smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[C@@H]3OC)cc2F)CC1 ZINC000804112406 1075412120 /nfs/dbraw/zinc/41/21/20/1075412120.db2.gz TVJJIDGURXKHKG-XLIONFOSSA-N 1 0 420.529 1.515 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2F)C[C@H](C)O1 ZINC000732241334 1075677603 /nfs/dbraw/zinc/67/76/03/1075677603.db2.gz GNDUCSCKROMJET-SOLBZPMBSA-N 1 0 407.534 1.484 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)CC2)cc1 ZINC000732456514 1075749092 /nfs/dbraw/zinc/74/90/92/1075749092.db2.gz XEPMQOJSHQXRFF-LJQANCHMSA-N 1 0 403.571 1.989 20 10 HDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732919214 1075914060 /nfs/dbraw/zinc/91/40/60/1075914060.db2.gz WLXRAPJZJAMUCM-RBUKOAKNSA-N 1 0 424.549 1.701 20 10 HDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139568 1075973444 /nfs/dbraw/zinc/97/34/44/1075973444.db2.gz UMVZGNPCDTVWOI-FPOVZHCZSA-N 1 0 414.550 1.472 20 10 HDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123870 1075978184 /nfs/dbraw/zinc/97/81/84/1075978184.db2.gz IUYHWCCQEHPIDY-AZUAARDMSA-N 1 0 414.550 1.677 20 10 HDCDRO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1F ZINC000733324825 1076044997 /nfs/dbraw/zinc/04/49/97/1076044997.db2.gz DQGHOVRWYPELFE-UHFFFAOYSA-N 1 0 421.542 1.528 20 10 HDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCCc3nc(C)no3)CC2)cc1 ZINC000727480379 1076139619 /nfs/dbraw/zinc/13/96/19/1076139619.db2.gz XGJXUDJPHZDAGP-UHFFFAOYSA-N 1 0 416.526 1.831 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2F)C[C@@H](C)O1 ZINC000733888991 1076251358 /nfs/dbraw/zinc/25/13/58/1076251358.db2.gz LUICHWBFUUPJIE-NUJGCVRESA-N 1 0 420.529 1.466 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCO[C@@H](C)C3)cc2F)CC1 ZINC000730126014 1076458581 /nfs/dbraw/zinc/45/85/81/1076458581.db2.gz UCSGOJJKKKKYDF-KRWDZBQOSA-N 1 0 407.534 1.488 20 10 HDCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730119282 1076464105 /nfs/dbraw/zinc/46/41/05/1076464105.db2.gz INLVDFVUTZRFRX-INIZCTEOSA-N 1 0 407.534 1.222 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@@H]3OC)cc2F)CC1 ZINC000804112404 1075412061 /nfs/dbraw/zinc/41/20/61/1075412061.db2.gz TVJJIDGURXKHKG-PXNSSMCTSA-N 1 0 420.529 1.515 20 10 HDCDRO COCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000804119822 1075428607 /nfs/dbraw/zinc/42/86/07/1075428607.db2.gz LIUAEATWRRKVFX-QGZVFWFLSA-N 1 0 402.539 1.376 20 10 HDCDRO Cc1cc(C(=O)CN2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000731848938 1075532180 /nfs/dbraw/zinc/53/21/80/1075532180.db2.gz YKQJONBQMQAQEA-SFHVURJKSA-N 1 0 418.563 1.950 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2F)C[C@H](C)O1 ZINC000732241332 1075677644 /nfs/dbraw/zinc/67/76/44/1075677644.db2.gz GNDUCSCKROMJET-JZXOWHBKSA-N 1 0 407.534 1.484 20 10 HDCDRO O=C(C[NH2+]C1(CO)Cc2ccccc2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734002889 1076288995 /nfs/dbraw/zinc/28/89/95/1076288995.db2.gz XEZBMCSEBQKPLH-UHFFFAOYSA-N 1 0 413.493 1.398 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4nc(C)nn4C3)cc2F)CC1 ZINC000730127615 1076459008 /nfs/dbraw/zinc/45/90/08/1076459008.db2.gz SLZOIQWBXLEGMP-QGZVFWFLSA-N 1 0 415.517 1.682 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)Cc3ccccc3)cc2F)CC1 ZINC000730235656 1076490775 /nfs/dbraw/zinc/49/07/75/1076490775.db2.gz KSFSBAWQPLOHPG-UHFFFAOYSA-N 1 0 412.509 1.943 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2F)CC1 ZINC000730269148 1076510779 /nfs/dbraw/zinc/51/07/79/1076510779.db2.gz PULRQSPNCXMUGM-HOTGVXAUSA-N 1 0 414.547 1.411 20 10 HDCDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766023921 1073660252 /nfs/dbraw/zinc/66/02/52/1073660252.db2.gz QUJXYSLIDPASAC-ICSRJNTNSA-N 