077889147 /nfs/dbraw/zinc/88/91/47/1077889147.db2.gz RQGLXTPOJVJWAB-SFHVURJKSA-N 1 1 407.858 0.619 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000762725832 1077890008 /nfs/dbraw/zinc/89/00/08/1077890008.db2.gz ZFAFHVVPRRPBGC-IBGZPJMESA-N 1 1 406.508 0.030 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000762725837 1077889928 /nfs/dbraw/zinc/88/99/28/1077889928.db2.gz ZFAFHVVPRRPBGC-LJQANCHMSA-N 1 1 406.508 0.030 20 0 HCADMO CC(C)N(CCCNC(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C)S(C)(=O)=O ZINC000762742605 1077893681 /nfs/dbraw/zinc/89/36/81/1077893681.db2.gz YAFPRANDSPQPAY-HNNXBMFYSA-N 1 1 405.565 0.536 20 0 HCADMO CC(C)N(CCCNC(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C)S(C)(=O)=O ZINC000762742606 1077893714 /nfs/dbraw/zinc/89/37/14/1077893714.db2.gz YAFPRANDSPQPAY-OAHLLOKOSA-N 1 1 405.565 0.536 20 0 HCADMO C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786017 1077897206 /nfs/dbraw/zinc/89/72/06/1077897206.db2.gz JRKQBRBVOLQXHD-BBRMVZONSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786017 1077897205 /nfs/dbraw/zinc/89/72/05/1077897205.db2.gz JRKQBRBVOLQXHD-BBRMVZONSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786021 1077897266 /nfs/dbraw/zinc/89/72/66/1077897266.db2.gz JRKQBRBVOLQXHD-CJNGLKHVSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786021 1077897265 /nfs/dbraw/zinc/89/72/65/1077897265.db2.gz JRKQBRBVOLQXHD-CJNGLKHVSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786024 1077897291 /nfs/dbraw/zinc/89/72/91/1077897291.db2.gz JRKQBRBVOLQXHD-CZUORRHYSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786024 1077897289 /nfs/dbraw/zinc/89/72/89/1077897289.db2.gz JRKQBRBVOLQXHD-CZUORRHYSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786027 1077897306 /nfs/dbraw/zinc/89/73/06/1077897306.db2.gz JRKQBRBVOLQXHD-XJKSGUPXSA-N 1 1 405.542 0.129 20 0 HCADMO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000762786027 1077897302 /nfs/dbraw/zinc/89/73/02/1077897302.db2.gz JRKQBRBVOLQXHD-XJKSGUPXSA-N 1 1 405.542 0.129 20 0 HCADMO Cn1nccc1CCNc1nc(NCCc2ccnn2C)[nH+]c(N2CCOCC2)n1 ZINC000762799738 1077898350 /nfs/dbraw/zinc/89/83/50/1077898350.db2.gz PVOJIPRFGMZHRT-UHFFFAOYSA-N 1 1 412.502 0.484 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818498 1077898517 /nfs/dbraw/zinc/89/85/17/1077898517.db2.gz SMVNOHOENWCWSI-FCHUYYIVSA-N 1 1 410.474 0.790 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818501 1077898525 /nfs/dbraw/zinc/89/85/25/1077898525.db2.gz SMVNOHOENWCWSI-FGZHOGPDSA-N 1 1 410.474 0.790 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818504 1077898613 /nfs/dbraw/zinc/89/86/13/1077898613.db2.gz SMVNOHOENWCWSI-VXKWHMMOSA-N 1 1 410.474 0.790 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000762818505 1077898537 /nfs/dbraw/zinc/89/85/37/1077898537.db2.gz SMVNOHOENWCWSI-YADHBBJMSA-N 1 1 410.474 0.790 20 0 HCADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCc2ccnn2C)cc1 ZINC000762839841 1077899483 /nfs/dbraw/zinc/89/94/83/1077899483.db2.gz AQJGSVWRKSKVSW-UHFFFAOYSA-N 1 1 413.526 0.995 20 0 HCADMO COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762844757 1077900021 /nfs/dbraw/zinc/90/00/21/1077900021.db2.gz SCYSTFBCCDFPRQ-FQEVSTJZSA-N 1 1 405.499 0.170 20 0 HCADMO COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000762844760 1077900444 /nfs/dbraw/zinc/90/04/44/1077900444.db2.gz SCYSTFBCCDFPRQ-HXUWFJFHSA-N 1 1 405.499 0.170 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000762846869 1077900536 /nfs/dbraw/zinc/90/05/36/1077900536.db2.gz WIXVTUHAEYIRMN-AWEZNQCLSA-N 1 1 410.418 0.715 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 ZINC000762846871 1077900460 /nfs/dbraw/zinc/90/04/60/1077900460.db2.gz WIXVTUHAEYIRMN-CQSZACIVSA-N 1 1 410.418 0.715 20 0 HCADMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857708 1077901605 /nfs/dbraw/zinc/90/16/05/1077901605.db2.gz BDVPLFPCIYNZRY-INIZCTEOSA-N 1 1 405.904 0.952 20 0 HCADMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 ZINC000762857709 1077901651 /nfs/dbraw/zinc/90/16/51/1077901651.db2.gz BDVPLFPCIYNZRY-MRXNPFEDSA-N 1 1 405.904 0.952 20 0 HCADMO NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000762872767 1077906849 /nfs/dbraw/zinc/90/68/49/1077906849.db2.gz CELYYUONSLSGCJ-UHFFFAOYSA-N 1 1 418.475 0.230 20 0 HCADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000762939788 1077929631 /nfs/dbraw/zinc/92/96/31/1077929631.db2.gz WJBGNDPFQLJMFL-UHFFFAOYSA-N 1 1 402.904 0.094 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)Cn3cc([C@H](C)O)nn3)CC2)c1 ZINC000762956751 1077965668 /nfs/dbraw/zinc/96/56/68/1077965668.db2.gz GRWNGRQTGZLETM-INIZCTEOSA-N 1 1 401.467 0.527 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)Cn3cc([C@@H](C)O)nn3)CC2)c1 ZINC000762956766 1077963410 /nfs/dbraw/zinc/96/34/10/1077963410.db2.gz GRWNGRQTGZLETM-MRXNPFEDSA-N 1 1 401.467 0.527 20 0 HCADMO C[C@@H]1NC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980706 1077987118 /nfs/dbraw/zinc/98/71/18/1077987118.db2.gz ANLREHHCACOFAY-OXJNMPFZSA-N 1 1 421.501 0.860 20 0 HCADMO C[C@H]1NC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)=NN(c2ccccc2)C1=O ZINC000762980709 1077987535 /nfs/dbraw/zinc/98/75/35/1077987535.db2.gz ANLREHHCACOFAY-OXQOHEQNSA-N 1 1 421.501 0.860 20 0 HCADMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000762982304 1077986647 /nfs/dbraw/zinc/98/66/47/1077986647.db2.gz YOQPFPRNYHWDTH-GOSISDBHSA-N 1 1 416.503 0.019 20 0 HCADMO NC(=O)[C@@H]1CC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982311 1077986272 /nfs/dbraw/zinc/98/62/72/1077986272.db2.gz YWUQMGVRQGAYBG-CTNGQTDRSA-N 1 1 421.501 0.642 20 0 HCADMO NC(=O)[C@H]1CC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)=NN1c1ccccc1 ZINC000762982319 1077986802 /nfs/dbraw/zinc/98/68/02/1077986802.db2.gz YWUQMGVRQGAYBG-TZIWHRDSSA-N 1 1 421.501 0.642 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC000763004744 1077991975 /nfs/dbraw/zinc/99/19/75/1077991975.db2.gz XHRLOFZCDNYBGF-CYBMUJFWSA-N 1 1 420.445 0.770 20 0 HCADMO C[C@H](O)c1cn(CC(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC000763004745 1077991608 /nfs/dbraw/zinc/99/16/08/1077991608.db2.gz XHRLOFZCDNYBGF-ZDUSSCGKSA-N 1 1 420.445 0.770 20 0 HCADMO CN(C)C(=O)NCCN(C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000763017082 1077994517 /nfs/dbraw/zinc/99/45/17/1077994517.db2.gz VPYVBQCYEGZEFH-UHFFFAOYSA-N 1 1 414.551 0.842 20 0 HCADMO C[C@H](O)c1cn(CC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC000763023740 1077995538 /nfs/dbraw/zinc/99/55/38/1077995538.db2.gz FMFVHADTJFNQRQ-HNNXBMFYSA-N 1 1 416.482 0.309 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC000763023742 1077995906 /nfs/dbraw/zinc/99/59/06/1077995906.db2.gz FMFVHADTJFNQRQ-OAHLLOKOSA-N 1 1 416.482 0.309 20 0 HCADMO C[C@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)nn1 ZINC000763041126 1078000123 /nfs/dbraw/zinc/00/01/23/1078000123.db2.gz YPGZELMUQRZFAX-AWEZNQCLSA-N 1 1 422.511 0.296 20 0 HCADMO C[C@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)nn1 ZINC000763041126 1078000116 /nfs/dbraw/zinc/00/01/16/1078000116.db2.gz YPGZELMUQRZFAX-AWEZNQCLSA-N 1 1 422.511 0.296 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)nn1 ZINC000763041128 1078000143 /nfs/dbraw/zinc/00/01/43/1078000143.db2.gz YPGZELMUQRZFAX-CQSZACIVSA-N 1 1 422.511 0.296 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)nn1 ZINC000763041128 1078000136 /nfs/dbraw/zinc/00/01/36/1078000136.db2.gz YPGZELMUQRZFAX-CQSZACIVSA-N 1 1 422.511 0.296 20 0 HCADMO CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000763043385 1078000639 /nfs/dbraw/zinc/00/06/39/1078000639.db2.gz FTGSNVYLGHIFJM-CYBMUJFWSA-N 1 1 407.496 0.589 20 0 HCADMO CC(C)c1[nH+]ccn1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000763043387 1078000782 /nfs/dbraw/zinc/00/07/82/1078000782.db2.gz FTGSNVYLGHIFJM-ZDUSSCGKSA-N 1 1 407.496 0.589 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nn1 ZINC000763044465 1078000938 /nfs/dbraw/zinc/00/09/38/1078000938.db2.gz LKHAMRDSSLQEKI-PBHICJAKSA-N 1 1 400.483 0.345 20 0 HCADMO C[C@@H](O)c1cn(CC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000763044466 1078000988 /nfs/dbraw/zinc/00/09/88/1078000988.db2.gz LKHAMRDSSLQEKI-RHSMWYFYSA-N 1 1 400.483 0.345 20 0 HCADMO C[C@H](O)c1cn(CC(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000763044467 1078000914 /nfs/dbraw/zinc/00/09/14/1078000914.db2.gz LKHAMRDSSLQEKI-WMLDXEAASA-N 1 1 400.483 0.345 20 0 HCADMO C[C@H](O)c1cn(CC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nn1 ZINC000763044468 1078000951 /nfs/dbraw/zinc/00/09/51/1078000951.db2.gz LKHAMRDSSLQEKI-YOEHRIQHSA-N 1 1 400.483 0.345 20 0 HCADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000763057252 1078001190 /nfs/dbraw/zinc/00/11/90/1078001190.db2.gz VXTLWGOFDHGMFM-INIZCTEOSA-N 1 1 406.914 0.921 20 0 HCADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000763057255 1078001148 /nfs/dbraw/zinc/00/11/48/1078001148.db2.gz 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CCn1c(=O)c2ccccc2n(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1=O ZINC000763068762 1078001728 /nfs/dbraw/zinc/00/17/28/1078001728.db2.gz FGYXTOBJZOCBCQ-MRXNPFEDSA-N 1 1 402.495 0.536 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3cc([C@H](C)O)nn3)cc2)CC1 ZINC000763069528 1078003114 /nfs/dbraw/zinc/00/31/14/1078003114.db2.gz OTBYNVKRJKVSQU-HNNXBMFYSA-N 1 1 400.483 0.677 20 0 HCADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3cc([C@@H](C)O)nn3)cc2)CC1 ZINC000763069529 1078003040 /nfs/dbraw/zinc/00/30/40/1078003040.db2.gz OTBYNVKRJKVSQU-OAHLLOKOSA-N 1 1 400.483 0.677 20 0 HCADMO CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCC[N@H+]2CCC[C@H]2CO)C(=O)C1 ZINC000763071012 1078002632 /nfs/dbraw/zinc/00/26/32/1078002632.db2.gz DDTDRISKXIYSSC-INIZCTEOSA-N 1 1 412.531 0.419 20 0 HCADMO CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C(=O)C1 ZINC000763071021 1078002527 /nfs/dbraw/zinc/00/25/27/1078002527.db2.gz DDTDRISKXIYSSC-MRXNPFEDSA-N 1 1 412.531 0.419 20 0 HCADMO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1=O 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405.499 0.123 20 0 HCADMO C[NH+]1CCN(c2nc3ccccc3nc2N2CCN(CC[S@@](C)=O)CC2)CC1 ZINC000764156878 1079312624 /nfs/dbraw/zinc/31/26/24/1079312624.db2.gz HBOHDMWPHYJLLA-MUUNZHRXSA-N 1 1 402.568 0.882 20 0 HCADMO C[NH+]1CCN(c2nc3ccccc3nc2N2CCN(CC[S@](C)=O)CC2)CC1 ZINC000764156881 1079312683 /nfs/dbraw/zinc/31/26/83/1079312683.db2.gz HBOHDMWPHYJLLA-NDEPHWFRSA-N 1 1 402.568 0.882 20 0 HCADMO COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000764158039 1079313027 /nfs/dbraw/zinc/31/30/27/1079313027.db2.gz XICJFQNPPMAJJO-IBGZPJMESA-N 1 1 401.511 0.310 20 0 HCADMO COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000764158042 1079312893 /nfs/dbraw/zinc/31/28/93/1079312893.db2.gz XICJFQNPPMAJJO-LJQANCHMSA-N 1 1 401.511 0.310 20 0 HCADMO Cc1nc(N2CCN3C(=O)OCC[C@H]3C2)cc(N2CCN3C(=O)OCC[C@@H]3C2)[nH+]1 ZINC000764179702 1079314652 /nfs/dbraw/zinc/31/46/52/1079314652.db2.gz NJDJLBXEWHCMKM-GASCZTMLSA-N 1 1 402.455 0.847 20 0 HCADMO C[C@H]1C[N@@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CCCO1 ZINC000764185313 1079315837 /nfs/dbraw/zinc/31/58/37/1079315837.db2.gz BCZOSNQJUGRFFI-KRWDZBQOSA-N 1 1 412.556 0.906 20 0 HCADMO C[C@@H]1C[N@@H+](CCCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)CCCO1 ZINC000764185504 1079315919 /nfs/dbraw/zinc/31/59/19/1079315919.db2.gz BCZOSNQJUGRFFI-QGZVFWFLSA-N 1 1 412.556 0.906 20 0 HCADMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000764224107 1079320390 /nfs/dbraw/zinc/32/03/90/1079320390.db2.gz CLESCQUXFUOLFV-CYBMUJFWSA-N 1 1 424.523 0.909 20 0 HCADMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000764224110 1079320331 /nfs/dbraw/zinc/32/03/31/1079320331.db2.gz CLESCQUXFUOLFV-ZDUSSCGKSA-N 1 1 424.523 0.909 20 0 HCADMO CC[N@@H+](CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000764231245 1079321887 /nfs/dbraw/zinc/32/18/87/1079321887.db2.gz AECQOLNKWVEOFX-UHFFFAOYSA-N 1 1 420.514 0.765 20 0 HCADMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000764235472 1079321788 /nfs/dbraw/zinc/32/17/88/1079321788.db2.gz PZSIDGIUXYNDBW-UHFFFAOYSA-N 1 1 424.523 0.909 20 0 HCADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)C1 ZINC000764275839 1079324035 /nfs/dbraw/zinc/32/40/35/1079324035.db2.gz NCJMOVHMCMWCFL-GFCCVEGCSA-N 1 1 418.922 0.979 20 0 HCADMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)C1 ZINC000764275842 1079324127 /nfs/dbraw/zinc/32/41/27/1079324127.db2.gz NCJMOVHMCMWCFL-LBPRGKRZSA-N 1 1 418.922 0.979 20 0 HCADMO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@@H](O)C1CC1 ZINC000764282068 1079324452 /nfs/dbraw/zinc/32/44/52/1079324452.db2.gz DFYCEHZRKVQXNB-AVIKPIRVSA-N 1 1 404.492 0.937 20 0 HCADMO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C[C@H](O)C1CC1 ZINC000764282069 1079324520 /nfs/dbraw/zinc/32/45/20/1079324520.db2.gz DFYCEHZRKVQXNB-HVVQPJKBSA-N 1 1 404.492 0.937 20 0 HCADMO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@@H](O)C1CC1 ZINC000764282070 1079324543 /nfs/dbraw/zinc/32/45/43/1079324543.db2.gz DFYCEHZRKVQXNB-INQNZLQJSA-N 1 1 404.492 0.937 20 0 HCADMO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C[C@H](O)C1CC1 ZINC000764282071 1079324411 /nfs/dbraw/zinc/32/44/11/1079324411.db2.gz DFYCEHZRKVQXNB-WNLSXJKCSA-N 1 1 404.492 0.937 20 0 HCADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)CC1 ZINC000764292280 1079326626 /nfs/dbraw/zinc/32/66/26/1079326626.db2.gz GLIJQDLHGSTGQP-KRWDZBQOSA-N 1 1 401.467 0.430 20 0 HCADMO C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)CC1 ZINC000764292283 1079326561 /nfs/dbraw/zinc/32/65/61/1079326561.db2.gz GLIJQDLHGSTGQP-QGZVFWFLSA-N 1 1 401.467 0.430 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)C[C@H](C)O1 ZINC000764295358 1079327811 /nfs/dbraw/zinc/32/78/11/1079327811.db2.gz MLDKJEDNSSEHHZ-DAYGRLMNSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)C[C@H](C)O1 ZINC000764295358 1079327803 /nfs/dbraw/zinc/32/78/03/1079327803.db2.gz MLDKJEDNSSEHHZ-DAYGRLMNSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)C[C@@H](C)O1 ZINC000764295359 1079327671 /nfs/dbraw/zinc/32/76/71/1079327671.db2.gz MLDKJEDNSSEHHZ-IIDMSEBBSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)C[C@@H](C)O1 ZINC000764295360 1079328215 /nfs/dbraw/zinc/32/82/15/1079328215.db2.gz MLDKJEDNSSEHHZ-RKVPGOIHSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)C[C@H](C)O1 ZINC000764295361 1079328048 /nfs/dbraw/zinc/32/80/48/1079328048.db2.gz MLDKJEDNSSEHHZ-RVKKMQEKSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)C[C@H](C)O1 ZINC000764295361 1079328042 /nfs/dbraw/zinc/32/80/42/1079328042.db2.gz MLDKJEDNSSEHHZ-RVKKMQEKSA-N 1 1 416.478 0.897 20 0 HCADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2Cl)CC1 ZINC000764296354 1079329334 /nfs/dbraw/zinc/32/93/34/1079329334.db2.gz QPJJRUCBAKDZBZ-AWEZNQCLSA-N 1 1 421.885 0.693 20 0 HCADMO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2Cl)CC1 ZINC000764296357 1079329414 /nfs/dbraw/zinc/32/94/14/1079329414.db2.gz QPJJRUCBAKDZBZ-CQSZACIVSA-N 1 1 421.885 0.693 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)C[C@@H](C)O1 ZINC000764296395 1079329446 /nfs/dbraw/zinc/32/94/46/1079329446.db2.gz HJKKKNWRMPUXTH-BFYDXBDKSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)C[C@H](C)O1 ZINC000764296398 1079329386 /nfs/dbraw/zinc/32/93/86/1079329386.db2.gz HJKKKNWRMPUXTH-HLLBOEOZSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)C[C@H](C)O1 ZINC000764296398 1079329382 /nfs/dbraw/zinc/32/93/82/1079329382.db2.gz HJKKKNWRMPUXTH-HLLBOEOZSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)C[C@@H](C)O1 ZINC000764296401 1079329552 /nfs/dbraw/zinc/32/95/52/1079329552.db2.gz HJKKKNWRMPUXTH-INMHGKMJSA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)C[C@H](C)O1 ZINC000764296404 1079328933 /nfs/dbraw/zinc/32/89/33/1079328933.db2.gz HJKKKNWRMPUXTH-UXLLHSPISA-N 1 1 416.478 0.897 20 0 HCADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)C[C@H](C)O1 ZINC000764296404 1079328928 /nfs/dbraw/zinc/32/89/28/1079328928.db2.gz HJKKKNWRMPUXTH-UXLLHSPISA-N 1 1 416.478 0.897 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000764297351 1079330239 /nfs/dbraw/zinc/33/02/39/1079330239.db2.gz ZGBXIWCARJKIJX-PBHICJAKSA-N 1 1 402.451 0.681 20 0 HCADMO C[C@H](c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000764297352 1079330194 /nfs/dbraw/zinc/33/01/94/1079330194.db2.gz ZGBXIWCARJKIJX-RHSMWYFYSA-N 1 1 402.451 0.681 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1)[NH+]1CCOCC1 ZINC000764297353 1079330310 /nfs/dbraw/zinc/33/03/10/1079330310.db2.gz ZGBXIWCARJKIJX-WMLDXEAASA-N 1 1 402.451 0.681 20 0 HCADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1)[NH+]1CCOCC1 ZINC000764297354 1079330266 /nfs/dbraw/zinc/33/02/66/1079330266.db2.gz ZGBXIWCARJKIJX-YOEHRIQHSA-N 1 1 402.451 0.681 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000764299793 1079331152 /nfs/dbraw/zinc/33/11/52/1079331152.db2.gz WVEWWNWMBMMHDO-KRWDZBQOSA-N 1 1 402.451 0.163 20 0 HCADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000764299795 1079331256 /nfs/dbraw/zinc/33/12/56/1079331256.db2.gz WVEWWNWMBMMHDO-QGZVFWFLSA-N 1 1 402.451 0.163 20 0 HCADMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000764322774 1079332372 /nfs/dbraw/zinc/33/23/72/1079332372.db2.gz GDDQFJMUSFHISS-UHFFFAOYSA-N 1 1 401.851 0.822 20 0 HCADMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H]3C(C)(C)O)C2=O)c1 ZINC000764355797 1079334764 /nfs/dbraw/zinc/33/47/64/1079334764.db2.gz KBQOHJMDNOOFPZ-FOIQADDNSA-N 1 1 404.467 0.729 20 0 HCADMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H]3C(C)(C)O)C2=O)c1 ZINC000764355797 1079334758 /nfs/dbraw/zinc/33/47/58/1079334758.db2.gz KBQOHJMDNOOFPZ-FOIQADDNSA-N 1 1 404.467 0.729 20 0 HCADMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H]3C(C)(C)O)C2=O)c1 ZINC000764355800 1079334665 /nfs/dbraw/zinc/33/46/65/1079334665.db2.gz KBQOHJMDNOOFPZ-MGPUTAFESA-N 1 1 404.467 0.729 20 0 HCADMO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H]3C(C)(C)O)C2=O)c1 ZINC000764355800 1079334658 /nfs/dbraw/zinc/33/46/58/1079334658.db2.gz KBQOHJMDNOOFPZ-MGPUTAFESA-N 1 1 404.467 0.729 20 0 HCADMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H]3C(C)(C)O)C2=O)c1 ZINC000764355802 1079334686 /nfs/dbraw/zinc/33/46/86/1079334686.db2.gz KBQOHJMDNOOFPZ-QRWLVFNGSA-N 1 1 404.467 0.729 20 0 HCADMO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H]3C(C)(C)O)C2=O)c1 ZINC000764355802 1079334677 /nfs/dbraw/zinc/33/46/77/1079334677.db2.gz 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CCN1CC[NH+](CCCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000915267289 1077847335 /nfs/dbraw/zinc/84/73/35/1077847335.db2.gz UMRURNDNBQIQJK-OAQYLSRUSA-N 1 1 401.511 0.597 20 0 HCADMO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000915267546 1077847452 /nfs/dbraw/zinc/84/74/52/1077847452.db2.gz MCKFNMFONXUHRT-GOSISDBHSA-N 1 1 412.556 0.870 20 0 HCADMO CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000915267549 1077847517 /nfs/dbraw/zinc/84/75/17/1077847517.db2.gz MCKFNMFONXUHRT-SFHVURJKSA-N 1 1 412.556 0.870 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000915269103 1077848343 /nfs/dbraw/zinc/84/83/43/1077848343.db2.gz KSLCGFLNKQAATF-UHFFFAOYSA-N 1 1 414.553 0.141 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 ZINC000915269155 1077847154 /nfs/dbraw/zinc/84/71/54/1077847154.db2.gz NLDOKZXXLXVJIM-JXFKEZNVSA-N 1 1 420.510 0.782 20 0 HCADMO 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ZINC000916582133 1078094631 /nfs/dbraw/zinc/09/46/31/1078094631.db2.gz MTRCKVDCMLHZPA-UHFFFAOYSA-N 1 1 423.539 0.431 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000916596565 1078094824 /nfs/dbraw/zinc/09/48/24/1078094824.db2.gz COOLPANCJGFRCD-INIZCTEOSA-N 1 1 411.524 0.759 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000916596566 1078094753 /nfs/dbraw/zinc/09/47/53/1078094753.db2.gz COOLPANCJGFRCD-MRXNPFEDSA-N 1 1 411.524 0.759 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000916597059 1078094959 /nfs/dbraw/zinc/09/49/59/1078094959.db2.gz IEJQVDGUHRTMFM-AWEZNQCLSA-N 1 1 407.467 0.529 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000916597060 1078094813 /nfs/dbraw/zinc/09/48/13/1078094813.db2.gz IEJQVDGUHRTMFM-CQSZACIVSA-N 1 1 407.467 0.529 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000916597099 1078094778 /nfs/dbraw/zinc/09/47/78/1078094778.db2.gz KQQOVDVBBGGRRY-LLVKDONJSA-N 1 1 416.272 0.868 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000916597100 1078094739 /nfs/dbraw/zinc/09/47/39/1078094739.db2.gz KQQOVDVBBGGRRY-NSHDSACASA-N 1 1 416.272 0.868 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000916598916 1078094764 /nfs/dbraw/zinc/09/47/64/1078094764.db2.gz BPXDCIOUSJCTSZ-INIZCTEOSA-N 1 1 411.524 0.678 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000916598917 1078094897 /nfs/dbraw/zinc/09/48/97/1078094897.db2.gz BPXDCIOUSJCTSZ-MRXNPFEDSA-N 1 1 411.524 0.678 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000916599290 1078094910 /nfs/dbraw/zinc/09/49/10/1078094910.db2.gz MSKFANUMOVFZHZ-IDJPSDCMSA-N 1 1 409.508 0.673 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000916599291 1078094723 /nfs/dbraw/zinc/09/47/23/1078094723.db2.gz MSKFANUMOVFZHZ-IHWMJMDHSA-N 1 1 409.508 0.673 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000916599292 1078094802 /nfs/dbraw/zinc/09/48/02/1078094802.db2.gz MSKFANUMOVFZHZ-MBSJSRAVSA-N 1 1 409.508 0.673 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000916599293 1078094948 /nfs/dbraw/zinc/09/49/48/1078094948.db2.gz MSKFANUMOVFZHZ-SCZPIIQISA-N 1 1 409.508 0.673 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000916599303 1078094838 /nfs/dbraw/zinc/09/48/38/1078094838.db2.gz NJQUYQXIQBSWRJ-CYBMUJFWSA-N 1 1 401.460 0.200 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2F)CC1 ZINC000916599310 1078094868 /nfs/dbraw/zinc/09/48/68/1078094868.db2.gz NJQUYQXIQBSWRJ-ZDUSSCGKSA-N 1 1 401.460 0.200 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000916612117 1078096326 /nfs/dbraw/zinc/09/63/26/1078096326.db2.gz UNEACCZKFKDNQY-AWEZNQCLSA-N 1 1 415.487 0.590 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000916612118 1078096364 /nfs/dbraw/zinc/09/63/64/1078096364.db2.gz UNEACCZKFKDNQY-CQSZACIVSA-N 1 1 415.487 0.590 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000916613832 1078096306 /nfs/dbraw/zinc/09/63/06/1078096306.db2.gz ZFRIAHHZEDRAGY-INIZCTEOSA-N 1 1 411.524 0.678 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000916613833 1078096397 /nfs/dbraw/zinc/09/63/97/1078096397.db2.gz ZFRIAHHZEDRAGY-MRXNPFEDSA-N 1 1 411.524 0.678 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000916617793 1078097019 /nfs/dbraw/zinc/09/70/19/1078097019.db2.gz IDRRSFZIZXRJMC-CYBMUJFWSA-N 1 1 403.526 0.512 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000916617794 1078097006 /nfs/dbraw/zinc/09/70/06/1078097006.db2.gz IDRRSFZIZXRJMC-ZDUSSCGKSA-N 1 1 403.526 0.512 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916618522 1078097208 /nfs/dbraw/zinc/09/72/08/1078097208.db2.gz RHFQZFLYZJJLKA-AWEZNQCLSA-N 1 1 407.467 0.529 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000916618524 1078097321 /nfs/dbraw/zinc/09/73/21/1078097321.db2.gz RHFQZFLYZJJLKA-CQSZACIVSA-N 1 1 407.467 0.529 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916618794 1078097192 /nfs/dbraw/zinc/09/71/92/1078097192.db2.gz YQIMANBHWRSQLN-CYBMUJFWSA-N 1 1 417.915 0.714 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000916618796 1078097244 /nfs/dbraw/zinc/09/72/44/1078097244.db2.gz YQIMANBHWRSQLN-ZDUSSCGKSA-N 1 1 417.915 0.714 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000916621842 1078097273 /nfs/dbraw/zinc/09/72/73/1078097273.db2.gz MYFNYHLDEVKVCT-AUSJPIAWSA-N 1 1 408.499 0.583 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000916621843 1078097123 /nfs/dbraw/zinc/09/71/23/1078097123.db2.gz MYFNYHLDEVKVCT-AVYPCKFXSA-N 1 1 408.499 0.583 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000916621844 1078097139 /nfs/dbraw/zinc/09/71/39/1078097139.db2.gz MYFNYHLDEVKVCT-QEEYODRMSA-N 1 1 408.499 0.583 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000916621845 1078097259 /nfs/dbraw/zinc/09/72/59/1078097259.db2.gz MYFNYHLDEVKVCT-SIFCLUCFSA-N 1 1 408.499 0.583 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000916621886 1078097098 /nfs/dbraw/zinc/09/70/98/1078097098.db2.gz LXLOWOXSYJYAKK-CYBMUJFWSA-N 1 1 401.460 0.200 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000916621888 1078097484 /nfs/dbraw/zinc/09/74/84/1078097484.db2.gz LXLOWOXSYJYAKK-ZDUSSCGKSA-N 1 1 401.460 0.200 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)CC[C@@H]3NC(=O)NC3=O)CC2)c1 ZINC000916655637 1078115901 /nfs/dbraw/zinc/11/59/01/1078115901.db2.gz 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CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 ZINC000916980365 1078182573 /nfs/dbraw/zinc/18/25/73/1078182573.db2.gz LFWSSKAWRMEHTQ-LJQANCHMSA-N 1 1 422.570 0.808 20 0 HCADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000916980517 1078182289 /nfs/dbraw/zinc/18/22/89/1078182289.db2.gz RAQZZEYZCDODKA-GOSISDBHSA-N 1 1 408.543 0.418 20 0 HCADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 ZINC000916980518 1078182795 /nfs/dbraw/zinc/18/27/95/1078182795.db2.gz RAQZZEYZCDODKA-SFHVURJKSA-N 1 1 408.543 0.418 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000916982293 1078182905 /nfs/dbraw/zinc/18/29/05/1078182905.db2.gz CADNFPWQBGBNCS-HNNXBMFYSA-N 1 1 423.311 0.868 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000916982294 1078182771 /nfs/dbraw/zinc/18/27/71/1078182771.db2.gz CADNFPWQBGBNCS-OAHLLOKOSA-N 1 1 423.311 0.868 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 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CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)C1 ZINC000918477105 1078440945 /nfs/dbraw/zinc/44/09/45/1078440945.db2.gz RRBJUHGGURZRDM-OAHLLOKOSA-N 1 1 408.524 0.427 20 0 HCADMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000918477130 1078440953 /nfs/dbraw/zinc/44/09/53/1078440953.db2.gz STYGJVVTFBNQOJ-AWEZNQCLSA-N 1 1 407.902 0.815 20 0 HCADMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000918477131 1078440850 /nfs/dbraw/zinc/44/08/50/1078440850.db2.gz STYGJVVTFBNQOJ-CQSZACIVSA-N 1 1 407.902 0.815 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918547225 1078461942 /nfs/dbraw/zinc/46/19/42/1078461942.db2.gz LPPLZECXZCVCCL-HNNXBMFYSA-N 1 1 407.492 0.788 20 0 HCADMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918547226 1078461971 /nfs/dbraw/zinc/46/19/71/1078461971.db2.gz LPPLZECXZCVCCL-OAHLLOKOSA-N 1 1 407.492 0.788 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918552175 1078463236 /nfs/dbraw/zinc/46/32/36/1078463236.db2.gz OQVBYCMKTOLBCG-HNNXBMFYSA-N 1 1 407.492 0.788 20 0 HCADMO C[N@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918552176 1078463198 /nfs/dbraw/zinc/46/31/98/1078463198.db2.gz OQVBYCMKTOLBCG-OAHLLOKOSA-N 1 1 407.492 0.788 20 0 HCADMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000918556170 1078461309 /nfs/dbraw/zinc/46/13/09/1078461309.db2.gz KOVQEKOSRBAKEA-UHFFFAOYSA-N 1 1 406.508 0.361 20 0 HCADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2S1(=O)=O ZINC000918581430 1078474022 /nfs/dbraw/zinc/47/40/22/1078474022.db2.gz PERYHTSXFBABGJ-CVEARBPZSA-N 1 1 407.492 0.834 20 0 HCADMO COCCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2S1(=O)=O ZINC000918581433 1078473939 /nfs/dbraw/zinc/47/39/39/1078473939.db2.gz PERYHTSXFBABGJ-HOTGVXAUSA-N 1 1 407.492 0.834 20 0 HCADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2S1(=O)=O ZINC000918581711 1078473928 /nfs/dbraw/zinc/47/39/28/1078473928.db2.gz PERYHTSXFBABGJ-HZPDHXFCSA-N 1 1 407.492 0.834 20 0 HCADMO COCCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2S1(=O)=O ZINC000918581712 1078473999 /nfs/dbraw/zinc/47/39/99/1078473999.db2.gz PERYHTSXFBABGJ-JKSUJKDBSA-N 1 1 407.492 0.834 20 0 HCADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CCCN2C(=O)CNC2=O)CC1 ZINC000918597550 1078476841 /nfs/dbraw/zinc/47/68/41/1078476841.db2.gz HDGMIBBTEAXWCJ-UHFFFAOYSA-N 1 1 411.503 0.377 20 0 HCADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000918598064 1078477020 /nfs/dbraw/zinc/47/70/20/1078477020.db2.gz RNEOVIUCUOBNJY-UHFFFAOYSA-N 1 1 418.498 0.555 20 0 HCADMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)Cc2nc3ncccn3n2)CC1 ZINC000918598106 1078476961 /nfs/dbraw/zinc/47/69/61/1078476961.db2.gz RPNNKBLLRKBOHN-UHFFFAOYSA-N 1 1 403.487 0.726 20 0 HCADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000918623530 1078506123 /nfs/dbraw/zinc/50/61/23/1078506123.db2.gz XEDXJIDNXLBWRZ-UHFFFAOYSA-N 1 1 416.503 0.633 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1 ZINC000918660967 1078535246 /nfs/dbraw/zinc/53/52/46/1078535246.db2.gz CXQOVZBDDDZNNV-UHFFFAOYSA-N 1 1 419.239 0.917 20 0 HCADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 ZINC000918661563 1078534940 /nfs/dbraw/zinc/53/49/40/1078534940.db2.gz JMCHRGFJPKWWJI-UHFFFAOYSA-N 1 1 422.449 0.029 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000918688770 1078539062 /nfs/dbraw/zinc/53/90/62/1078539062.db2.gz DPLWEEVHNMHYNK-KRWDZBQOSA-N 1 1 416.522 0.760 20 0 HCADMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000918688771 1078539594 /nfs/dbraw/zinc/53/95/94/1078539594.db2.gz DPLWEEVHNMHYNK-QGZVFWFLSA-N 1 1 416.522 0.760 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000918695921 1078551436 /nfs/dbraw/zinc/55/14/36/1078551436.db2.gz FYGXAINKVVVHGQ-UHFFFAOYSA-N 1 1 404.492 0.776 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000918696098 1078551202 /nfs/dbraw/zinc/55/12/02/1078551202.db2.gz KDYXLROSIFXMIY-UHFFFAOYSA-N 1 1 403.458 0.584 20 0 HCADMO CN(C)S(=O)(=O)c1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000918696173 1078551343 /nfs/dbraw/zinc/55/13/43/1078551343.db2.gz NIOZJKJNUZFTNU-UHFFFAOYSA-N 1 1 416.931 0.484 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)CS[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696466 1078542928 /nfs/dbraw/zinc/54/29/28/1078542928.db2.gz UTCQSRSGACNBLP-GOSISDBHSA-N 1 1 411.593 0.971 20 0 HCADMO CN1CC[NH+](Cc2ccc(CNC(=O)CS[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000918696467 1078543268 /nfs/dbraw/zinc/54/32/68/1078543268.db2.gz UTCQSRSGACNBLP-SFHVURJKSA-N 1 1 411.593 0.971 20 0 HCADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000918697012 1078543547 /nfs/dbraw/zinc/54/35/47/1078543547.db2.gz FNIKSCIGZLYNFY-NRFANRHFSA-N 1 1 415.494 0.042 20 0 HCADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000918697013 1078543842 /nfs/dbraw/zinc/54/38/42/1078543842.db2.gz FNIKSCIGZLYNFY-OAQYLSRUSA-N 1 1 415.494 0.042 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000918697390 1078544729 /nfs/dbraw/zinc/54/47/29/1078544729.db2.gz LIFJLRFPSQSGED-INIZCTEOSA-N 1 1 406.914 0.969 20 0 HCADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000918697392 1078544319 /nfs/dbraw/zinc/54/43/19/1078544319.db2.gz LIFJLRFPSQSGED-MRXNPFEDSA-N 1 1 406.914 0.969 20 0 HCADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000918697424 1078544660 /nfs/dbraw/zinc/54/46/60/1078544660.db2.gz NCUPFOFMFNIWCZ-UHFFFAOYSA-N 1 1 402.904 0.142 20 0 HCADMO CCOc1ccc(N2C[C@@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000918698003 1078544298 /nfs/dbraw/zinc/54/42/98/1078544298.db2.gz UULGOLYKLOPMBA-INIZCTEOSA-N 1 1 402.495 0.719 20 0 HCADMO CCOc1ccc(N2C[C@H](C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000918698004 1078544453 /nfs/dbraw/zinc/54/44/53/1078544453.db2.gz UULGOLYKLOPMBA-MRXNPFEDSA-N 1 1 402.495 0.719 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698114 1078544525 /nfs/dbraw/zinc/54/45/25/1078544525.db2.gz AMMNPVVXLSZEKY-INIZCTEOSA-N 1 1 412.556 0.872 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1 ZINC000918698115 1078544706 /nfs/dbraw/zinc/54/47/06/1078544706.db2.gz AMMNPVVXLSZEKY-MRXNPFEDSA-N 1 1 412.556 0.872 20 0 HCADMO C[C@@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)CN1CC[NH+](C)CC1 ZINC000918698406 1078544422 /nfs/dbraw/zinc/54/44/22/1078544422.db2.gz DGFILTICSDGVKB-AOMKIAJQSA-N 1 1 413.522 0.380 20 0 HCADMO C[C@@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)CN1CC[NH+](C)CC1 ZINC000918698409 1078544747 /nfs/dbraw/zinc/54/47/47/1078544747.db2.gz DGFILTICSDGVKB-KSFYIVLOSA-N 1 1 413.522 0.380 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)CN1CC[NH+](C)CC1 ZINC000918698412 1078544361 /nfs/dbraw/zinc/54/43/61/1078544361.db2.gz DGFILTICSDGVKB-OPAMFIHVSA-N 1 1 413.522 0.380 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)CN1CC[NH+](C)CC1 ZINC000918698415 1078544390 /nfs/dbraw/zinc/54/43/90/1078544390.db2.gz DGFILTICSDGVKB-ZHRRBRCNSA-N 1 1 413.522 0.380 20 0 HCADMO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)CN1CC[NH+](C)CC1 ZINC000918698418 1078544335 /nfs/dbraw/zinc/54/43/35/1078544335.db2.gz DHRUUMJTHRFLLI-HRAATJIYSA-N 1 1 401.511 0.453 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)CN1CC[NH+](C)CC1 ZINC000918698421 1078544619 /nfs/dbraw/zinc/54/46/19/1078544619.db2.gz DHRUUMJTHRFLLI-IERDGZPVSA-N 1 1 401.511 0.453 20 0 HCADMO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)CN1CC[NH+](C)CC1 ZINC000918698423 1078544487 /nfs/dbraw/zinc/54/44/87/1078544487.db2.gz DHRUUMJTHRFLLI-IIBYNOLFSA-N 1 1 401.511 0.453 20 0 HCADMO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)CN1CC[NH+](C)CC1 ZINC000918698424 1078544562 /nfs/dbraw/zinc/54/45/62/1078544562.db2.gz DHRUUMJTHRFLLI-KKSFZXQISA-N 1 1 401.511 0.453 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698452 1078544680 /nfs/dbraw/zinc/54/46/80/1078544680.db2.gz DXFQIVNQVFNHRB-HTAPYJJXSA-N 1 1 415.538 0.843 20 0 HCADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698453 1078544592 /nfs/dbraw/zinc/54/45/92/1078544592.db2.gz DXFQIVNQVFNHRB-JTSKRJEESA-N 1 1 415.538 0.843 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000918698454 1078545396 /nfs/dbraw/zinc/54/53/96/1078545396.db2.gz DXFQIVNQVFNHRB-VGOFRKELSA-N 1 1 415.538 0.843 20 0 HCADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000918698456 1078545047 /nfs/dbraw/zinc/54/50/47/1078545047.db2.gz DXFQIVNQVFNHRB-VGSWGCGISA-N 1 1 415.538 0.843 20 0 HCADMO C[C@@H](CNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)CN1CC[NH+](C)CC1 ZINC000918698496 1078545470 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BTNHIOLFIFASCM-UHFFFAOYSA-N 1 1 412.556 0.967 20 0 HCADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000918699274 1078545426 /nfs/dbraw/zinc/54/54/26/1078545426.db2.gz OTFLRFSPOYYGJO-CYBMUJFWSA-N 1 1 402.948 0.861 20 0 HCADMO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000918699275 1078545196 /nfs/dbraw/zinc/54/51/96/1078545196.db2.gz OTFLRFSPOYYGJO-ZDUSSCGKSA-N 1 1 402.948 0.861 20 0 HCADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000918699284 1078545364 /nfs/dbraw/zinc/54/53/64/1078545364.db2.gz PMYDJKXXYAYHBG-HTAPYJJXSA-N 1 1 415.538 0.762 20 0 HCADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](C)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000918699285 1078545259 /nfs/dbraw/zinc/54/52/59/1078545259.db2.gz PMYDJKXXYAYHBG-JTSKRJEESA-N 1 1 415.538 0.762 20 0 HCADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000918699286 1078545079 /nfs/dbraw/zinc/54/50/79/1078545079.db2.gz PMYDJKXXYAYHBG-VGOFRKELSA-N 1 1 415.538 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O=C(CCN1CCCS1(=O)=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000919437933 1078863373 /nfs/dbraw/zinc/86/33/73/1078863373.db2.gz BZHCTNFBRBJUMI-UHFFFAOYSA-N 1 1 409.508 0.300 20 0 HCADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)CCN3CCCS3(=O)=O)CC2)c1 ZINC000919441935 1078869390 /nfs/dbraw/zinc/86/93/90/1078869390.db2.gz RWIMYXXPLGXPFX-UHFFFAOYSA-N 1 1 423.535 0.608 20 0 HCADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000919442312 1078869710 /nfs/dbraw/zinc/86/97/10/1078869710.db2.gz WQYFNLRXXGCCSI-KRWDZBQOSA-N 1 1 423.535 0.861 20 0 HCADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)CCN2CCCS2(=O)=O)CC1 ZINC000919442313 1078869775 /nfs/dbraw/zinc/86/97/75/1078869775.db2.gz WQYFNLRXXGCCSI-QGZVFWFLSA-N 1 1 423.535 0.861 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000919443966 1078870476 /nfs/dbraw/zinc/87/04/76/1078870476.db2.gz QASWZOGWGQKDQW-CYBMUJFWSA-N 1 1 415.487 0.785 20 0 HCADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 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1081094926 /nfs/dbraw/zinc/09/49/26/1081094926.db2.gz HKLNCDHCOFCKBA-KDERZEFRSA-N 1 1 402.495 0.668 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc3c([nH]2)CCOC3)O1 ZINC001003706156 1081094920 /nfs/dbraw/zinc/09/49/20/1081094920.db2.gz HKLNCDHCOFCKBA-KDERZEFRSA-N 1 1 402.495 0.668 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnc(N(C)C)c2)O1 ZINC001003706168 1081095256 /nfs/dbraw/zinc/09/52/56/1081095256.db2.gz HRFUUNHHDZVKDA-FXXCCUJSSA-N 1 1 401.511 0.728 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnc(N(C)C)c2)O1 ZINC001003706168 1081095249 /nfs/dbraw/zinc/09/52/49/1081095249.db2.gz HRFUUNHHDZVKDA-FXXCCUJSSA-N 1 1 401.511 0.728 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn3c2CCCC3)O1 ZINC001003706177 1081094855 /nfs/dbraw/zinc/09/48/55/1081094855.db2.gz ICJUCIAINBQGLQ-FRFIEDCNSA-N 1 1 401.511 0.800 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn3c2CCCC3)O1 ZINC001003706177 1081094849 /nfs/dbraw/zinc/09/48/49/1081094849.db2.gz ICJUCIAINBQGLQ-FRFIEDCNSA-N 1 1 401.511 0.800 20 0 HCADMO COc1cc[nH]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001003706178 1081095074 /nfs/dbraw/zinc/09/50/74/1081095074.db2.gz IDMHFKNHIFLUSR-AQDIXCGQSA-N 1 1 404.467 0.377 20 0 HCADMO COc1cc[nH]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001003706178 1081095065 /nfs/dbraw/zinc/09/50/65/1081095065.db2.gz IDMHFKNHIFLUSR-AQDIXCGQSA-N 1 1 404.467 0.377 20 0 HCADMO CCc1cc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)n(C)n1 ZINC001003706193 1081094880 /nfs/dbraw/zinc/09/48/80/1081094880.db2.gz IQTQRPSMCGAGHJ-NPIHVYMDSA-N 1 1 403.527 0.492 20 0 HCADMO CCc1cc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)n(C)n1 ZINC001003706193 1081094873 /nfs/dbraw/zinc/09/48/73/1081094873.db2.gz IQTQRPSMCGAGHJ-NPIHVYMDSA-N 1 1 403.527 0.492 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC3CC3)nn2)O1 ZINC001003706196 1081095104 /nfs/dbraw/zinc/09/51/04/1081095104.db2.gz IUJNORDWNOQZIF-FIFHEGHSSA-N 1 1 402.499 0.269 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC3CC3)nn2)O1 ZINC001003706196 1081095094 /nfs/dbraw/zinc/09/50/94/1081095094.db2.gz IUJNORDWNOQZIF-FIFHEGHSSA-N 1 1 402.499 0.269 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(N(C)C)nn2)O1 ZINC001003706204 1081094999 /nfs/dbraw/zinc/09/49/99/1081094999.db2.gz JCNNYYIUJAMSEX-LYHPXFHOSA-N 1 1 402.499 0.123 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(N(C)C)nn2)O1 ZINC001003706204 1081094994 /nfs/dbraw/zinc/09/49/94/1081094994.db2.gz JCNNYYIUJAMSEX-LYHPXFHOSA-N 1 1 402.499 0.123 20 0 HCADMO CCc1c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)nnn1CC ZINC001003706299 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc(N(C)C)cn2)O1 ZINC001003706360 1081094969 /nfs/dbraw/zinc/09/49/69/1081094969.db2.gz NRQFJOVBSOJEOW-VFPIZLKKSA-N 1 1 402.499 0.123 20 0 HCADMO CC(C)n1ccc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)n1 ZINC001003706493 1081095135 /nfs/dbraw/zinc/09/51/35/1081095135.db2.gz OUCFFIHKKSRGEE-RXABAKJHSA-N 1 1 403.527 0.974 20 0 HCADMO CC(C)n1ccc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)n1 ZINC001003706493 1081095126 /nfs/dbraw/zinc/09/51/26/1081095126.db2.gz OUCFFIHKKSRGEE-RXABAKJHSA-N 1 1 403.527 0.974 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncn(C(C)(C)C)n2)O1 ZINC001003706551 1081095620 /nfs/dbraw/zinc/09/56/20/1081095620.db2.gz QQLRWRQTPYAYRL-DGXTUMSLSA-N 1 1 404.515 0.614 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncn(C(C)(C)C)n2)O1 ZINC001003706551 1081095612 /nfs/dbraw/zinc/09/56/12/1081095612.db2.gz QQLRWRQTPYAYRL-DGXTUMSLSA-N 1 1 404.515 0.614 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2cnn(C)c2)O1 ZINC001003706587 1081095674 /nfs/dbraw/zinc/09/56/74/1081095674.db2.gz RWZOIAUVAYSVGY-FXXCCUJSSA-N 1 1 403.527 0.665 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)c2cnn(C)c2)O1 ZINC001003706587 1081095667 /nfs/dbraw/zinc/09/56/67/1081095667.db2.gz RWZOIAUVAYSVGY-FXXCCUJSSA-N 1 1 403.527 0.665 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC3CC3)c2)O1 ZINC001003706588 1081095852 /nfs/dbraw/zinc/09/58/52/1081095852.db2.gz RYGJFHNKCKSPRV-QSGLGXSPSA-N 1 1 401.511 0.874 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnn(CC3CC3)c2)O1 ZINC001003706588 1081095847 /nfs/dbraw/zinc/09/58/47/1081095847.db2.gz RYGJFHNKCKSPRV-QSGLGXSPSA-N 1 1 401.511 0.874 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(C)nc2C2CC2)O1 ZINC001003706699 1081095716 /nfs/dbraw/zinc/09/57/16/1081095716.db2.gz SKKCIFMXULEFLG-SAZZBMJHSA-N 1 1 401.511 0.878 20 0 HCADMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(C)nc2C2CC2)O1 ZINC001003706699 1081095709 /nfs/dbraw/zinc/09/57/09/1081095709.db2.gz SKKCIFMXULEFLG-SAZZBMJHSA-N 1 1 401.511 0.878 20 0 HCADMO Cc1nn(C)cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001003706753 1081095796 /nfs/dbraw/zinc/09/57/96/1081095796.db2.gz VLOWPAPPOJFFHQ-QSGLGXSPSA-N 1 1 403.527 0.628 20 0 HCADMO Cc1nn(C)cc1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001003706753 1081095794 /nfs/dbraw/zinc/09/57/94/1081095794.db2.gz VLOWPAPPOJFFHQ-QSGLGXSPSA-N 1 1 403.527 0.628 20 0 HCADMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C3CC3)nn2C)O1 ZINC001003706778 1081095818 /nfs/dbraw/zinc/09/58/18/1081095818.db2.gz WMZBHTOIYQCADC-BGWPOFIWSA-N 1 1 401.511 0.878 20 0 HCADMO 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ZINC001142931948 1079511369 /nfs/dbraw/zinc/51/13/69/1079511369.db2.gz SHNPXURXQQFZCY-UHFFFAOYSA-N 1 1 412.531 0.670 20 0 HCADMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21)C(=O)NCC(N)=O ZINC001143097018 1080687545 /nfs/dbraw/zinc/68/75/45/1080687545.db2.gz LCVSPZGFMLISBC-ROUUACIJSA-N 1 1 414.510 0.660 20 0 HCADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3ncn4C)CC2)C1=O ZINC001164633008 719272552 /nfs/dbraw/zinc/27/25/52/719272552.db2.gz FKNIZNYAWPGXKD-UHFFFAOYSA-N 1 1 407.906 0.776 20 0 HCADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3ncn4C)CC2)C1=O ZINC001164633008 719272550 /nfs/dbraw/zinc/27/25/50/719272550.db2.gz FKNIZNYAWPGXKD-UHFFFAOYSA-N 1 1 407.906 0.776 20 0 HCADMO COC(=O)c1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636381 719243989 /nfs/dbraw/zinc/24/39/89/719243989.db2.gz SLJRDROVXNRUPX-KBPBESRZSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636381 719243985 /nfs/dbraw/zinc/24/39/85/719243985.db2.gz SLJRDROVXNRUPX-KBPBESRZSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636383 