1 0 406.546 1.719 20 10 HDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732450109 1075740868 /nfs/dbraw/zinc/74/08/68/1075740868.db2.gz NUPGFQQPKDEVKT-UYAOXDASSA-N 1 0 417.554 1.298 20 10 HDCDRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000804222985 1075775246 /nfs/dbraw/zinc/77/52/46/1075775246.db2.gz GORMPROOMKGEFP-HNNXBMFYSA-N 1 0 424.492 1.974 20 10 HDCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727079848 1076039658 /nfs/dbraw/zinc/03/96/58/1076039658.db2.gz UTWPOYFQZLKYBD-KRWDZBQOSA-N 1 0 405.612 1.940 20 10 HDCDRO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727157626 1076070868 /nfs/dbraw/zinc/07/08/68/1076070868.db2.gz MGQHBFYUXVAPGD-INIZCTEOSA-N 1 0 406.502 1.256 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)CC)cc2F)CC1 ZINC000730128537 1076459092 /nfs/dbraw/zinc/45/90/92/1076459092.db2.gz SUAGWZAZSPLPPF-UHFFFAOYSA-N 1 0 400.520 1.202 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)COCC(C)C)cc2F)CC1 ZINC000730132397 1076459592 /nfs/dbraw/zinc/45/95/92/1076459592.db2.gz CNGGUZRWJZIATB-GOSISDBHSA-N 1 0 410.534 1.800 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCC(=O)N3CCOCC3)cc2F)CC1 ZINC000730115940 1076462277 /nfs/dbraw/zinc/46/22/77/1076462277.db2.gz ZHKITJUYOCTROM-UHFFFAOYSA-N 1 0 421.517 1.016 20 10 HDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000730119792 1076463682 /nfs/dbraw/zinc/46/36/82/1076463682.db2.gz QDBOVSUQDBMRNJ-KURKYZTESA-N 1 0 421.561 1.874 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3c(=O)cnc4ccccc43)cc2F)CC1 ZINC000730194293 1076477495 /nfs/dbraw/zinc/47/74/95/1076477495.db2.gz GLORGMJYTFOKCD-UHFFFAOYSA-N 1 0 423.492 1.994 20 10 HDCDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000730593147 1076610641 /nfs/dbraw/zinc/61/06/41/1076610641.db2.gz LHSNKYZJKCAHPM-MRXNPFEDSA-N 1 0 410.540 1.006 20 10 HDCDRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001649122197 1074014945 /nfs/dbraw/zinc/01/49/45/1074014945.db2.gz XEDJAJPRTONIJV-IBGZPJMESA-N 1 0 424.553 1.741 20 10 HDCDRO C[C@H]1CN(c2ccc(CNC(=O)C[NH2+]C3(CO)CCOCC3)cc2F)C[C@H](C)O1 ZINC000731751169 1075507853 /nfs/dbraw/zinc/50/78/53/1075507853.db2.gz NXSDKVNHKPFESI-HOTGVXAUSA-N 1 0 409.502 1.187 20 10 HDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)CC2)cc1 ZINC000731847893 1075531714 /nfs/dbraw/zinc/53/17/14/1075531714.db2.gz NKEPXSDKOQTJCS-OAQYLSRUSA-N 1 0 416.566 1.531 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH]cn4)C3=O)cc2F)CC1 ZINC000804162162 1075567300 /nfs/dbraw/zinc/56/73/00/1075567300.db2.gz TYKUEXTUSDLKBZ-KRWDZBQOSA-N 1 0 400.458 1.354 20 10 HDCDRO CCOCCN1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000732462073 1075751017 /nfs/dbraw/zinc/75/10/17/1075751017.db2.gz FTSDLOBLLYOWRX-UHFFFAOYSA-N 1 0 421.561 1.831 20 10 HDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139566 1075973462 /nfs/dbraw/zinc/97/34/62/1075973462.db2.gz UMVZGNPCDTVWOI-CTNGQTDRSA-N 1 0 414.550 1.472 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=S)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000727086074 1076041322 /nfs/dbraw/zinc/04/13/22/1076041322.db2.gz WCDKRNKXWUSBKL-UHFFFAOYSA-N 1 0 407.628 1.869 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000727226577 1076084739 /nfs/dbraw/zinc/08/47/39/1076084739.db2.gz MPKHWXLUYSCRON-HXUWFJFHSA-N 1 0 401.555 1.697 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000733645913 1076139067 /nfs/dbraw/zinc/13/90/67/1076139067.db2.gz CNILWKCGWZARHC-CQSZACIVSA-N 1 0 400.520 1.200 20 10 HDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 ZINC000730017389 1076417313 /nfs/dbraw/zinc/41/73/13/1076417313.db2.gz GIGPFECFPIUBIW-ZDUSSCGKSA-N 1 0 407.492 1.816 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CS(=O)(=O)C3CCCC3)cc2F)CC1 ZINC000730194554 1076477259 /nfs/dbraw/zinc/47/72/59/1076477259.db2.gz LBLPXKGAAFNAJX-UHFFFAOYSA-N 1 0 411.543 1.941 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc(O)cc3)cc2F)CC1 ZINC000730286073 1076513684 /nfs/dbraw/zinc/51/36/84/1076513684.db2.gz CRZDQXRBIZSKLA-UHFFFAOYSA-N 1 0 414.481 1.719 20 10 HDCDRO COCCN1C(=O)C(=CNCc2ccccc2C[NH+]2CCCCC2)C(=O)NC1=S ZINC000730993531 1076706101 /nfs/dbraw/zinc/70/61/01/1076706101.db2.gz AORHMJODZNHAAS-NBVRZTHBSA-N 1 0 416.547 1.536 20 10 HDCDRO COCCN1C(=O)C(=CNCc2ccccc2C[NH+]2CCCC2)C(=O)NC1=S ZINC000731000317 1076707407 /nfs/dbraw/zinc/70/74/07/1076707407.db2.gz ZQCKBMZYYFJIOU-GHRIWEEISA-N 1 0 402.520 1.146 20 10 HDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])cc2)CC1 ZINC001320732049 1126169039 /nfs/dbraw/zinc/16/90/39/1126169039.db2.gz CYOHSVCNBOZHNN-QFIPXVFZSA-N 1 0 420.517 1.805 20 10 HDCDRO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143828 1075169011 /nfs/dbraw/zinc/16/90/11/1075169011.db2.gz GRAGQOMKLURLNK-AWEZNQCLSA-N 1 0 402.944 1.767 20 10 HDCDRO CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000141704897 1075686911 /nfs/dbraw/zinc/68/69/11/1075686911.db2.gz YNSWIZHPZXBTSK-UHFFFAOYSA-N 1 0 409.534 1.755 20 10 HDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cnn4ccc(C)nc34)CC2)cc1 ZINC000727800883 1076258662 /nfs/dbraw/zinc/25/86/62/1076258662.db2.gz ROGPVGFGNVPMLJ-UHFFFAOYSA-N 1 0 408.506 1.988 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCOCC3(C)C)cc2F)CC1 ZINC000730128716 1076459118 /nfs/dbraw/zinc/45/91/18/1076459118.db2.gz ZDVOUXBLSNOCRZ-UHFFFAOYSA-N 1 0 421.561 1.878 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cc2F)CC1 ZINC000730119869 1076463968 /nfs/dbraw/zinc/46/39/68/1076463968.db2.gz SUHMHEANYJMSCK-UHFFFAOYSA-N 1 0 419.423 1.445 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCN3C(=O)CCC3=O)cc2F)CC1 ZINC000730125353 1076465393 /nfs/dbraw/zinc/46/53/93/1076465393.db2.gz FTTAXMCJORMRJF-UHFFFAOYSA-N 1 0 419.501 1.306 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CCOC)C3)cc2F)CC1 ZINC000730194898 1076477127 /nfs/dbraw/zinc/47/71/27/1076477127.db2.gz SCIUNEHZLYLUQN-QGZVFWFLSA-N 1 0 406.502 1.079 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CN3C(=O)N[C@@](C)(CC)C3=O)cc2F)CC1 ZINC000730194828 1076477269 /nfs/dbraw/zinc/47/72/69/1076477269.db2.gz QLHLCVCFGZUYPJ-NRFANRHFSA-N 1 0 419.501 1.304 20 10 HDCDRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccccc1O ZINC000731842860 1075548689 /nfs/dbraw/zinc/54/86/89/1075548689.db2.gz LZJBGLKJVJUJTH-UHFFFAOYSA-N 1 0 421.494 1.496 20 10 HDCDRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207711 1075665028 /nfs/dbraw/zinc/66/50/28/1075665028.db2.gz JVEBIWTXIMYASQ-XYJFISCASA-N 1 0 420.529 1.514 20 10 HDCDRO C[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)Cc1ccccc1O ZINC000732202904 1075674965 /nfs/dbraw/zinc/67/49/65/1075674965.db2.gz IRBLAUDGWVLLLA-UHFFFAOYSA-N 1 0 414.481 1.746 20 10 HDCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000732202192 1075675037 /nfs/dbraw/zinc/67/50/37/1075675037.db2.gz IQPFQDGWJCIODT-LJQANCHMSA-N 1 0 411.506 1.512 20 10 HDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000732412598 1075738980 /nfs/dbraw/zinc/73/89/80/1075738980.db2.gz QRZYNVOTVJFSFP-LJQANCHMSA-N 1 0 414.550 1.678 20 10 HDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123873 1075978209 /nfs/dbraw/zinc/97/82/09/1075978209.db2.gz IUYHWCCQEHPIDY-UYAOXDASSA-N 1 0 414.550 1.677 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)N3CCC[N@@H+](C(C)C)CC3)CC2)cc1 ZINC000727941131 1076291993 /nfs/dbraw/zinc/29/19/93/1076291993.db2.gz LFNTVYXOAQUORL-UHFFFAOYSA-N 1 0 403.571 1.943 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(=O)N(C)C)CC3)cc2F)CC1 ZINC000730133438 1076460168 /nfs/dbraw/zinc/46/01/68/1076460168.db2.gz SBWWDPVVXSGMTE-UHFFFAOYSA-N 1 0 419.545 1.977 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)[C@H](C)N3CCOCC3)cc2F)CC1 ZINC000730125028 1076465307 /nfs/dbraw/zinc/46/53/07/1076465307.db2.gz CHFBIPXDYFSZKQ-ROUUACIJSA-N 1 0 421.561 1.876 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3nc4ccccn4c3=O)cc2F)CC1 ZINC000730193603 1076476612 /nfs/dbraw/zinc/47/66/12/1076476612.db2.gz NXALIBQGIGWUQZ-UHFFFAOYSA-N 1 0 412.469 1.093 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCCS(C)(=O)=O)cc2F)CC1 ZINC000730273797 1076517146 /nfs/dbraw/zinc/51/71/46/1076517146.db2.gz XVEZOTCWGNGUBQ-UHFFFAOYSA-N 1 0 400.520 1.202 20 10 HDCDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766023923 1073660764 /nfs/dbraw/zinc/66/07/64/1073660764.db2.gz QUJXYSLIDPASAC-UYAOXDASSA-N 1 0 406.546 1.719 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+]C3(CO)CCOCC3)cc2F)C[C@@H](C)O1 ZINC000731751170 1075507886 /nfs/dbraw/zinc/50/78/86/1075507886.db2.gz NXSDKVNHKPFESI-HZPDHXFCSA-N 1 0 409.502 1.187 20 10 HDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)cc2=O ZINC000731843827 1075529649 /nfs/dbraw/zinc/52/96/49/1075529649.db2.gz ZLAQLOOXDFUSDF-QGZVFWFLSA-N 1 0 416.526 1.214 20 10 HDCDRO Cc1cc(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000731848937 1075532144 /nfs/dbraw/zinc/53/21/44/1075532144.db2.gz YKQJONBQMQAQEA-GOSISDBHSA-N 1 0 418.563 1.950 20 10 HDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CN3CCCC3=O)CC2)cc1 ZINC000732210855 1075666739 /nfs/dbraw/zinc/66/67/39/1075666739.db2.gz MXUGPQMKKMSXLA-HXUWFJFHSA-N 1 0 414.550 1.821 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](O)COCC3CC3)cc2F)CC1 ZINC000730133517 1076460199 /nfs/dbraw/zinc/46/01/99/1076460199.db2.gz WZPRPDGZJBAEEY-GOSISDBHSA-N 1 0 408.518 1.554 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC3CCN(C(C)=O)CC3)cc2F)CC1 ZINC000730112560 1076461441 /nfs/dbraw/zinc/46/14/41/1076461441.db2.gz DGPQZHOSVDSAJE-UHFFFAOYSA-N 1 0 405.518 1.778 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(CCOC)C3)cc2F)CC1 ZINC000730194895 1076477155 /nfs/dbraw/zinc/47/71/55/1076477155.db2.gz SCIUNEHZLYLUQN-KRWDZBQOSA-N 1 0 406.502 1.079 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCOC[C@@H]3CCOC3)cc2F)CC1 ZINC000731687406 1075449449 /nfs/dbraw/zinc/44/94/49/1075449449.db2.gz LJANPZCVRNJFKZ-GOSISDBHSA-N 1 0 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CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ccc(C(N)=O)cc3)cc2F)CC1 ZINC000730268906 1076509012 /nfs/dbraw/zinc/50/90/12/1076509012.db2.gz JJLUCTODVPWJOC-UHFFFAOYSA-N 1 0 420.510 1.545 20 10 HDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732450967 1075741442 /nfs/dbraw/zinc/74/14/42/1075741442.db2.gz SYKSMAKNHVVJHY-KRWDZBQOSA-N 1 0 408.518 1.697 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)N3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000733644001 1076137500 /nfs/dbraw/zinc/13/75/00/1076137500.db2.gz DNNCCGJGTMAKIZ-UHFFFAOYSA-N 1 0 401.555 1.697 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2F)C[C@H](C)O1 ZINC000733888995 1076251241 /nfs/dbraw/zinc/25/12/41/1076251241.db2.gz LUICHWBFUUPJIE-SOLBZPMBSA-N 1 0 420.529 1.466 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCN(C(C)=O)CC3)cc2F)CC1 ZINC000730134059 1076460229 /nfs/dbraw/zinc/46/02/29/1076460229.db2.gz LRWCIKMEQSHVIY-UHFFFAOYSA-N 1 0 405.518 1.731 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN(C(=O)N(C)C)CC3)cc2F)CC1 