719244114 /nfs/dbraw/zinc/24/41/14/719244114.db2.gz SLJRDROVXNRUPX-KGLIPLIRSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636383 719244111 /nfs/dbraw/zinc/24/41/11/719244111.db2.gz SLJRDROVXNRUPX-KGLIPLIRSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636386 719244060 /nfs/dbraw/zinc/24/40/60/719244060.db2.gz SLJRDROVXNRUPX-UONOGXRCSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@H](C)[N@H+](C)C[C@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636386 719244059 /nfs/dbraw/zinc/24/40/59/719244059.db2.gz SLJRDROVXNRUPX-UONOGXRCSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636388 719243745 /nfs/dbraw/zinc/24/37/45/719243745.db2.gz SLJRDROVXNRUPX-ZIAGYGMSSA-N 1 1 412.512 0.418 20 0 HCADMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC001164636388 719243742 /nfs/dbraw/zinc/24/37/42/719243742.db2.gz SLJRDROVXNRUPX-ZIAGYGMSSA-N 1 1 412.512 0.418 20 0 HCADMO COCCn1ccc2c1nc[nH+]c2N1CCC2(CC1)C(=O)N(CCOC)CCN2C ZINC001164637927 719275618 /nfs/dbraw/zinc/27/56/18/719275618.db2.gz BHBBEGXVSJSLCD-UHFFFAOYSA-N 1 1 416.526 0.837 20 0 HCADMO COCCN1CC[N@@H+](C)C2(CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC2)C1=O ZINC001164638131 719275062 /nfs/dbraw/zinc/27/50/62/719275062.db2.gz CYCGKRAVQXJYKK-UHFFFAOYSA-N 1 1 407.902 0.989 20 0 HCADMO COCCN1CC[N@H+](C)C2(CCN(c3[nH]c4cc(=O)[nH]c-4cc3Cl)CC2)C1=O ZINC001164638131 719275060 /nfs/dbraw/zinc/27/50/60/719275060.db2.gz CYCGKRAVQXJYKK-UHFFFAOYSA-N 1 1 407.902 0.989 20 0 HCADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc(OC)cnc43)CC2)C1=O ZINC001164639159 719278920 /nfs/dbraw/zinc/27/89/20/719278920.db2.gz ITSIRQXBOQNEQJ-UHFFFAOYSA-N 1 1 400.483 0.793 20 0 HCADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc(OC)cnc43)CC2)C1=O ZINC001164639159 719278919 /nfs/dbraw/zinc/27/89/19/719278919.db2.gz ITSIRQXBOQNEQJ-UHFFFAOYSA-N 1 1 400.483 0.793 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)n2)CC1 ZINC001164651697 719305352 /nfs/dbraw/zinc/30/53/52/719305352.db2.gz MDLPBIOCGGEIQQ-ABSDTBQOSA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164651699 719305290 /nfs/dbraw/zinc/30/52/90/719305290.db2.gz MDLPBIOCGGEIQQ-QKLQHJQFSA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)n2)CC1 ZINC001164651701 719305407 /nfs/dbraw/zinc/30/54/07/719305407.db2.gz MDLPBIOCGGEIQQ-SQGPQFPESA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)n2)CC1 ZINC001164651703 719305350 /nfs/dbraw/zinc/30/53/50/719305350.db2.gz MDLPBIOCGGEIQQ-ZWOKBUDYSA-N 1 1 400.527 0.835 20 0 HCADMO CN(C)C(=O)COCc1noc2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164663248 719341559 /nfs/dbraw/zinc/34/15/59/719341559.db2.gz XILHNVGWKWGRGA-UHFFFAOYSA-N 1 1 415.498 0.384 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)n2)CC1 ZINC001164676706 719560673 /nfs/dbraw/zinc/56/06/73/719560673.db2.gz FLMOWRJZHMQEQF-GOSISDBHSA-N 1 1 412.538 0.860 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)n2)CC1 ZINC001164676707 719560043 /nfs/dbraw/zinc/56/00/43/719560043.db2.gz FLMOWRJZHMQEQF-SFHVURJKSA-N 1 1 412.538 0.860 20 0 HCADMO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c12 ZINC001164677233 719573977 /nfs/dbraw/zinc/57/39/77/719573977.db2.gz WBAKOYTXMMKSRA-UHFFFAOYSA-N 1 1 412.454 0.579 20 0 HCADMO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164678191 719553656 /nfs/dbraw/zinc/55/36/56/719553656.db2.gz VWRLPALBOBWPOU-INIZCTEOSA-N 1 1 404.515 0.119 20 0 HCADMO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164678194 719554447 /nfs/dbraw/zinc/55/44/47/719554447.db2.gz VWRLPALBOBWPOU-MRXNPFEDSA-N 1 1 404.515 0.119 20 0 HCADMO CCc1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nc(N2CCOCC2)[nH+]1 ZINC001164678629 719582125 /nfs/dbraw/zinc/58/21/25/719582125.db2.gz QIOSHXRHHMTXIF-UHFFFAOYSA-N 1 1 414.514 0.320 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)n2)CC1 ZINC001164679323 719543145 /nfs/dbraw/zinc/54/31/45/719543145.db2.gz XSCKVCFFTVQMHZ-FGTMMUONSA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)n2)CC1 ZINC001164679324 719543175 /nfs/dbraw/zinc/54/31/75/719543175.db2.gz XSCKVCFFTVQMHZ-KURKYZTESA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)n2)CC1 ZINC001164679325 719543670 /nfs/dbraw/zinc/54/36/70/719543670.db2.gz XSCKVCFFTVQMHZ-KZNAEPCWSA-N 1 1 400.527 0.835 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)n2)CC1 ZINC001164679326 719544786 /nfs/dbraw/zinc/54/47/86/719544786.db2.gz XSCKVCFFTVQMHZ-SQNIBIBYSA-N 1 1 400.527 0.835 20 0 HCADMO CC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680591 719645297 /nfs/dbraw/zinc/64/52/97/719645297.db2.gz XLLPYEHBUWFNEC-UHFFFAOYSA-N 1 1 406.512 0.578 20 0 HCADMO CC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680591 719645288 /nfs/dbraw/zinc/64/52/88/719645288.db2.gz XLLPYEHBUWFNEC-UHFFFAOYSA-N 1 1 406.512 0.578 20 0 HCADMO C[NH+]1CCC(Oc2ccnc(N3CCn4c(CN5CCOCC5)nnc4C3)c2)CC1 ZINC001164680930 719590185 /nfs/dbraw/zinc/59/01/85/719590185.db2.gz TXBYZVPDXLPLTD-UHFFFAOYSA-N 1 1 413.526 0.999 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164681777 719702880 /nfs/dbraw/zinc/70/28/80/719702880.db2.gz AMQRWFUABGKGQF-UHFFFAOYSA-N 1 1 404.467 0.836 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCc4nnc(COc5ccccn5)n4CC3)n2)CC1 ZINC001164683034 719686683 /nfs/dbraw/zinc/68/66/83/719686683.db2.gz DWWRJMPUEDODKL-UHFFFAOYSA-N 1 1 421.509 0.857 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc3c(n1)N1CCC[C@H]1C(=O)N3C)CC2 ZINC001164683652 719719859 /nfs/dbraw/zinc/71/98/59/719719859.db2.gz BOGVBNMKVDFCDN-HNNXBMFYSA-N 1 1 413.526 0.603 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc3c(n1)N1CCC[C@@H]1C(=O)N3C)CC2 ZINC001164683656 719720550 /nfs/dbraw/zinc/72/05/50/719720550.db2.gz BOGVBNMKVDFCDN-OAHLLOKOSA-N 1 1 413.526 0.603 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)N3CCOCC3)cn1)CC2 ZINC001164683879 719699381 /nfs/dbraw/zinc/69/93/81/719699381.db2.gz LOHKMWFBCGPYHR-UHFFFAOYSA-N 1 1 401.511 0.735 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc(N3CCOCC3)n1)CC2 ZINC001164684102 719707363 /nfs/dbraw/zinc/70/73/63/719707363.db2.gz MYASLVHUXOFTPZ-UHFFFAOYSA-N 1 1 409.922 0.542 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(S(N)(=O)=O)cc1Cl)CC2 ZINC001164685333 719712136 /nfs/dbraw/zinc/71/21/36/719712136.db2.gz VIZAAUBHDQCSIW-UHFFFAOYSA-N 1 1 401.920 0.563 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164685457 719693563 /nfs/dbraw/zinc/69/35/63/719693563.db2.gz KAWHXIYYQBBWGW-UHFFFAOYSA-N 1 1 401.920 0.714 20 0 HCADMO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)CC2 ZINC001164685457 719693557 /nfs/dbraw/zinc/69/35/57/719693557.db2.gz KAWHXIYYQBBWGW-UHFFFAOYSA-N 1 1 401.920 0.714 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164686202 719710549 /nfs/dbraw/zinc/71/05/49/719710549.db2.gz YAJGPBHYBZHYET-UHFFFAOYSA-N 1 1 415.542 0.462 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)ccc1S(N)(=O)=O)CC2 ZINC001164689331 719750815 /nfs/dbraw/zinc/75/08/15/719750815.db2.gz BEZZQUQPZPFNCC-UHFFFAOYSA-N 1 1 401.920 0.563 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164689517 719740429 /nfs/dbraw/zinc/74/04/29/719740429.db2.gz GBCMXQKDIZEALU-UHFFFAOYSA-N 1 1 409.556 0.949 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164690022 719737329 /nfs/dbraw/zinc/73/73/29/719737329.db2.gz PJYBYPQNDGYGQK-UHFFFAOYSA-N 1 1 400.483 0.936 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164690165 719746578 /nfs/dbraw/zinc/74/65/78/719746578.db2.gz UYLPIWQMFYZRRX-UHFFFAOYSA-N 1 1 416.526 0.566 20 0 HCADMO CCOC(=O)c1cnc([S@@](C)=O)nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164690240 719736853 /nfs/dbraw/zinc/73/68/53/719736853.db2.gz WOCOCOROJWXKOV-GDLZYMKVSA-N 1 1 423.539 0.572 20 0 HCADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164690241 719737837 /nfs/dbraw/zinc/73/78/37/719737837.db2.gz WOCOCOROJWXKOV-LJAQVGFWSA-N 1 1 423.539 0.572 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(c(N4CCOCC4)n1)CNC3)CC2 ZINC001164690247 719736304 /nfs/dbraw/zinc/73/63/04/719736304.db2.gz WSAOILAOTSPPQX-UHFFFAOYSA-N 1 1 415.542 0.097 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164690285 719750795 /nfs/dbraw/zinc/75/07/95/719750795.db2.gz YHARWQPAGPQBSZ-HNNXBMFYSA-N 1 1 401.515 0.112 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164690286 719751221 /nfs/dbraw/zinc/75/12/21/719751221.db2.gz YHARWQPAGPQBSZ-OAHLLOKOSA-N 1 1 401.515 0.112 20 0 HCADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164690291 719742813 /nfs/dbraw/zinc/74/28/13/719742813.db2.gz YSEYOWZKPSYCCN-UHFFFAOYSA-N 1 1 407.540 0.703 20 0 HCADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702102 719841619 /nfs/dbraw/zinc/84/16/19/719841619.db2.gz NTOKDIKGUWILMD-DYESRHJHSA-N 1 1 418.542 0.461 20 0 HCADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702103 719841273 /nfs/dbraw/zinc/84/12/73/719841273.db2.gz NTOKDIKGUWILMD-LAUBAEHRSA-N 1 1 418.542 0.461 20 0 HCADMO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702104 719841373 /nfs/dbraw/zinc/84/13/73/719841373.db2.gz NTOKDIKGUWILMD-UTKZUKDTSA-N 1 1 418.542 0.461 20 0 HCADMO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(N2CC[NH+](C)CC2)nn1 ZINC001164702105 719841518 /nfs/dbraw/zinc/84/15/18/719841518.db2.gz NTOKDIKGUWILMD-UWJYYQICSA-N 1 1 418.542 0.461 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@H]4C3)n2)CC1 ZINC001164703848 719922438 /nfs/dbraw/zinc/92/24/38/719922438.db2.gz NQAOKWJICHPGSU-FGTMMUONSA-N 1 1 416.526 0.481 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)n2)CC1 ZINC001164704140 719923365 /nfs/dbraw/zinc/92/33/65/719923365.db2.gz NQAOKWJICHPGSU-KURKYZTESA-N 1 1 416.526 0.481 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)n2)CC1 ZINC001164704142 719922391 /nfs/dbraw/zinc/92/23/91/719922391.db2.gz NQAOKWJICHPGSU-KZNAEPCWSA-N 1 1 416.526 0.481 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)n2)CC1 ZINC001164704145 719922255 /nfs/dbraw/zinc/92/22/55/719922255.db2.gz NQAOKWJICHPGSU-SQNIBIBYSA-N 1 1 416.526 0.481 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@@H]4C3)n2)CC1 ZINC001164705441 719884654 /nfs/dbraw/zinc/88/46/54/719884654.db2.gz ZMRNYATZYMJFDX-BRWVUGGUSA-N 1 1 424.509 0.356 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@H]4C3)n2)CC1 ZINC001164705442 719884738 /nfs/dbraw/zinc/88/47/38/719884738.db2.gz ZMRNYATZYMJFDX-IKGGRYGDSA-N 1 1 424.509 0.356 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)n2)CC1 ZINC001164705443 719884636 /nfs/dbraw/zinc/88/46/36/719884636.db2.gz ZMRNYATZYMJFDX-IXDOHACOSA-N 1 1 424.509 0.356 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@H](C(=O)Nc5cnccn5)[C@@H]4C3)n2)CC1 ZINC001164705445 719884811 /nfs/dbraw/zinc/88/48/11/719884811.db2.gz ZMRNYATZYMJFDX-ZACQAIPSSA-N 1 1 424.509 0.356 20 0 HCADMO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706451 719874010 /nfs/dbraw/zinc/87/40/10/719874010.db2.gz PJMCDKLXFUBVRZ-DYESRHJHSA-N 1 1 418.542 0.461 20 0 HCADMO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccnc(N2CC[NH+](C)CC2)n1 ZINC001164706455 719874087 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Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@@H]3C2)cn1 ZINC001164770805 721185677 /nfs/dbraw/zinc/18/56/77/721185677.db2.gz OOFDYNUBYVFZRV-ROUUACIJSA-N 1 1 424.553 0.608 20 0 HCADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)CNC5)C[C@H]3C2)cn1 ZINC001164770807 721185020 /nfs/dbraw/zinc/18/50/20/721185020.db2.gz OOFDYNUBYVFZRV-ZWKOTPCHSA-N 1 1 424.553 0.608 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782070 721429990 /nfs/dbraw/zinc/42/99/90/721429990.db2.gz FPDBPDXBQGNGJX-RYUDHWBXSA-N 1 1 423.520 0.540 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782072 721430165 /nfs/dbraw/zinc/43/01/65/721430165.db2.gz FPDBPDXBQGNGJX-TXEJJXNPSA-N 1 1 423.520 0.540 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782072 721430163 /nfs/dbraw/zinc/43/01/63/721430163.db2.gz FPDBPDXBQGNGJX-TXEJJXNPSA-N 1 1 423.520 0.540 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782074 721429840 /nfs/dbraw/zinc/42/98/40/721429840.db2.gz FPDBPDXBQGNGJX-VXGBXAGGSA-N 1 1 423.520 0.540 20 0 HCADMO c1csc(CN2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)n1 ZINC001164782568 721422739 /nfs/dbraw/zinc/42/27/39/721422739.db2.gz GUWJMFNFXDAYPQ-GASCZTMLSA-N 1 1 413.551 0.941 20 0 HCADMO c1csc(CN2C[C@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@@H]3C2)n1 ZINC001164782573 721423145 /nfs/dbraw/zinc/42/31/45/721423145.db2.gz GUWJMFNFXDAYPQ-GJZGRUSLSA-N 1 1 413.551 0.941 20 0 HCADMO c1csc(CN2C[C@@H]3CN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)C[C@H]3C2)n1 ZINC001164782580 721423046 /nfs/dbraw/zinc/42/30/46/721423046.db2.gz GUWJMFNFXDAYPQ-HUUCEWRRSA-N 1 1 413.551 0.941 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)n2)CC1 ZINC001164791469 721482719 /nfs/dbraw/zinc/48/27/19/721482719.db2.gz IZXJCGVSKFKKKB-BZSNNMDCSA-N 1 1 416.526 0.624 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)n2)CC1 ZINC001164791471 721482556 /nfs/dbraw/zinc/48/25/56/721482556.db2.gz IZXJCGVSKFKKKB-KSZLIROESA-N 1 1 416.526 0.624 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)n2)CC1 ZINC001164791472 721482667 /nfs/dbraw/zinc/48/26/67/721482667.db2.gz IZXJCGVSKFKKKB-KURKYZTESA-N 1 1 416.526 0.624 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)n2)CC1 ZINC001164791475 721482603 /nfs/dbraw/zinc/48/26/03/721482603.db2.gz IZXJCGVSKFKKKB-SQNIBIBYSA-N 1 1 416.526 0.624 20 0 HCADMO CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001164794110 721510009 /nfs/dbraw/zinc/51/00/09/721510009.db2.gz GCUKKUFPBPRMFH-UHFFFAOYSA-N 1 1 402.934 0.740 20 0 HCADMO CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)CC1 ZINC001164794525 721508269 /nfs/dbraw/zinc/50/82/69/721508269.db2.gz AGIAFUDHWOEUDO-UHFFFAOYSA-N 1 1 402.934 0.740 20 0 HCADMO CN1CCN(Cc2cn3c(n2)CN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)CC1 ZINC001164795381 721519457 /nfs/dbraw/zinc/51/94/57/721519457.db2.gz OBXBFKVRORAPDJ-UHFFFAOYSA-N 1 1 412.542 0.572 20 0 HCADMO CN1CCN(Cc2cn3c(n2)CN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)CC1 ZINC001164797780 721515873 /nfs/dbraw/zinc/51/58/73/721515873.db2.gz NAOPNCWCPQKOTC-UHFFFAOYSA-N 1 1 424.553 0.091 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164800571 721547503 /nfs/dbraw/zinc/54/75/03/721547503.db2.gz CLAOMMYYXISBAJ-LMMKCTJWSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164800571 721547498 /nfs/dbraw/zinc/54/74/98/721547498.db2.gz CLAOMMYYXISBAJ-LMMKCTJWSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@H]2CCCO[C@H]12 ZINC001164800574 721547725 /nfs/dbraw/zinc/54/77/25/721547725.db2.gz CLAOMMYYXISBAJ-SCTDSRPQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@H]2CCCO[C@H]12 ZINC001164800574 721547723 /nfs/dbraw/zinc/54/77/23/721547723.db2.gz CLAOMMYYXISBAJ-SCTDSRPQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@H]2CCCO[C@@H]12 ZINC001164800576 721547561 /nfs/dbraw/zinc/54/75/61/721547561.db2.gz CLAOMMYYXISBAJ-YQVWRLOYSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@H]2CCCO[C@@H]12 ZINC001164800576 721547557 /nfs/dbraw/zinc/54/75/57/721547557.db2.gz CLAOMMYYXISBAJ-YQVWRLOYSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164800578 721547245 /nfs/dbraw/zinc/54/72/45/721547245.db2.gz CLAOMMYYXISBAJ-ZHALLVOQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164800578 721547241 /nfs/dbraw/zinc/54/72/41/721547241.db2.gz CLAOMMYYXISBAJ-ZHALLVOQSA-N 1 1 403.508 0.992 20 0 HCADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c2)CC1 ZINC001164801073 721599319 /nfs/dbraw/zinc/59/93/19/721599319.db2.gz NSRRKXIVSFWHBP-HOJAQTOUSA-N 1 1 424.505 0.978 20 0 HCADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)c2)CC1 ZINC001164801078 721599215 /nfs/dbraw/zinc/59/92/15/721599215.db2.gz NSRRKXIVSFWHBP-IHPCNDPISA-N 1 1 424.505 0.978 20 0 HCADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)c2)CC1 ZINC001164801081 721599190 /nfs/dbraw/zinc/59/91/90/721599190.db2.gz NSRRKXIVSFWHBP-YSIASYRMSA-N 1 1 424.505 0.978 20 0 HCADMO C[NH+]1CCC(Oc2ccnc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@H]43)c2)CC1 ZINC001164801083 721599291 /nfs/dbraw/zinc/59/92/91/721599291.db2.gz NSRRKXIVSFWHBP-YZGWKJHDSA-N 1 1 424.505 0.978 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)n2)CC1 ZINC001164806497 720051415 /nfs/dbraw/zinc/05/14/15/720051415.db2.gz SLXUWWWYCUSWJT-GHTZIAJQSA-N 1 1 413.526 0.880 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCOC[C@]4(CC[C@H](Cn5cccn5)O4)C3)n2)CC1 ZINC001164806498 720050872 /nfs/dbraw/zinc/05/08/72/720050872.db2.gz SLXUWWWYCUSWJT-NQIIRXRSSA-N 1 1 413.526 0.880 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)n2)CC1 ZINC001164806499 720051030 /nfs/dbraw/zinc/05/10/30/720051030.db2.gz SLXUWWWYCUSWJT-RXVVDRJESA-N 1 1 413.526 0.880 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCOC[C@@]4(CC[C@H](Cn5cccn5)O4)C3)n2)CC1 ZINC001164806500 720051227 /nfs/dbraw/zinc/05/12/27/720051227.db2.gz SLXUWWWYCUSWJT-WIYYLYMNSA-N 1 1 413.526 0.880 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164808139 721584136 /nfs/dbraw/zinc/58/41/36/721584136.db2.gz PZTJTFPBGSJNEU-LMMKCTJWSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164808139 721584135 /nfs/dbraw/zinc/58/41/35/721584135.db2.gz PZTJTFPBGSJNEU-LMMKCTJWSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@H]2CCCO[C@H]12 ZINC001164808145 721584480 /nfs/dbraw/zinc/58/44/80/721584480.db2.gz PZTJTFPBGSJNEU-SCTDSRPQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@H]2CCCO[C@H]12 ZINC001164808145 721584479 /nfs/dbraw/zinc/58/44/79/721584479.db2.gz PZTJTFPBGSJNEU-SCTDSRPQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164808150 721584249 /nfs/dbraw/zinc/58/42/49/721584249.db2.gz PZTJTFPBGSJNEU-YQVWRLOYSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164808150 721584245 /nfs/dbraw/zinc/58/42/45/721584245.db2.gz PZTJTFPBGSJNEU-YQVWRLOYSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164808154 721585338 /nfs/dbraw/zinc/58/53/38/721585338.db2.gz PZTJTFPBGSJNEU-ZHALLVOQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(S(N)(=O)=O)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164808154 721585334 /nfs/dbraw/zinc/58/53/34/721585334.db2.gz PZTJTFPBGSJNEU-ZHALLVOQSA-N 1 1 403.508 0.992 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)nn2)[C@H]2CCCO[C@H]12 ZINC001164808945 721586673 /nfs/dbraw/zinc/58/66/73/721586673.db2.gz RWNLBVRFMXJFTB-DAYGRLMNSA-N 1 1 404.496 0.387 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)nn2)[C@H]2CCCO[C@H]12 ZINC001164808945 721586671 /nfs/dbraw/zinc/58/66/71/721586671.db2.gz RWNLBVRFMXJFTB-DAYGRLMNSA-N 1 1 404.496 0.387 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)nn2)[C@H]2CCCO[C@@H]12 ZINC001164808947 721586413 /nfs/dbraw/zinc/58/64/13/721586413.db2.gz RWNLBVRFMXJFTB-HDMKZQKVSA-N 1 1 404.496 0.387 20 0 HCADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)nn2)[C@H]2CCCO[C@@H]12 ZINC001164808947 721586409 /nfs/dbraw/zinc/58/64/09/721586409.db2.gz RWNLBVRFMXJFTB-HDMKZQKVSA-N 1 1 404.496 0.387 20 0 HCADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(N)(=O)=O)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164808949 721586473 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ZINC001164881722 721344866 /nfs/dbraw/zinc/34/48/66/721344866.db2.gz ABPQABLLYRTIBC-UWJYYQICSA-N 1 1 400.527 0.740 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4[C@H](C3)OCC(=O)N4c3cccc(F)c3)n2)CC1 ZINC001164883326 721366930 /nfs/dbraw/zinc/36/69/30/721366930.db2.gz PHGHPVNQPFSTEX-MSOLQXFVSA-N 1 1 412.469 0.988 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@@H]4C3)n2)CC1 ZINC001164883327 721367048 /nfs/dbraw/zinc/36/70/48/721367048.db2.gz PHGHPVNQPFSTEX-QZTJIDSGSA-N 1 1 412.469 0.988 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)n2)CC1 ZINC001164883328 721366959 /nfs/dbraw/zinc/36/69/59/721366959.db2.gz PHGHPVNQPFSTEX-ROUUACIJSA-N 1 1 412.469 0.988 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)n2)CC1 ZINC001164883329 721367200 /nfs/dbraw/zinc/36/72/00/721367200.db2.gz PHGHPVNQPFSTEX-ZWKOTPCHSA-N 1 1 412.469 0.988 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883621 721419540 /nfs/dbraw/zinc/41/95/40/721419540.db2.gz BIFSRXIEHABFLE-AUUYWEPGSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883623 721419981 /nfs/dbraw/zinc/41/99/81/721419981.db2.gz BIFSRXIEHABFLE-IFXJQAMLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883626 721419678 /nfs/dbraw/zinc/41/96/78/721419678.db2.gz BIFSRXIEHABFLE-KUHUBIRLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164883627 721419849 /nfs/dbraw/zinc/41/98/49/721419849.db2.gz BIFSRXIEHABFLE-LIRRHRJNSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884573 721401933 /nfs/dbraw/zinc/40/19/33/721401933.db2.gz FAEMHDPXYBMZJB-AUUYWEPGSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884575 721402230 /nfs/dbraw/zinc/40/22/30/721402230.db2.gz FAEMHDPXYBMZJB-IFXJQAMLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884577 721402071 /nfs/dbraw/zinc/40/20/71/721402071.db2.gz FAEMHDPXYBMZJB-KUHUBIRLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cnc4C(N)=O)C3)O2)CC1 ZINC001164884579 721401929 /nfs/dbraw/zinc/40/19/29/721401929.db2.gz FAEMHDPXYBMZJB-LIRRHRJNSA-N 1 1 408.934 0.994 20 0 HCADMO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885011 721382082 /nfs/dbraw/zinc/38/20/82/721382082.db2.gz BNRZCTWQXFTCLE-AVRDEDQJSA-N 1 1 400.571 0.930 20 0 HCADMO CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885012 721381889 /nfs/dbraw/zinc/38/18/89/721381889.db2.gz BNRZCTWQXFTCLE-GCJKJVERSA-N 1 1 400.571 0.930 20 0 HCADMO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885013 721381599 /nfs/dbraw/zinc/38/15/99/721381599.db2.gz BNRZCTWQXFTCLE-PGRDOPGGSA-N 1 1 400.571 0.930 20 0 HCADMO CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4CC[NH2+]CC5)C3)O2)CC1 ZINC001164885014 721381634 /nfs/dbraw/zinc/38/16/34/721381634.db2.gz BNRZCTWQXFTCLE-XMSQKQJNSA-N 1 1 400.571 0.930 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886488 721451835 /nfs/dbraw/zinc/45/18/35/721451835.db2.gz GWLGZLKBAFHPCM-APWZRJJASA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886490 721451664 /nfs/dbraw/zinc/45/16/64/721451664.db2.gz GWLGZLKBAFHPCM-LPHOPBHVSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886492 721451968 /nfs/dbraw/zinc/45/19/68/721451968.db2.gz GWLGZLKBAFHPCM-QFBILLFUSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc(S(N)(=O)=O)n4)C3)O2)CC1 ZINC001164886494 721451686 /nfs/dbraw/zinc/45/16/86/721451686.db2.gz GWLGZLKBAFHPCM-VQIMIIECSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888310 721401952 /nfs/dbraw/zinc/40/19/52/721401952.db2.gz OBLFYTHLEZLBLL-AUUYWEPGSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888313 721402095 /nfs/dbraw/zinc/40/20/95/721402095.db2.gz OBLFYTHLEZLBLL-IFXJQAMLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888316 721402286 /nfs/dbraw/zinc/40/22/86/721402286.db2.gz OBLFYTHLEZLBLL-KUHUBIRLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C(N)=O)n4)C3)O2)CC1 ZINC001164888318 721402407 /nfs/dbraw/zinc/40/24/07/721402407.db2.gz OBLFYTHLEZLBLL-LIRRHRJNSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888678 721441956 /nfs/dbraw/zinc/44/19/56/721441956.db2.gz AFIWWLSDLORIIV-APWZRJJASA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888679 721442093 /nfs/dbraw/zinc/44/20/93/721442093.db2.gz AFIWWLSDLORIIV-LPHOPBHVSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888680 721442160 /nfs/dbraw/zinc/44/21/60/721442160.db2.gz AFIWWLSDLORIIV-QFBILLFUSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(S(N)(=O)=O)ccn4)C3)O2)CC1 ZINC001164888681 721442035 /nfs/dbraw/zinc/44/20/35/721442035.db2.gz AFIWWLSDLORIIV-VQIMIIECSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888977 721419506 /nfs/dbraw/zinc/41/95/06/721419506.db2.gz PWJCDTYVIZZQAZ-AUUYWEPGSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888981 721419879 /nfs/dbraw/zinc/41/98/79/721419879.db2.gz PWJCDTYVIZZQAZ-IFXJQAMLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888984 721419786 /nfs/dbraw/zinc/41/97/86/721419786.db2.gz PWJCDTYVIZZQAZ-KUHUBIRLSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc(Cl)c4C(N)=O)C3)O2)CC1 ZINC001164888987 721419649 /nfs/dbraw/zinc/41/96/49/721419649.db2.gz PWJCDTYVIZZQAZ-LIRRHRJNSA-N 1 1 408.934 0.994 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889448 721404319 /nfs/dbraw/zinc/40/43/19/721404319.db2.gz QOJRIDZJOOUKJS-APWZRJJASA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889449 721404026 /nfs/dbraw/zinc/40/40/26/721404026.db2.gz QOJRIDZJOOUKJS-LPHOPBHVSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889450 721405038 /nfs/dbraw/zinc/40/50/38/721405038.db2.gz QOJRIDZJOOUKJS-QFBILLFUSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)cn4)C3)O2)CC1 ZINC001164889451 721404827 /nfs/dbraw/zinc/40/48/27/721404827.db2.gz QOJRIDZJOOUKJS-VQIMIIECSA-N 1 1 409.556 0.494 20 0 HCADMO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889606 721437976 /nfs/dbraw/zinc/43/79/76/721437976.db2.gz CGXGTHCNQYSODX-DYESRHJHSA-N 1 1 402.543 0.944 20 0 HCADMO CN(C)C(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889608 721438012 /nfs/dbraw/zinc/43/80/12/721438012.db2.gz CGXGTHCNQYSODX-LAUBAEHRSA-N 1 1 402.543 0.944 20 0 HCADMO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889610 721438313 /nfs/dbraw/zinc/43/83/13/721438313.db2.gz CGXGTHCNQYSODX-UTKZUKDTSA-N 1 1 402.543 0.944 20 0 HCADMO CN(C)C(=O)c1cncc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164889612 721437907 /nfs/dbraw/zinc/43/79/07/721437907.db2.gz CGXGTHCNQYSODX-UWJYYQICSA-N 1 1 402.543 0.944 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164889882 721419927 /nfs/dbraw/zinc/41/99/27/721419927.db2.gz RUXNJGUIYAXTAI-HRAATJIYSA-N 1 1 415.542 0.630 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164889889 721419819 /nfs/dbraw/zinc/41/98/19/721419819.db2.gz RUXNJGUIYAXTAI-IERDGZPVSA-N 1 1 415.542 0.630 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164889893 721419617 /nfs/dbraw/zinc/41/96/17/721419617.db2.gz RUXNJGUIYAXTAI-IIBYNOLFSA-N 1 1 415.542 0.630 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc21 ZINC001164889900 721419576 /nfs/dbraw/zinc/41/95/76/721419576.db2.gz RUXNJGUIYAXTAI-KKSFZXQISA-N 1 1 415.542 0.630 20 0 HCADMO CNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164890224 721434222 /nfs/dbraw/zinc/43/42/22/721434222.db2.gz CLAPTJFUSOIIDM-FXAWDEMLSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164890225 721433767 /nfs/dbraw/zinc/43/37/67/721433767.db2.gz CLAPTJFUSOIIDM-PXNSSMCTSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164890226 721433966 /nfs/dbraw/zinc/43/39/66/721433966.db2.gz CLAPTJFUSOIIDM-XLIONFOSSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164890227 721434323 /nfs/dbraw/zinc/43/43/23/721434323.db2.gz CLAPTJFUSOIIDM-YLJYHZDGSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891404 721422119 /nfs/dbraw/zinc/42/21/19/721422119.db2.gz VYEGOQRYPVGDGN-FXAWDEMLSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164891405 721422040 /nfs/dbraw/zinc/42/20/40/721422040.db2.gz VYEGOQRYPVGDGN-PXNSSMCTSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891406 721421842 /nfs/dbraw/zinc/42/18/42/721421842.db2.gz VYEGOQRYPVGDGN-XLIONFOSSA-N 1 1 423.583 0.755 20 0 HCADMO CNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164891407 721422071 /nfs/dbraw/zinc/42/20/71/721422071.db2.gz VYEGOQRYPVGDGN-YLJYHZDGSA-N 1 1 423.583 0.755 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894122 721388441 /nfs/dbraw/zinc/38/84/41/721388441.db2.gz XTIQJSVHVJAKDM-APWZRJJASA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894123 721388959 /nfs/dbraw/zinc/38/89/59/721388959.db2.gz XTIQJSVHVJAKDM-LPHOPBHVSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894124 721388782 /nfs/dbraw/zinc/38/87/82/721388782.db2.gz XTIQJSVHVJAKDM-QFBILLFUSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164894125 721388532 /nfs/dbraw/zinc/38/85/32/721388532.db2.gz XTIQJSVHVJAKDM-VQIMIIECSA-N 1 1 409.556 0.494 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)n2)CC1 ZINC001164895673 721484291 /nfs/dbraw/zinc/48/42/91/721484291.db2.gz MPPMSKNIVUHYLP-DYESRHJHSA-N 1 1 400.527 0.598 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)n2)CC1 ZINC001164895676 721483981 /nfs/dbraw/zinc/48/39/81/721483981.db2.gz MPPMSKNIVUHYLP-LAUBAEHRSA-N 1 1 400.527 0.598 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)n2)CC1 ZINC001164895679 721484301 /nfs/dbraw/zinc/48/43/01/721484301.db2.gz MPPMSKNIVUHYLP-UTKZUKDTSA-N 1 1 400.527 0.598 20 0 HCADMO C[NH+]1CCN(c2nccc(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)n2)CC1 ZINC001164895681 721484012 /nfs/dbraw/zinc/48/40/12/721484012.db2.gz MPPMSKNIVUHYLP-UWJYYQICSA-N 1 1 400.527 0.598 20 0 HCADMO CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164899981 721442240 /nfs/dbraw/zinc/44/22/40/721442240.db2.gz ZXPHAJFRUPHQRP-DYESRHJHSA-N 1 1 402.543 0.992 20 0 HCADMO CCNC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164899991 721442115 /nfs/dbraw/zinc/44/21/15/721442115.db2.gz ZXPHAJFRUPHQRP-LAUBAEHRSA-N 1 1 402.543 0.992 20 0 HCADMO CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164899992 721442278 /nfs/dbraw/zinc/44/22/78/721442278.db2.gz ZXPHAJFRUPHQRP-UTKZUKDTSA-N 1 1 402.543 0.992 20 0 HCADMO CCNC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nn1 ZINC001164899993 721441995 /nfs/dbraw/zinc/44/19/95/721441995.db2.gz ZXPHAJFRUPHQRP-UWJYYQICSA-N 1 1 402.543 0.992 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164902252 721580754 /nfs/dbraw/zinc/58/07/54/721580754.db2.gz DVNWGSNFGWJSEG-NRFANRHFSA-N 1 1 410.526 0.894 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164902253 721580899 /nfs/dbraw/zinc/58/08/99/721580899.db2.gz 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O=S(=O)(c1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)N1CCOCC1 ZINC001164967836 722074051 /nfs/dbraw/zinc/07/40/51/722074051.db2.gz YXPVBYVMNYVXML-CALCHBBNSA-N 1 1 408.524 0.402 20 0 HCADMO O=C(c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1)N1CCS(=O)(=O)CC1 ZINC001164967964 722076436 /nfs/dbraw/zinc/07/64/36/722076436.db2.gz NLOUFBCJSCNPNC-HDICACEKSA-N 1 1 420.535 0.252 20 0 HCADMO COc1nc(N2CCn3ccnc3C2)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164968161 722076783 /nfs/dbraw/zinc/07/67/83/722076783.db2.gz UKEWVHNSUCOCLH-IYBDPMFKSA-N 1 1 412.498 0.396 20 0 HCADMO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]21 ZINC001164969009 722081212 /nfs/dbraw/zinc/08/12/12/722081212.db2.gz HERJZLLNWKEDGF-AABGKKOBSA-N 1 1 424.553 0.941 20 0 HCADMO CC(=O)N1[C@@H]2CCN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969010 722081197 /nfs/dbraw/zinc/08/11/97/722081197.db2.gz HERJZLLNWKEDGF-HSALFYBXSA-N 1 1 424.553 0.941 20 0 HCADMO 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CC(=O)N1CC(=O)NC[C@]12CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164969459 722078978 /nfs/dbraw/zinc/07/89/78/722078978.db2.gz KPTHYRVIUWCQDI-QHCPKHFHSA-N 1 1 420.517 0.962 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972419 722126116 /nfs/dbraw/zinc/12/61/16/722126116.db2.gz FECSFLCGYGDURM-AEFFLSMTSA-N 1 1 409.494 0.987 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972420 722126594 /nfs/dbraw/zinc/12/65/94/722126594.db2.gz FECSFLCGYGDURM-FUHWJXTLSA-N 1 1 409.494 0.987 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164972421 722126095 /nfs/dbraw/zinc/12/60/95/722126095.db2.gz FECSFLCGYGDURM-SJLPKXTDSA-N 1 1 409.494 0.987 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164972422 722126275 /nfs/dbraw/zinc/12/62/75/722126275.db2.gz FECSFLCGYGDURM-WMZOPIPTSA-N 1 1 409.494 0.987 20 0 HCADMO 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NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164980335 722150118 /nfs/dbraw/zinc/15/01/18/722150118.db2.gz MZAYJGGJAKGWMH-HOTGVXAUSA-N 1 1 404.496 0.246 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980336 722150273 /nfs/dbraw/zinc/15/02/73/722150273.db2.gz MZAYJGGJAKGWMH-HZPDHXFCSA-N 1 1 404.496 0.246 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164980338 722150107 /nfs/dbraw/zinc/15/01/07/722150107.db2.gz MZAYJGGJAKGWMH-JKSUJKDBSA-N 1 1 404.496 0.246 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980483 722111373 /nfs/dbraw/zinc/11/13/73/722111373.db2.gz RIMHRPOWQVBLON-AEFFLSMTSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980486 722111788 /nfs/dbraw/zinc/11/17/88/722111788.db2.gz RIMHRPOWQVBLON-FUHWJXTLSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164980489 722111386 /nfs/dbraw/zinc/11/13/86/722111386.db2.gz RIMHRPOWQVBLON-SJLPKXTDSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980490 722111420 /nfs/dbraw/zinc/11/14/20/722111420.db2.gz RIMHRPOWQVBLON-WMZOPIPTSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982364 722103948 /nfs/dbraw/zinc/10/39/48/722103948.db2.gz OAVMJHPLZHCZJA-DLBZAZTESA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982690 722103817 /nfs/dbraw/zinc/10/38/17/722103817.db2.gz OAVMJHPLZHCZJA-IAGOWNOFSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982694 722103739 /nfs/dbraw/zinc/10/37/39/722103739.db2.gz OAVMJHPLZHCZJA-IRXDYDNUSA-N 1 1 403.508 0.851 20 0 HCADMO NS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982697 722103868 /nfs/dbraw/zinc/10/38/68/722103868.db2.gz OAVMJHPLZHCZJA-SJORKVTESA-N 1 1 403.508 0.851 20 0 HCADMO CC(C)C(=O)NCc1nnc2n1CCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164988820 722190369 /nfs/dbraw/zinc/19/03/69/722190369.db2.gz JAQAQIJMQPZUHT-UHFFFAOYSA-N 1 1 413.530 0.502 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc(Cl)c2C(N)=O)CC3)CC1 ZINC001164996361 722234881 /nfs/dbraw/zinc/23/48/81/722234881.db2.gz CWJGNYGNDPXNEM-UHFFFAOYSA-N 1 1 402.890 0.376 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccnc(N4CCOCC4)n2)CC3)CC1 ZINC001164996406 722235661 /nfs/dbraw/zinc/23/56/61/722235661.db2.gz GLCKETIAHADNIA-UHFFFAOYSA-N 1 1 410.526 0.460 20 0 HCADMO CCOC(=O)Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001164996407 722234363 /nfs/dbraw/zinc/23/43/63/722234363.db2.gz GNKBIKPPYCYDQV-UHFFFAOYSA-N 1 1 411.510 0.729 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2S(C)(=O)=O)CC3)CC1 ZINC001164996447 722231675 /nfs/dbraw/zinc/23/16/75/722231675.db2.gz HQMAFNBEMBSOAM-UHFFFAOYSA-N 1 1 402.524 0.632 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(N4CCOCC4)ncn2)CC3)CC1 ZINC001164996499 722229916 /nfs/dbraw/zinc/22/99/16/722229916.db2.gz ILFXBEGTXBMFIB-UHFFFAOYSA-N 1 1 410.526 0.460 20 0 HCADMO CNS(=O)(=O)c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996739 722235623 /nfs/dbraw/zinc/23/56/23/722235623.db2.gz ISAPASBZMKOXIE-UHFFFAOYSA-N 1 1 417.539 0.137 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(C(N)=O)n2)CC3)CC1 ZINC001164997044 722232344 /nfs/dbraw/zinc/23/23/44/722232344.db2.gz MMNYHRNNQOONJC-UHFFFAOYSA-N 1 1 402.890 0.376 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)ncc2C(N)=O)CC3)CC1 ZINC001164997069 722230405 /nfs/dbraw/zinc/23/04/05/722230405.db2.gz NWKWGAUUBLPKGO-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(N)=O)cc(Cl)n2)CC3)CC1 ZINC001164997072 722229743 /nfs/dbraw/zinc/22/97/43/722229743.db2.gz OBECCOBMEKBZAT-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(Cl)c(C(N)=O)n2)CC3)CC1 ZINC001164997086 722230087 /nfs/dbraw/zinc/23/00/87/722230087.db2.gz ONNQJKRDJXKKIB-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(N)=O)c(Cl)cn2)CC3)CC1 ZINC001164997101 722230020 /nfs/dbraw/zinc/23/00/20/722230020.db2.gz POTPZTBWKBMMTO-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO CON(C)C(=O)c1cccnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997123 722236249 /nfs/dbraw/zinc/23/62/49/722236249.db2.gz KUXLBIJDCFNJRA-UHFFFAOYSA-N 1 1 411.510 0.862 20 0 HCADMO CN1CC(=O)Nc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc21 ZINC001164997153 722234850 /nfs/dbraw/zinc/23/48/50/722234850.db2.gz MMUVBQBJEUNONH-UHFFFAOYSA-N 1 1 409.498 0.012 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(Cl)nc2C(N)=O)CC3)CC1 ZINC001164997166 722234769 /nfs/dbraw/zinc/23/47/69/722234769.db2.gz MZAFQHGISSRCJV-UHFFFAOYSA-N 1 1 402.890 0.376 20 0 HCADMO CN(C)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2nc[nH]c21 ZINC001164997578 722235079 /nfs/dbraw/zinc/23/50/79/722235079.db2.gz QWQHAHFRWMYVCG-UHFFFAOYSA-N 1 1 408.514 0.566 20 0 HCADMO CCOC(=O)Cc1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nn1 ZINC001164997608 722236032 /nfs/dbraw/zinc/23/60/32/722236032.db2.gz RWAJUWAHLRVBMM-UHFFFAOYSA-N 1 1 411.510 0.729 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cnc2C(N)=O)CC3)CC1 ZINC001164997686 722232193 /nfs/dbraw/zinc/23/21/93/722232193.db2.gz SMGSVBAGFAWEKK-UHFFFAOYSA-N 1 1 402.890 0.376 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2C(N)=O)CC3)CC1 ZINC001164997760 722233861 /nfs/dbraw/zinc/23/38/61/722233861.db2.gz VSPGBNLYQHEPOO-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO C[C@H]1C(=O)Nc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2N1C ZINC001164997837 722234118 /nfs/dbraw/zinc/23/41/18/722234118.db2.gz XIDRWQKHNFRVRC-AWEZNQCLSA-N 1 1 423.525 0.400 20 0 HCADMO C[C@@H]1C(=O)Nc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2N1C ZINC001164997839 722233858 /nfs/dbraw/zinc/23/38/58/722233858.db2.gz XIDRWQKHNFRVRC-CQSZACIVSA-N 1 1 423.525 0.400 20 0 HCADMO COCCO[C@H]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]1Cc1cnn(C)c1 ZINC001164998838 722225123 /nfs/dbraw/zinc/22/51/23/722225123.db2.gz FQODQNQWPWAANN-MOPGFXCFSA-N 1 1 415.542 0.815 20 0 HCADMO COCCO[C@H]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]1Cc1cnn(C)c1 ZINC001164998841 722225233 /nfs/dbraw/zinc/22/52/33/722225233.db2.gz FQODQNQWPWAANN-OALUTQOASA-N 1 1 415.542 0.815 20 0 HCADMO COCCO[C@@H]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]1Cc1cnn(C)c1 ZINC001164998843 722224964 /nfs/dbraw/zinc/22/49/64/722224964.db2.gz FQODQNQWPWAANN-RBUKOAKNSA-N 1 1 415.542 0.815 20 0 HCADMO COCCO[C@@H]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]1Cc1cnn(C)c1 ZINC001164998845 722225134 /nfs/dbraw/zinc/22/51/34/722225134.db2.gz FQODQNQWPWAANN-RTBURBONSA-N 1 1 415.542 0.815 20 0 HCADMO CN1CCN(c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)CC1 ZINC001164999534 722250867 /nfs/dbraw/zinc/25/08/67/722250867.db2.gz AKQHCDRJZGYQSA-UHFFFAOYSA-N 1 1 414.558 0.913 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccnc(-n4ccccc4=O)n2)CC3)CC1 ZINC001165001049 722238269 /nfs/dbraw/zinc/23/82/69/722238269.db2.gz AAAGLCZHFQPASA-UHFFFAOYSA-N 1 1 418.505 0.775 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2C(C)(C)C(=O)N4)CC3)CC1 ZINC001165001076 722236543 /nfs/dbraw/zinc/23/65/43/722236543.db2.gz BFEZNPNEXQKWET-UHFFFAOYSA-N 1 1 408.510 0.853 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2c(Cl)nccc2C(N)=O)CC3)CC1 ZINC001165001078 722239738 /nfs/dbraw/zinc/23/97/38/722239738.db2.gz BGDHKLXKJOOUEG-UHFFFAOYSA-N 1 1 401.902 0.981 20 0 HCADMO Cc1nc(-n2cncn2)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165001162 722239065 /nfs/dbraw/zinc/23/90/65/722239065.db2.gz CZIXSPQBWSRCMY-UHFFFAOYSA-N 1 1 406.498 0.513 20 0 HCADMO Cc1cc2c(c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n1)C(=O)NC2=O ZINC001165001200 722237255 /nfs/dbraw/zinc/23/72/55/722237255.db2.gz DEHNBLDFJKSXJJ-UHFFFAOYSA-N 1 1 407.478 0.421 20 0 HCADMO CNS(=O)(=O)c1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1 ZINC001165001542 722237023 /nfs/dbraw/zinc/23/70/23/722237023.db2.gz INRXVMOTGKIYNK-UHFFFAOYSA-N 1 1 417.539 0.137 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(Cn4cncn4)cn2)CC3)CC1 ZINC001165001611 722237700 /nfs/dbraw/zinc/23/77/00/722237700.db2.gz KHXDIKNZTZRTMN-UHFFFAOYSA-N 1 1 405.510 0.868 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2NC(=O)CS4)CC3)CC1 ZINC001165002280 722240102 /nfs/dbraw/zinc/24/01/02/722240102.db2.gz SOFUWBIVCFLDOY-UHFFFAOYSA-N 1 1 412.523 0.668 20 0 HCADMO CON(C)C(=O)c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165002312 722238626 /nfs/dbraw/zinc/23/86/26/722238626.db2.gz UERQIIYWSFWKKY-UHFFFAOYSA-N 1 1 411.510 0.862 20 0 HCADMO CNC(=O)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165002319 722240213 /nfs/dbraw/zinc/24/02/13/722240213.db2.gz UGLQHKHPZZBSBC-UHFFFAOYSA-N 1 1 416.917 0.637 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(S(C)(=O)=O)cn2)CC3)CC1 ZINC001165002592 722236626 /nfs/dbraw/zinc/23/66/26/722236626.db2.gz VUWYAERZXVQLQU-UHFFFAOYSA-N 1 1 402.524 0.632 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(=O)NC4CC4)nn2)CC3)CC1 ZINC001165002599 722238573 /nfs/dbraw/zinc/23/85/73/722238573.db2.gz VWHOZLVCEIAVOQ-UHFFFAOYSA-N 1 1 408.510 0.516 20 0 HCADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C(N)=O)nc(C4CC4)n2)CC3)CC1 ZINC001165003058 722240081 /nfs/dbraw/zinc/24/00/81/722240081.db2.gz HKZYUICSGAYEOF-UHFFFAOYSA-N 1 1 408.510 0.600 20 0 HCADMO COC(=O)c1ncnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1OC ZINC001165005506 722240010 /nfs/dbraw/zinc/24/00/10/722240010.db2.gz UDLRRVRRWCEMGM-UHFFFAOYSA-N 1 1 413.482 0.419 20 0 HCADMO CN(C)C(=O)CN1CCC2(CCCN2c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165011079 721740962 /nfs/dbraw/zinc/74/09/62/721740962.db2.gz UFIHMGCRPZODPV-UHFFFAOYSA-N 1 1 414.554 0.650 20 0 HCADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001165026106 721787644 /nfs/dbraw/zinc/78/76/44/721787644.db2.gz YERLJLYUYPAAJO-NRFANRHFSA-N 1 1 418.542 0.319 20 0 HCADMO CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001165026109 721787900 /nfs/dbraw/zinc/78/79/00/721787900.db2.gz YERLJLYUYPAAJO-OAQYLSRUSA-N 1 1 418.542 0.319 20 0 HCADMO COc1cc(OC)nc(CN2CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)n1 ZINC001165028395 721850995 /nfs/dbraw/zinc/85/09/95/721850995.db2.gz AVIXXZORAZCNGG-UHFFFAOYSA-N 1 1 414.514 0.358 20 0 HCADMO COc1cc(OC)nc(CN2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)n1 ZINC001165030647 721848911 /nfs/dbraw/zinc/84/89/11/721848911.db2.gz SZCFZRBZUGWTRH-UHFFFAOYSA-N 1 1 401.471 0.443 20 0 HCADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165039958 721914321 /nfs/dbraw/zinc/91/43/21/721914321.db2.gz XSCLFQXRNYPCCT-INIZCTEOSA-N 1 1 405.499 0.791 20 0 HCADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165039960 721914313 /nfs/dbraw/zinc/91/43/13/721914313.db2.gz XSCLFQXRNYPCCT-MRXNPFEDSA-N 1 1 405.499 0.791 20 0 HCADMO COc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001165043633 721923333 /nfs/dbraw/zinc/92/33/33/721923333.db2.gz OGTXJOKWSWOFDB-HNNXBMFYSA-N 1 1 400.487 0.398 20 0 HCADMO COc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001165043634 721923424 /nfs/dbraw/zinc/92/34/24/721923424.db2.gz OGTXJOKWSWOFDB-OAHLLOKOSA-N 1 1 400.487 0.398 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045570 721960625 /nfs/dbraw/zinc/96/06/25/721960625.db2.gz ZCRBDDWLLPYKQW-UHFFFAOYSA-N 1 1 420.491 0.717 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)CC1 ZINC001165050558 721981671 /nfs/dbraw/zinc/98/16/71/721981671.db2.gz