ZINC000730134458 1076460341 /nfs/dbraw/zinc/46/03/41/1076460341.db2.gz BOXOHURQGFUFEF-UHFFFAOYSA-N 1 0 420.533 1.476 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3c(C)nc(C)[nH]c3=O)cc2F)CC1 ZINC000730235617 1076490787 /nfs/dbraw/zinc/49/07/87/1076490787.db2.gz IQCUXZLYTUMCNV-UHFFFAOYSA-N 1 0 401.486 1.939 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNS(=O)(=O)c3c(C)nn(C)c3C)cc2F)CC1 ZINC000730268934 1076508998 /nfs/dbraw/zinc/50/89/98/1076508998.db2.gz KPSKHIYOJNAOCA-UHFFFAOYSA-N 1 0 409.531 1.796 20 10 HDCDRO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000804176824 1075608627 /nfs/dbraw/zinc/60/86/27/1075608627.db2.gz HLKODLJFAWTTCH-FQEVSTJZSA-N 1 0 408.506 1.605 20 10 HDCDRO C[C@@](CO)([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000732202259 1075675345 /nfs/dbraw/zinc/67/53/45/1075675345.db2.gz KMAREHYWEDAGBO-QFIPXVFZSA-N 1 0 401.482 1.776 20 10 HDCDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000732254107 1075687942 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420.533 1.558 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccnc(-n4cncn4)c3)cc2F)CC1 ZINC000730193187 1076477283 /nfs/dbraw/zinc/47/72/83/1076477283.db2.gz YGFXMTBMWBEOJI-UHFFFAOYSA-N 1 0 409.469 1.873 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-n4cnnn4)cc3)cc2F)CC1 ZINC000730235197 1076490924 /nfs/dbraw/zinc/49/09/24/1076490924.db2.gz NZNFZEOIHWBYLR-UHFFFAOYSA-N 1 0 409.469 1.873 20 10 HDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000730279979 1076520795 /nfs/dbraw/zinc/52/07/95/1076520795.db2.gz VSUDGHVLAKNILU-UHFFFAOYSA-N 1 0 400.502 1.900 20 10 HDCDRO Cn1cnc2c1c(=O)n(CCC[N@H+](Cc1ccccc1O)C1CCCC1)c(=O)n2C ZINC000732204837 1075675762 /nfs/dbraw/zinc/67/57/62/1075675762.db2.gz FDFSABQFORXNPT-UHFFFAOYSA-N 1 0 411.506 1.974 20 10 HDCDRO O=C(C[NH+]1CCC(n2ccnc2)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732204732 1075676134 /nfs/dbraw/zinc/67/61/34/1075676134.db2.gz QSFBDSZXASUTSW-UHFFFAOYSA-N 1 0 401.486 1.812 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000732704538 1075837489 /nfs/dbraw/zinc/83/74/89/1075837489.db2.gz XWZLALINGLBACG-OAHLLOKOSA-N 1 0 414.547 1.542 20 10 HDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732919213 1075914085 /nfs/dbraw/zinc/91/40/85/1075914085.db2.gz WLXRAPJZJAMUCM-OALUTQOASA-N 1 0 424.549 1.701 20 10 HDCDRO COCCNC(=O)c1ccc(NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000732920430 1075914109 /nfs/dbraw/zinc/91/41/09/1075914109.db2.gz RUEMHBOKKGHPMC-UHFFFAOYSA-N 1 0 413.522 1.701 20 10 HDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)cc2=O ZINC000732983762 1075937176 /nfs/dbraw/zinc/93/71/76/1075937176.db2.gz DMPWKYWMVBWGCY-CQSZACIVSA-N 1 0 417.510 1.986 20 10 HDCDRO COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000734073009 1076301858 /nfs/dbraw/zinc/30/18/58/1076301858.db2.gz ZMNRXNJHNAEEAN-UHFFFAOYSA-N 1 0 412.490 1.798 20 10 HDCDRO CCC(=O)N1CSC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000728017859 1076305322 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404.555 1.805 20 10 HDCDRO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000727157627 1076071005 /nfs/dbraw/zinc/07/10/05/1076071005.db2.gz MGQHBFYUXVAPGD-MRXNPFEDSA-N 1 0 406.502 1.256 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](C[NH+](C)C)C3)cc2F)C[C@@H](C)O1 ZINC000733614176 1076129763 /nfs/dbraw/zinc/12/97/63/1076129763.db2.gz BMPALXGZURDVFJ-LMMKCTJWSA-N 1 0 406.546 1.939 20 10 HDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCOCC1 ZINC000733847530 1076218000 /nfs/dbraw/zinc/21/80/00/1076218000.db2.gz GDWFHJLKHSIIPX-UHFFFAOYSA-N 1 0 408.518 1.697 20 10 HDCDRO O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733855321 1076231039 /nfs/dbraw/zinc/23/10/39/1076231039.db2.gz HNSZSQCTNVIRGN-UHFFFAOYSA-N 1 0 406.446 1.359 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Nc3cnn(CC(=O)NC)c3)cc2F)CC1 ZINC000730134238 1076460482 /nfs/dbraw/zinc/46/04/82/1076460482.db2.gz UJOYFRMPSAOXNA-UHFFFAOYSA-N 1 0 417.489 1.232 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(=O)N3CCCCC3)cc2F)CC1 ZINC000730116434 1076462748 /nfs/dbraw/zinc/46/27/48/1076462748.db2.gz CSDFQRBPHXQOFQ-UHFFFAOYSA-N 1 0 405.518 1.779 20 10 HDCDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000730119794 1076463487 /nfs/dbraw/zinc/46/34/87/1076463487.db2.gz QDBOVSUQDBMRNJ-OKZBNKHCSA-N 1 0 421.561 1.874 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)CN3CCOCC3)cc2F)CC1 ZINC000730118461 1076463631 /nfs/dbraw/zinc/46/36/31/1076463631.db2.gz RMYNBOXZIQFOAV-QGZVFWFLSA-N 1 0 407.534 1.488 20 10 HDCDRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001649122203 1074010520 /nfs/dbraw/zinc/01/05/20/1074010520.db2.gz XEDJAJPRTONIJV-LJQANCHMSA-N 1 0 424.553 1.741 20 10 HDCDRO COc1ccc(N2CC[NH+](CCCN3C(=O)N[C@@H](Cc4c[nH]cn4)C3=O)CC2)cc1 ZINC000804143792 1075541795 /nfs/dbraw/zinc/54/17/95/1075541795.db2.gz NKNMYRZXEWSCIX-IBGZPJMESA-N 1 0 412.494 1.094 20 10 HDCDRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1O ZINC000731843123 1075547958 /nfs/dbraw/zinc/54/79/58/1075547958.db2.gz XNWVBMNRJOIZIC-UHFFFAOYSA-N 1 0 421.494 1.496 20 10 HDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)OCO2 ZINC000732913844 1075911142 /nfs/dbraw/zinc/91/11/42/1075911142.db2.gz CVXZSEBPGJEXAU-MRXNPFEDSA-N 1 0 413.478 1.506 20 10 HDCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727079849 1076039638 /nfs/dbraw/zinc/03/96/38/1076039638.db2.gz UTWPOYFQZLKYBD-QGZVFWFLSA-N 1 0 405.612 1.940 20 10 HDCDRO C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000727085680 1076040979 /nfs/dbraw/zinc/04/09/79/1076040979.db2.gz UKEOBYJXFCEQHH-UHFFFAOYSA-N 1 0 412.625 1.473 20 10 HDCDRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728053505 1076320718 /nfs/dbraw/zinc/32/07/18/1076320718.db2.gz MSVDWNAOLAHMPH-QGZVFWFLSA-N 1 0 407.486 1.363 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)COCC(C)C)cc2F)CC1 ZINC000730132399 1076459515 /nfs/dbraw/zinc/45/95/15/1076459515.db2.gz CNGGUZRWJZIATB-SFHVURJKSA-N 1 0 410.534 1.800 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCN3CCOCC3)cc2F)CC1 ZINC000730133623 1076459995 /nfs/dbraw/zinc/45/99/95/1076459995.db2.gz CFRMXPTWDQLKHP-UHFFFAOYSA-N 1 0 407.534 1.441 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)N3CCOCC3)cc2F)CC1 ZINC000730113462 1076461485 /nfs/dbraw/zinc/46/14/85/1076461485.db2.gz VHFVMLZDWREMNI-UHFFFAOYSA-N 1 0 421.561 1.878 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2F)CC1 ZINC000730116223 1076462638 /nfs/dbraw/zinc/46/26/38/1076462638.db2.gz WMOSRPOSZPSHEP-INIZCTEOSA-N 1 0 412.531 1.202 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(C(N)=O)cc3)cc2F)CC1 ZINC000730194852 1076477173 /nfs/dbraw/zinc/47/71/73/1076477173.db2.gz RCIIOXZJZMYMLD-UHFFFAOYSA-N 1 0 414.481 1.762 20 10 HDCDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000730809171 1076666655 /nfs/dbraw/zinc/66/66/55/1076666655.db2.gz UQPWZSFWMDGWPP-IBGZPJMESA-N 1 0 404.530 1.839 20 10 HDCDRO CCCCN(C(=O)C[N@H+](C)Cc1ccccc1O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000731843430 1075547604 /nfs/dbraw/zinc/54/76/04/1075547604.db2.gz FYOXNPSWYQXXIW-UHFFFAOYSA-N 1 0 417.510 1.912 20 10 HDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123871 1075978243 /nfs/dbraw/zinc/97/82/43/1075978243.db2.gz IUYHWCCQEHPIDY-ICSRJNTNSA-N 