VEQYQTZIUBGULO-IBGZPJMESA-N 1 1 424.505 0.717 20 0 HCADMO C[NH+]1CCN(c2nccc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2)CC1 ZINC001165050559 721981833 /nfs/dbraw/zinc/98/18/33/721981833.db2.gz VEQYQTZIUBGULO-LJQANCHMSA-N 1 1 424.505 0.717 20 0 HCADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054898 722018145 /nfs/dbraw/zinc/01/81/45/722018145.db2.gz IPUDVOIMDLJCBP-UHFFFAOYSA-N 1 1 405.480 0.275 20 0 HCADMO O=S(=O)(c1cccnc1N1CC[NH+](CCc2ccccn2)CC1)N1CCOCC1 ZINC001165055118 722015578 /nfs/dbraw/zinc/01/55/78/722015578.db2.gz DQNORCKGKSKLHQ-UHFFFAOYSA-N 1 1 417.535 0.862 20 0 HCADMO COc1nc(N2CC[NH+](CCc3ccccn3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001165055309 722019409 /nfs/dbraw/zinc/01/94/09/722019409.db2.gz PJWWIFKOKRYAFF-UHFFFAOYSA-N 1 1 421.509 0.857 20 0 HCADMO O=S(=O)(NCc1c[nH]nn1)c1cc(NCC2(N3CCCC3)COC2)ccc1F ZINC001168449864 1077330537 /nfs/dbraw/zinc/33/05/37/1077330537.db2.gz ABJYQGIGEZRMBF-UHFFFAOYSA-N 1 1 410.475 0.699 20 0 HCADMO NS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001168495115 1077909881 /nfs/dbraw/zinc/90/98/81/1077909881.db2.gz UGPRHDTXUNWSKO-UHFFFAOYSA-N 1 1 412.475 0.877 20 0 HCADMO C[N@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@H](CO)C1 ZINC001168536806 1079390296 /nfs/dbraw/zinc/39/02/96/1079390296.db2.gz CEXZNSJIBKQRCL-AWEZNQCLSA-N 1 1 417.478 0.500 20 0 HCADMO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@H](CO)C1 ZINC001168536806 1079390288 /nfs/dbraw/zinc/39/02/88/1079390288.db2.gz CEXZNSJIBKQRCL-AWEZNQCLSA-N 1 1 417.478 0.500 20 0 HCADMO C[N@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@@H](CO)C1 ZINC001168536807 1079390558 /nfs/dbraw/zinc/39/05/58/1079390558.db2.gz CEXZNSJIBKQRCL-CQSZACIVSA-N 1 1 417.478 0.500 20 0 HCADMO C[N@@H+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[C@@H](CO)C1 ZINC001168536807 1079390554 /nfs/dbraw/zinc/39/05/54/1079390554.db2.gz CEXZNSJIBKQRCL-CQSZACIVSA-N 1 1 417.478 0.500 20 0 HCADMO C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)[C@H](CO)C1 ZINC001168537820 1079397022 /nfs/dbraw/zinc/39/70/22/1079397022.db2.gz LMWJARSZYIPDOF-AWEZNQCLSA-N 1 1 401.554 0.600 20 0 HCADMO C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)[C@H](CO)C1 ZINC001168537820 1079397016 /nfs/dbraw/zinc/39/70/16/1079397016.db2.gz LMWJARSZYIPDOF-AWEZNQCLSA-N 1 1 401.554 0.600 20 0 HCADMO C[N@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)[C@@H](CO)C1 ZINC001168537823 1079397435 /nfs/dbraw/zinc/39/74/35/1079397435.db2.gz LMWJARSZYIPDOF-CQSZACIVSA-N 1 1 401.554 0.600 20 0 HCADMO C[N@@H+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)[C@@H](CO)C1 ZINC001168537823 1079397429 /nfs/dbraw/zinc/39/74/29/1079397429.db2.gz LMWJARSZYIPDOF-CQSZACIVSA-N 1 1 401.554 0.600 20 0 HCADMO C[N@H+]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)[C@@H](CO)C1 ZINC001168538433 1079405970 /nfs/dbraw/zinc/40/59/70/1079405970.db2.gz PQXSSODCMRNZIQ-CYBMUJFWSA-N 1 1 412.284 0.700 20 0 HCADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)[C@@H](CO)C1 ZINC001168538433 1079405952 /nfs/dbraw/zinc/40/59/52/1079405952.db2.gz PQXSSODCMRNZIQ-CYBMUJFWSA-N 1 1 412.284 0.700 20 0 HCADMO C[N@H+]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)[C@H](CO)C1 ZINC001168538436 1079405615 /nfs/dbraw/zinc/40/56/15/1079405615.db2.gz PQXSSODCMRNZIQ-ZDUSSCGKSA-N 1 1 412.284 0.700 20 0 HCADMO C[N@@H+]1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)[C@H](CO)C1 ZINC001168538436 1079405607 /nfs/dbraw/zinc/40/56/07/1079405607.db2.gz PQXSSODCMRNZIQ-ZDUSSCGKSA-N 1 1 412.284 0.700 20 0 HCADMO CC(=O)NC1(c2noc(CCC(=O)N3CC[N@H+](C)C[C@H]3CO)n2)CCCCCC1 ZINC001168538501 1079408703 /nfs/dbraw/zinc/40/87/03/1079408703.db2.gz RFPSGDRZDGNXMU-INIZCTEOSA-N 1 1 407.515 0.823 20 0 HCADMO CC(=O)NC1(c2noc(CCC(=O)N3CC[N@@H+](C)C[C@H]3CO)n2)CCCCCC1 ZINC001168538501 1079408688 /nfs/dbraw/zinc/40/86/88/1079408688.db2.gz RFPSGDRZDGNXMU-INIZCTEOSA-N 1 1 407.515 0.823 20 0 HCADMO CC(=O)NC1(c2noc(CCC(=O)N3CC[N@H+](C)C[C@@H]3CO)n2)CCCCCC1 ZINC001168538502 1079408538 /nfs/dbraw/zinc/40/85/38/1079408538.db2.gz RFPSGDRZDGNXMU-MRXNPFEDSA-N 1 1 407.515 0.823 20 0 HCADMO CC(=O)NC1(c2noc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3CO)n2)CCCCCC1 ZINC001168538502 1079408526 /nfs/dbraw/zinc/40/85/26/1079408526.db2.gz RFPSGDRZDGNXMU-MRXNPFEDSA-N 1 1 407.515 0.823 20 0 HCADMO C[N@H+]1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H](CO)C1 ZINC001168538754 1079413274 /nfs/dbraw/zinc/41/32/74/1079413274.db2.gz UWBINQDOYWLPIH-AWEZNQCLSA-N 1 1 423.457 0.899 20 0 HCADMO C[N@@H+]1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H](CO)C1 ZINC001168538754 1079413263 /nfs/dbraw/zinc/41/32/63/1079413263.db2.gz UWBINQDOYWLPIH-AWEZNQCLSA-N 1 1 423.457 0.899 20 0 HCADMO C[N@H+]1CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](CO)C1 ZINC001168538762 1079413347 /nfs/dbraw/zinc/41/33/47/1079413347.db2.gz 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CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC001168539320 1079418535 /nfs/dbraw/zinc/41/85/35/1079418535.db2.gz ZRALHZIHAOWNFU-CYBMUJFWSA-N 1 1 420.329 0.205 20 0 HCADMO CN(CC(=O)N1CC[N@H+](C)C[C@@H]1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC001168539320 1079418528 /nfs/dbraw/zinc/41/85/28/1079418528.db2.gz ZRALHZIHAOWNFU-CYBMUJFWSA-N 1 1 420.329 0.205 20 0 HCADMO CN(CC(=O)N1CC[N@@H+](C)C[C@H]1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC001168539321 1079418397 /nfs/dbraw/zinc/41/83/97/1079418397.db2.gz ZRALHZIHAOWNFU-ZDUSSCGKSA-N 1 1 420.329 0.205 20 0 HCADMO CN(CC(=O)N1CC[N@H+](C)C[C@H]1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC001168539321 1079418388 /nfs/dbraw/zinc/41/83/88/1079418388.db2.gz ZRALHZIHAOWNFU-ZDUSSCGKSA-N 1 1 420.329 0.205 20 0 HCADMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)cn1 ZINC001168555197 1079590745 /nfs/dbraw/zinc/59/07/45/1079590745.db2.gz OFPJTXNSPMYRLA-HZMVEIRTSA-N 1 1 407.515 0.552 20 0 HCADMO 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Cc1cnn(C)c1S(=O)(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC001212449842 1080590825 /nfs/dbraw/zinc/59/08/25/1080590825.db2.gz CIAQGFDHJPRTSO-UHFFFAOYSA-N 1 1 419.507 0.577 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1C ZINC001212459232 1080648908 /nfs/dbraw/zinc/64/89/08/1080648908.db2.gz BQPMAYLWESCOGS-INIZCTEOSA-N 1 1 407.492 0.857 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1C ZINC001212459233 1080649253 /nfs/dbraw/zinc/64/92/53/1080649253.db2.gz BQPMAYLWESCOGS-MRXNPFEDSA-N 1 1 407.492 0.857 20 0 HCADMO COC(=O)c1ccc(OC)c(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC001212460193 1080651392 /nfs/dbraw/zinc/65/13/92/1080651392.db2.gz NQOIXRRBUZTYQG-UHFFFAOYSA-N 1 1 401.485 0.122 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)ccc1Cl ZINC001212460489 1080661388 /nfs/dbraw/zinc/66/13/88/1080661388.db2.gz OONGQRUVOVJTMY-UHFFFAOYSA-N 1 1 405.904 0.767 20 0 HCADMO COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(F)cc1C ZINC001212461168 1080663552 /nfs/dbraw/zinc/66/35/52/1080663552.db2.gz ULIYQVQSNODSOT-UHFFFAOYSA-N 1 1 403.476 0.561 20 0 HCADMO CC(=O)N1CCc2sc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cc2C1 ZINC001212461235 1080655917 /nfs/dbraw/zinc/65/59/17/1080655917.db2.gz UVQNJSLWVIHJLN-UHFFFAOYSA-N 1 1 416.569 0.293 20 0 HCADMO CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001212463610 1080688988 /nfs/dbraw/zinc/68/89/88/1080688988.db2.gz WVSQUUXCPIDWJR-UHFFFAOYSA-N 1 1 415.512 0.512 20 0 HCADMO COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001212463644 1080684274 /nfs/dbraw/zinc/68/42/74/1080684274.db2.gz YBWULIFJCVCDEL-UHFFFAOYSA-N 1 1 405.904 0.767 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC001212479991 1080793165 /nfs/dbraw/zinc/79/31/65/1080793165.db2.gz BZSWZGNDOVQLLU-BLVKFPJESA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC001212479991 1080793157 /nfs/dbraw/zinc/79/31/57/1080793157.db2.gz BZSWZGNDOVQLLU-BLVKFPJESA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC001212479992 1080793124 /nfs/dbraw/zinc/79/31/24/1080793124.db2.gz BZSWZGNDOVQLLU-BUXKBTBVSA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC001212479992 1080793115 /nfs/dbraw/zinc/79/31/15/1080793115.db2.gz BZSWZGNDOVQLLU-BUXKBTBVSA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC001212479993 1080793312 /nfs/dbraw/zinc/79/33/12/1080793312.db2.gz BZSWZGNDOVQLLU-CWTRNNRKSA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC001212479993 1080793304 /nfs/dbraw/zinc/79/33/04/1080793304.db2.gz BZSWZGNDOVQLLU-CWTRNNRKSA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC001212479994 1080793278 /nfs/dbraw/zinc/79/32/78/1080793278.db2.gz BZSWZGNDOVQLLU-HXPMCKFVSA-N 1 1 424.523 0.901 20 0 HCADMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC001212479994 1080793270 /nfs/dbraw/zinc/79/32/70/1080793270.db2.gz BZSWZGNDOVQLLU-HXPMCKFVSA-N 1 1 424.523 0.901 20 0 HCADMO O=C(NC[C@@H](O)C[NH2+]Cc1nnc(-c2cccc(F)c2)o1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272479704 1077275029 /nfs/dbraw/zinc/27/50/29/1077275029.db2.gz PVALQDXTERDQDI-CNRFMZSYSA-N 1 1 402.426 0.866 20 0 HCADMO O=C(NC[C@H](O)C[NH2+]Cc1nnc(-c2cccc(F)c2)o1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001272479705 1077275133 /nfs/dbraw/zinc/27/51/33/1077275133.db2.gz PVALQDXTERDQDI-NTCWUJLTSA-N 1 1 402.426 0.866 20 0 HCADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CN2CCOCC2=O)CC1 ZINC001272752850 1079509992 /nfs/dbraw/zinc/50/99/92/1079509992.db2.gz SMQJZKRFTPEOIM-UHFFFAOYSA-N 1 1 412.288 0.393 20 0 HCADMO C[NH+]1CCN(c2ncc(Br)cc2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001272753765 1079537092 /nfs/dbraw/zinc/53/70/92/1079537092.db2.gz ZOSXKCBKHRMOJQ-QWHCGFSZSA-N 1 1 412.288 0.567 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001299218293 1077649958 /nfs/dbraw/zinc/64/99/58/1077649958.db2.gz RESVGFJBZQDAQW-INIZCTEOSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001299218293 1077649952 /nfs/dbraw/zinc/64/99/52/1077649952.db2.gz RESVGFJBZQDAQW-INIZCTEOSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001299218293 1077649945 /nfs/dbraw/zinc/64/99/45/1077649945.db2.gz RESVGFJBZQDAQW-INIZCTEOSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001299218294 1077649988 /nfs/dbraw/zinc/64/99/88/1077649988.db2.gz RESVGFJBZQDAQW-MRXNPFEDSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001299218294 1077649985 /nfs/dbraw/zinc/64/99/85/1077649985.db2.gz RESVGFJBZQDAQW-MRXNPFEDSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001299218294 1077649979 /nfs/dbraw/zinc/64/99/79/1077649979.db2.gz RESVGFJBZQDAQW-MRXNPFEDSA-N 1 1 407.563 0.380 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001299218338 1077689393 /nfs/dbraw/zinc/68/93/93/1077689393.db2.gz SBTNMMKDWAUSLI-GOSISDBHSA-N 1 1 421.590 0.628 20 0 HCADMO CNC(=O)CCN(C)c1nnc([C@H]2CCOC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001299218339 1077689877 /nfs/dbraw/zinc/68/98/77/1077689877.db2.gz SBTNMMKDWAUSLI-SFHVURJKSA-N 1 1 421.590 0.628 20 0 HCADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299227264 1079013966 /nfs/dbraw/zinc/01/39/66/1079013966.db2.gz PAVACQWBQPGVBB-IYBDPMFKSA-N 1 1 421.546 0.196 20 0 HCADMO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001299227264 1079013957 /nfs/dbraw/zinc/01/39/57/1079013957.db2.gz PAVACQWBQPGVBB-IYBDPMFKSA-N 1 1 421.546 0.196 20 0 HCADMO CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001299227781 1079129208 /nfs/dbraw/zinc/12/92/08/1079129208.db2.gz WODACNAIIVAAGJ-UHFFFAOYSA-N 1 1 419.555 0.936 20 0 HCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001299233181 1079238528 /nfs/dbraw/zinc/23/85/28/1079238528.db2.gz SAAQCPKJJHRVOP-CABCVRRESA-N 1 1 412.498 0.734 20 0 HCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001299233188 1079238912 /nfs/dbraw/zinc/23/89/12/1079238912.db2.gz SAAQCPKJJHRVOP-GJZGRUSLSA-N 1 1 412.498 0.734 20 0 HCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001299233195 1079238977 /nfs/dbraw/zinc/23/89/77/1079238977.db2.gz SAAQCPKJJHRVOP-HUUCEWRRSA-N 1 1 412.498 0.734 20 0 HCADMO CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001299233198 1079239029 /nfs/dbraw/zinc/23/90/29/1079239029.db2.gz SAAQCPKJJHRVOP-LSDHHAIUSA-N 1 1 412.498 0.734 20 0 HCADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001299240572 1079242317 /nfs/dbraw/zinc/24/23/17/1079242317.db2.gz CRTHQADALJGTQI-HNNXBMFYSA-N 1 1 400.483 0.611 20 0 HCADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001299240572 1079242304 /nfs/dbraw/zinc/24/23/04/1079242304.db2.gz CRTHQADALJGTQI-HNNXBMFYSA-N 1 1 400.483 0.611 20 0 HCADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001299240574 1079242522 /nfs/dbraw/zinc/24/25/22/1079242522.db2.gz CRTHQADALJGTQI-OAHLLOKOSA-N 1 1 400.483 0.611 20 0 HCADMO CNC(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001299240574 1079242515 /nfs/dbraw/zinc/24/25/15/1079242515.db2.gz CRTHQADALJGTQI-OAHLLOKOSA-N 1 1 400.483 0.611 20 0 HCADMO CNC(=O)CCn1c(C2CC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001299242275 1079246166 /nfs/dbraw/zinc/24/61/66/1079246166.db2.gz AEPUDYILRXOPKQ-UHFFFAOYSA-N 1 1 403.531 0.426 20 0 HCADMO CNC(=O)CCn1c(C2CC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001299242275 1079246149 /nfs/dbraw/zinc/24/61/49/1079246149.db2.gz AEPUDYILRXOPKQ-UHFFFAOYSA-N 1 1 403.531 0.426 20 0 HCADMO CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001299244991 1079249223 /nfs/dbraw/zinc/24/92/23/1079249223.db2.gz HVSBHSJBWPRUBS-AWEZNQCLSA-N 1 1 405.890 0.650 20 0 HCADMO CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001299244991 1079249215 /nfs/dbraw/zinc/24/92/15/1079249215.db2.gz HVSBHSJBWPRUBS-AWEZNQCLSA-N 1 1 405.890 0.650 20 0 HCADMO CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001299244999 1079249124 /nfs/dbraw/zinc/24/91/24/1079249124.db2.gz HVSBHSJBWPRUBS-CQSZACIVSA-N 1 1 405.890 0.650 20 0 HCADMO CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001299244999 1079249113 /nfs/dbraw/zinc/24/91/13/1079249113.db2.gz HVSBHSJBWPRUBS-CQSZACIVSA-N 1 1 405.890 0.650 20 0 HCADMO CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001299251412 1079256464 /nfs/dbraw/zinc/25/64/64/1079256464.db2.gz KEBKSCRXDPNKNN-INIZCTEOSA-N 1 1 419.574 0.746 20 0 HCADMO CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001299251413 