1 0 414.550 1.677 20 10 HDCDRO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728053504 1076320898 /nfs/dbraw/zinc/32/08/98/1076320898.db2.gz MSVDWNAOLAHMPH-KRWDZBQOSA-N 1 0 407.486 1.363 20 10 HDCDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000728142773 1076342068 /nfs/dbraw/zinc/34/20/68/1076342068.db2.gz YBEDJDLHFNNATP-UHFFFAOYSA-N 1 0 410.518 1.882 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CN3CCOCC3)cc2F)CC1 ZINC000730118458 1076463472 /nfs/dbraw/zinc/46/34/72/1076463472.db2.gz RMYNBOXZIQFOAV-KRWDZBQOSA-N 1 0 407.534 1.488 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cnc4ccccc4c3=O)cc2F)CC1 ZINC000730193168 1076477161 /nfs/dbraw/zinc/47/71/61/1076477161.db2.gz XZDXHHLZSIVURW-UHFFFAOYSA-N 1 0 423.492 1.994 20 10 HDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3cn(-c4ccccc4)nn3)C(=O)[O-])cc2)CC1 ZINC001320732048 1126169072 /nfs/dbraw/zinc/16/90/72/1126169072.db2.gz CYOHSVCNBOZHNN-JOCHJYFZSA-N 1 0 420.517 1.805 20 10 HDCDRO CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@@H]3CCCC[N@@H+]3C)CC1)cc2=O ZINC000731843826 1075529674 /nfs/dbraw/zinc/52/96/74/1075529674.db2.gz ZLAQLOOXDFUSDF-KRWDZBQOSA-N 1 0 416.526 1.214 20 10 HDCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCN(c2cnccn2)CC1 ZINC000732202190 1075674998 /nfs/dbraw/zinc/67/49/98/1075674998.db2.gz IQPFQDGWJCIODT-IBGZPJMESA-N 1 0 411.506 1.512 20 10 HDCDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732242977 1075677983 /nfs/dbraw/zinc/67/79/83/1075677983.db2.gz IZUZNCJZSDZCPK-FQEVSTJZSA-N 1 0 403.571 1.991 20 10 HDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732455441 1075748426 /nfs/dbraw/zinc/74/84/26/1075748426.db2.gz LSSMDLZQSMDSCG-HXUWFJFHSA-N 1 0 419.570 1.227 20 10 HDCDRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000732985660 1075938465 /nfs/dbraw/zinc/93/84/65/1075938465.db2.gz LOJMYHGLGGUZPC-UHFFFAOYSA-N 1 0 403.495 1.877 20 10 HDCDRO CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000733331097 1076045179 /nfs/dbraw/zinc/04/51/79/1076045179.db2.gz ZYZVYPJLHZNZJQ-UHFFFAOYSA-N 1 0 423.560 1.583 20 10 HDCDRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000733331071 1076045380 /nfs/dbraw/zinc/04/53/80/1076045380.db2.gz ZDEWXJKURUVLLE-UHFFFAOYSA-N 1 0 407.467 1.728 20 10 HDCDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727469596 1076136995 /nfs/dbraw/zinc/13/69/95/1076136995.db2.gz XRIGONIDKADHGA-UHFFFAOYSA-N 1 0 407.511 1.872 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)NCC3([NH+](C)C)CCOCC3)CC2)cc1 ZINC000733848022 1076218352 /nfs/dbraw/zinc/21/83/52/1076218352.db2.gz KFTSGSPVWCPDPN-UHFFFAOYSA-N 1 0 419.570 1.227 20 10 HDCDRO COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)cc1 ZINC000733855871 1076231430 /nfs/dbraw/zinc/23/14/30/1076231430.db2.gz NKJQVHHPKJOUKZ-UHFFFAOYSA-N 1 0 420.473 2.000 20 10 HDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCOc3cccnc3)CC2)cc1 ZINC000734010745 1076289337 /nfs/dbraw/zinc/28/93/37/1076289337.db2.gz ISNHSNYNCXIRAE-UHFFFAOYSA-N 1 0 413.522 1.981 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCOC[C@@H]3C)cc2F)CC1 ZINC000730125390 1076465276 /nfs/dbraw/zinc/46/52/76/1076465276.db2.gz GTSSZDKLRRUIMY-KRWDZBQOSA-N 1 0 407.534 1.488 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCOC(C)(C)C3)cc2F)CC1 ZINC000730124814 1076465323 /nfs/dbraw/zinc/46/53/23/1076465323.db2.gz LRVWBBZNMJJYGP-UHFFFAOYSA-N 1 0 421.561 1.878 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cn3ncc4ccccc4c3=O)cc2F)CC1 ZINC000730194694 1076477110 /nfs/dbraw/zinc/47/71/10/1076477110.db2.gz WRTPDBFODAFEGS-UHFFFAOYSA-N 1 0 423.492 1.994 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCC(=O)N3CCOCC3)cc2F)CC1 