1079256585 /nfs/dbraw/zinc/25/65/85/1079256585.db2.gz KEBKSCRXDPNKNN-MRXNPFEDSA-N 1 1 419.574 0.746 20 0 HCADMO CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001299252207 1079257712 /nfs/dbraw/zinc/25/77/12/1079257712.db2.gz RJLYAWZVJVKEKD-KRWDZBQOSA-N 1 1 416.530 0.364 20 0 HCADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001299252208 1079257870 /nfs/dbraw/zinc/25/78/70/1079257870.db2.gz RJLYAWZVJVKEKD-QGZVFWFLSA-N 1 1 416.530 0.364 20 0 HCADMO CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001299252259 1079257918 /nfs/dbraw/zinc/25/79/18/1079257918.db2.gz SNPJZTURDPCRJI-DLBZAZTESA-N 1 1 406.531 0.609 20 0 HCADMO CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001299252261 1079257951 /nfs/dbraw/zinc/25/79/51/1079257951.db2.gz SNPJZTURDPCRJI-IAGOWNOFSA-N 1 1 406.531 0.609 20 0 HCADMO CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001299252263 1079257690 /nfs/dbraw/zinc/25/76/90/1079257690.db2.gz SNPJZTURDPCRJI-IRXDYDNUSA-N 1 1 406.531 0.609 20 0 HCADMO CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001299252265 1079257831 /nfs/dbraw/zinc/25/78/31/1079257831.db2.gz SNPJZTURDPCRJI-SJORKVTESA-N 1 1 406.531 0.609 20 0 HCADMO CNC(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001299253047 1079258535 /nfs/dbraw/zinc/25/85/35/1079258535.db2.gz WMQURNIFBJIXRK-INIZCTEOSA-N 1 1 408.547 0.713 20 0 HCADMO CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001299253050 1079258353 /nfs/dbraw/zinc/25/83/53/1079258353.db2.gz WMQURNIFBJIXRK-MRXNPFEDSA-N 1 1 408.547 0.713 20 0 HCADMO CNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001299253446 1079258442 /nfs/dbraw/zinc/25/84/42/1079258442.db2.gz IHOJUIIGDMCRRT-UHFFFAOYSA-N 1 1 404.490 0.913 20 0 HCADMO CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001299253649 1079258971 /nfs/dbraw/zinc/25/89/71/1079258971.db2.gz LVNQPUOZCWXHFU-INIZCTEOSA-N 1 1 401.515 0.557 20 0 HCADMO CNC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001299253650 1079259012 /nfs/dbraw/zinc/25/90/12/1079259012.db2.gz LVNQPUOZCWXHFU-MRXNPFEDSA-N 1 1 401.515 0.557 20 0 HCADMO CNC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001299254494 1079259324 /nfs/dbraw/zinc/25/93/24/1079259324.db2.gz UXLKJHFXXRLPSU-UHFFFAOYSA-N 1 1 415.542 0.947 20 0 HCADMO COc1c(F)cc(CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC001299255046 1079260074 /nfs/dbraw/zinc/26/00/74/1079260074.db2.gz OACQVNHPIMSPCT-UHFFFAOYSA-N 1 1 417.503 0.593 20 0 HCADMO CNC(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001299259690 1079266403 /nfs/dbraw/zinc/26/64/03/1079266403.db2.gz JFPJOADETFRDTE-KRWDZBQOSA-N 1 1 414.510 0.557 20 0 HCADMO CNC(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001299259690 1079266396 /nfs/dbraw/zinc/26/63/96/1079266396.db2.gz JFPJOADETFRDTE-KRWDZBQOSA-N 1 1 414.510 0.557 20 0 HCADMO CNC(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001299259691 1079266244 /nfs/dbraw/zinc/26/62/44/1079266244.db2.gz JFPJOADETFRDTE-QGZVFWFLSA-N 1 1 414.510 0.557 20 0 HCADMO CNC(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001299259691 1079266236 /nfs/dbraw/zinc/26/62/36/1079266236.db2.gz JFPJOADETFRDTE-QGZVFWFLSA-N 1 1 414.510 0.557 20 0 HCADMO CNC(=O)CCn1c(CCc2ccccc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001299260594 1079267450 /nfs/dbraw/zinc/26/74/50/1079267450.db2.gz QRRURCMNNFSYGB-UHFFFAOYSA-N 1 1 400.527 0.968 20 0 HCADMO C[C@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[NH+]1CCSCC1 ZINC001299260854 1079267577 /nfs/dbraw/zinc/26/75/77/1079267577.db2.gz XEMSQLOXVIVISQ-GFCCVEGCSA-N 1 1 405.517 0.748 20 0 HCADMO C[C@@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)[NH+]1CCSCC1 ZINC001299260855 1079267379 /nfs/dbraw/zinc/26/73/79/1079267379.db2.gz XEMSQLOXVIVISQ-LBPRGKRZSA-N 1 1 405.517 0.748 20 0 HCADMO CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001299261484 1079268065 /nfs/dbraw/zinc/26/80/65/1079268065.db2.gz YVGRLCUNUIHCKC-AWEZNQCLSA-N 1 1 421.571 0.927 20 0 HCADMO CNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001299261485 1079267914 /nfs/dbraw/zinc/26/79/14/1079267914.db2.gz YVGRLCUNUIHCKC-CQSZACIVSA-N 1 1 421.571 0.927 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001299268628 1080086838 /nfs/dbraw/zinc/08/68/38/1080086838.db2.gz ALWMHZXUUVDTCB-INIZCTEOSA-N 1 1 420.562 0.610 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001299268629 1080087051 /nfs/dbraw/zinc/08/70/51/1080087051.db2.gz ALWMHZXUUVDTCB-MRXNPFEDSA-N 1 1 420.562 0.610 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001299269913 1080284402 /nfs/dbraw/zinc/28/44/02/1080284402.db2.gz CGUXAFJTYXLSAX-IBGZPJMESA-N 1 1 413.526 0.949 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001299269913 1080284388 /nfs/dbraw/zinc/28/43/88/1080284388.db2.gz CGUXAFJTYXLSAX-IBGZPJMESA-N 1 1 413.526 0.949 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001299269914 1080284440 /nfs/dbraw/zinc/28/44/40/1080284440.db2.gz CGUXAFJTYXLSAX-LJQANCHMSA-N 1 1 413.526 0.949 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001299269914 1080284431 /nfs/dbraw/zinc/28/44/31/1080284431.db2.gz CGUXAFJTYXLSAX-LJQANCHMSA-N 1 1 413.526 0.949 20 0 HCADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299277408 1081362834 /nfs/dbraw/zinc/36/28/34/1081362834.db2.gz KJKASIBAGXRWLQ-HNNXBMFYSA-N 1 1 406.535 0.421 20 0 HCADMO CNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001299277410 1081362647 /nfs/dbraw/zinc/36/26/47/1081362647.db2.gz KJKASIBAGXRWLQ-OAHLLOKOSA-N 1 1 406.535 0.421 20 0 HCADMO CNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299277955 1081363784 /nfs/dbraw/zinc/36/37/84/1081363784.db2.gz LIPHQNDUZPQHJY-INIZCTEOSA-N 1 1 416.530 0.466 20 0 HCADMO CNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299277960 1081362817 /nfs/dbraw/zinc/36/28/17/1081362817.db2.gz LIPHQNDUZPQHJY-MRXNPFEDSA-N 1 1 416.530 0.466 20 0 HCADMO CNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001299278656 1081365841 /nfs/dbraw/zinc/36/58/41/1081365841.db2.gz PUOLWIKVIJGACI-KRWDZBQOSA-N 1 1 423.562 0.602 20 0 HCADMO CNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+](C)CCOC)CC1 ZINC001299278662 1081366315 /nfs/dbraw/zinc/36/63/15/1081366315.db2.gz PUOLWIKVIJGACI-QGZVFWFLSA-N 1 1 423.562 0.602 20 0 HCADMO CNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)CCCOC)CC1 ZINC001299278695 1081366282 /nfs/dbraw/zinc/36/62/82/1081366282.db2.gz NVKBXMLSPAGGLJ-UHFFFAOYSA-N 1 1 416.530 0.770 20 0 HCADMO CNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+](C)CCOC)CC1 ZINC001299278852 1081366827 /nfs/dbraw/zinc/36/68/27/1081366827.db2.gz PECWZNAACQPESV-UHFFFAOYSA-N 1 1 416.530 0.688 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C3CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001299278976 1081367343 /nfs/dbraw/zinc/36/73/43/1081367343.db2.gz RPVVVLDVWMSFGM-KRWDZBQOSA-N 1 1 405.547 0.974 20 0 HCADMO CNC(=O)N1CCN(c2nnc(C3CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001299278978 1081367234 /nfs/dbraw/zinc/36/72/34/1081367234.db2.gz RPVVVLDVWMSFGM-QGZVFWFLSA-N 1 1 405.547 0.974 20 0 HCADMO CNC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)CCOC)CC1 ZINC001299279048 1081367645 /nfs/dbraw/zinc/36/76/45/1081367645.db2.gz KTAPQKHUQGGMCZ-UHFFFAOYSA-N 1 1 401.515 0.985 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001299280055 1081370600 /nfs/dbraw/zinc/37/06/00/1081370600.db2.gz AQLRJJPKLHKFHB-DOTOQJQBSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001299280055 1081370591 /nfs/dbraw/zinc/37/05/91/1081370591.db2.gz AQLRJJPKLHKFHB-DOTOQJQBSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001299280056 1081370510 /nfs/dbraw/zinc/37/05/10/1081370510.db2.gz AQLRJJPKLHKFHB-NVXWUHKLSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC001299280056 1081370502 /nfs/dbraw/zinc/37/05/02/1081370502.db2.gz AQLRJJPKLHKFHB-NVXWUHKLSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001299280057 1081370639 /nfs/dbraw/zinc/37/06/39/1081370639.db2.gz AQLRJJPKLHKFHB-RDJZCZTQSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001299280057 1081370631 /nfs/dbraw/zinc/37/06/31/1081370631.db2.gz AQLRJJPKLHKFHB-RDJZCZTQSA-N 1 1 411.524 0.283 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001299280058 1081370535 /nfs/dbraw/zinc/37/05/35/1081370535.db2.gz AQLRJJPKLHKFHB-WBVHZDCISA-N 1 1 411.524 0.283 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC001299280058 1081370528 /nfs/dbraw/zinc/37/05/28/1081370528.db2.gz AQLRJJPKLHKFHB-WBVHZDCISA-N 1 1 411.524 0.283 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001299280439 1081372487 /nfs/dbraw/zinc/37/24/87/1081372487.db2.gz DKYFBCCROIOONK-GDBMZVCRSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001299280439 1081372477 /nfs/dbraw/zinc/37/24/77/1081372477.db2.gz DKYFBCCROIOONK-GDBMZVCRSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001299280441 1081372218 /nfs/dbraw/zinc/37/22/18/1081372218.db2.gz DKYFBCCROIOONK-GOEBONIOSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC001299280441 1081372212 /nfs/dbraw/zinc/37/22/12/1081372212.db2.gz DKYFBCCROIOONK-GOEBONIOSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001299280442 1081372287 /nfs/dbraw/zinc/37/22/87/1081372287.db2.gz DKYFBCCROIOONK-HOCLYGCPSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001299280442 1081372277 /nfs/dbraw/zinc/37/22/77/1081372277.db2.gz DKYFBCCROIOONK-HOCLYGCPSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001299280446 1081372159 /nfs/dbraw/zinc/37/21/59/1081372159.db2.gz DKYFBCCROIOONK-ZBFHGGJFSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC001299280446 1081372156 /nfs/dbraw/zinc/37/21/56/1081372156.db2.gz DKYFBCCROIOONK-ZBFHGGJFSA-N 1 1 401.463 0.600 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001299280733 1081373914 /nfs/dbraw/zinc/37/39/14/1081373914.db2.gz HEYYKXGQCQSBKT-GFCCVEGCSA-N 1 1 409.284 0.684 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001299280733 1081373910 /nfs/dbraw/zinc/37/39/10/1081373910.db2.gz HEYYKXGQCQSBKT-GFCCVEGCSA-N 1 1 409.284 0.684 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001299280734 1081373876 /nfs/dbraw/zinc/37/38/76/1081373876.db2.gz HEYYKXGQCQSBKT-LBPRGKRZSA-N 1 1 409.284 0.684 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001299280734 1081373869 /nfs/dbraw/zinc/37/38/69/1081373869.db2.gz HEYYKXGQCQSBKT-LBPRGKRZSA-N 1 1 409.284 0.684 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281019 1081378710 /nfs/dbraw/zinc/37/87/10/1081378710.db2.gz JHICXJPHILSNGT-HKUYNNGSSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281019 1081378702 /nfs/dbraw/zinc/37/87/02/1081378702.db2.gz JHICXJPHILSNGT-HKUYNNGSSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281020 1081378893 /nfs/dbraw/zinc/37/88/93/1081378893.db2.gz JHICXJPHILSNGT-IEBWSBKVSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281020 1081378884 /nfs/dbraw/zinc/37/88/84/1081378884.db2.gz JHICXJPHILSNGT-IEBWSBKVSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281021 1081378729 /nfs/dbraw/zinc/37/87/29/1081378729.db2.gz JHICXJPHILSNGT-MJGOQNOKSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281021 1081378723 /nfs/dbraw/zinc/37/87/23/1081378723.db2.gz JHICXJPHILSNGT-MJGOQNOKSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281023 1081378998 /nfs/dbraw/zinc/37/89/98/1081378998.db2.gz JHICXJPHILSNGT-PKOBYXMFSA-N 1 1 409.552 0.753 20 0 HCADMO C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC001299281023 1081378988 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CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001671009378 1080072204 /nfs/dbraw/zinc/07/22/04/1080072204.db2.gz DUPKCCMVJHOGOY-RDJZCZTQSA-N 1 1 403.593 0.370 20 0 HCADMO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001671009378 1080072195 /nfs/dbraw/zinc/07/21/95/1080072195.db2.gz DUPKCCMVJHOGOY-RDJZCZTQSA-N 1 1 403.593 0.370 20 0 HCADMO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001671009378 1080072183 /nfs/dbraw/zinc/07/21/83/1080072183.db2.gz DUPKCCMVJHOGOY-RDJZCZTQSA-N 1 1 403.593 0.370 20 0 HCADMO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001671009379 1080072531 /nfs/dbraw/zinc/07/25/31/1080072531.db2.gz DUPKCCMVJHOGOY-WBVHZDCISA-N 1 1 403.593 0.370 20 0 HCADMO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001671009379 1080072519 /nfs/dbraw/zinc/07/25/19/1080072519.db2.gz DUPKCCMVJHOGOY-WBVHZDCISA-N 1 1 403.593 0.370 20 0 HCADMO CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001671009379 1080072500 /nfs/dbraw/zinc/07/25/00/1080072500.db2.gz DUPKCCMVJHOGOY-WBVHZDCISA-N 1 1 403.593 0.370 20 0 HCADMO COc1cc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)ccc1OCC[NH+](C)C ZINC001671018497 1080077401 /nfs/dbraw/zinc/07/74/01/1080077401.db2.gz RMVXQFNGBHWIGD-LAUBAEHRSA-N 1 1 422.526 0.983 20 0 HCADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@@H](C)O1 ZINC001687432724 1073822508 /nfs/dbraw/zinc/82/25/08/1073822508.db2.gz YBZUOJFJQYLIIL-KFWWJZLASA-N 1 1 403.487 0.211 20 0 HCADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001687432725 1073823475 /nfs/dbraw/zinc/82/34/75/1073823475.db2.gz YBZUOJFJQYLIIL-QLFBSQMISA-N 1 1 403.487 0.211 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001687432725 1073823470 /nfs/dbraw/zinc/82/34/70/1073823470.db2.gz YBZUOJFJQYLIIL-QLFBSQMISA-N 1 1 403.487 0.211 20 0 HCADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@@H](C)O1 ZINC001687432726 1073823972 /nfs/dbraw/zinc/82/39/72/1073823972.db2.gz YBZUOJFJQYLIIL-RBSFLKMASA-N 1 1 403.487 0.211 20 0 HCADMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001687432727 1073824494 /nfs/dbraw/zinc/82/44/94/1073824494.db2.gz YBZUOJFJQYLIIL-ZNMIVQPWSA-N 1 1 403.487 0.211 20 0 HCADMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2nnc3c(=O)n(C)ccn23)C[C@H](C)O1 ZINC001687432727 1073824491 /nfs/dbraw/zinc/82/44/91/1073824491.db2.gz YBZUOJFJQYLIIL-ZNMIVQPWSA-N 1 1 403.487 0.211 20 0 HCADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC001687449455 1079921653 /nfs/dbraw/zinc/92/16/53/1079921653.db2.gz AQZYIFBPFRDKJY-UHFFFAOYSA-N 1 1 403.593 0.516 20 0 HCADMO O=C(NCc1nnc2n1CCNC2=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001687451310 1079970047 /nfs/dbraw/zinc/97/00/47/1079970047.db2.gz ITAUZTMUIRHRQS-UHFFFAOYSA-N 1 1 411.510 0.872 20 0 HCADMO 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