ZINC000730235558 1076490759 /nfs/dbraw/zinc/49/07/59/1076490759.db2.gz GCPKVSKNSLAAAG-UHFFFAOYSA-N 1 0 406.502 1.223 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(OC)nc3)cc2F)CC1 ZINC000730391547 1076558954 /nfs/dbraw/zinc/55/89/54/1076558954.db2.gz PQWFJXRZOCMICE-UHFFFAOYSA-N 1 0 415.469 1.626 20 10 HDCDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766023922 1073660976 /nfs/dbraw/zinc/66/09/76/1073660976.db2.gz QUJXYSLIDPASAC-QUCCMNQESA-N 1 0 406.546 1.719 20 10 HDCDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC[C@@H]21 ZINC000766122609 1075127049 /nfs/dbraw/zinc/12/70/49/1075127049.db2.gz KYCVWWZQGOPMCY-ICSRJNTNSA-N 1 0 404.530 1.695 20 10 HDCDRO COCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000804119821 1075428626 /nfs/dbraw/zinc/42/86/26/1075428626.db2.gz LIUAEATWRRKVFX-KRWDZBQOSA-N 1 0 402.539 1.376 20 10 HDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CN3CCCC3=O)CC2)cc1 ZINC000732210853 1075666811 /nfs/dbraw/zinc/66/68/11/1075666811.db2.gz MXUGPQMKKMSXLA-FQEVSTJZSA-N 1 0 414.550 1.821 20 10 HDCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCN(C(=O)C2CC2)CC1 ZINC000732202020 1075674690 /nfs/dbraw/zinc/67/46/90/1075674690.db2.gz DEUYDQTXAKUOOX-LJQANCHMSA-N 1 0 401.507 1.454 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc2F)CC1 ZINC000732704537 1075837427 /nfs/dbraw/zinc/83/74/27/1075837427.db2.gz XWZLALINGLBACG-HNNXBMFYSA-N 1 0 414.547 1.542 20 10 HDCDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000733123872 1075978262 /nfs/dbraw/zinc/97/82/62/1075978262.db2.gz IUYHWCCQEHPIDY-QUCCMNQESA-N 1 0 414.550 1.677 20 10 HDCDRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000730017803 1076416740 /nfs/dbraw/zinc/41/67/40/1076416740.db2.gz PCCPIASRLSQIJT-LLVKDONJSA-N 1 0 407.448 1.146 20 10 HDCDRO CCOC(=O)N1CCN(C(=O)NCc2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000730133420 1076460079 /nfs/dbraw/zinc/46/00/79/1076460079.db2.gz RJXVFXDNUFWPPB-UHFFFAOYSA-N 1 0 421.517 1.951 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(=O)OC)C3)cc2F)CC1 ZINC000730134363 1076460454 /nfs/dbraw/zinc/46/04/54/1076460454.db2.gz ZWGRUSYZQLFYOL-SFHVURJKSA-N 1 0 408.474 1.051 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCOC[C@H]3C)cc2F)CC1 ZINC000730125392 1076465468 /nfs/dbraw/zinc/46/54/68/1076465468.db2.gz GTSSZDKLRRUIMY-QGZVFWFLSA-N 1 0 407.534 1.488 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2F)CC1 ZINC000730192940 1076476594 /nfs/dbraw/zinc/47/65/94/1076476594.db2.gz SCOPDOBDBRNTJG-GOSISDBHSA-N 1 0 412.531 1.008 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)c(C)nn(C)c3=O)cc2F)CC1 ZINC000730194955 1076477191 /nfs/dbraw/zinc/47/71/91/1076477191.db2.gz ZSKODSMZTDXUAA-UHFFFAOYSA-N 1 0 401.486 1.608 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCNC(=O)c3ccco3)cc2F)CC1 ZINC000730194212 1076477518 /nfs/dbraw/zinc/47/75/18/1076477518.db2.gz AJPPPIDUGCNCEG-UHFFFAOYSA-N 1 0 402.470 1.997 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)o3)cc2F)CC1 ZINC000730235226 1076490906 /nfs/dbraw/zinc/49/09/06/1076490906.db2.gz QDHAKXDXNJUOCV-UHFFFAOYSA-N 1 0 410.471 1.138 20 10 HDCDRO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766143830 1075169310 /nfs/dbraw/zinc/16/93/10/1075169310.db2.gz GRAGQOMKLURLNK-CQSZACIVSA-N 1 0 402.944 1.767 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCC[C@H]3OC)cc2F)CC1 ZINC000804112407 1075412088 /nfs/dbraw/zinc/41/20/88/1075412088.db2.gz TVJJIDGURXKHKG-YLJYHZDGSA-N 1 0 420.529 1.515 20 10 HDCDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000733325024 1076045020 /nfs/dbraw/zinc/04/50/20/1076045020.db2.gz SJURAHTWZUNKTI-UHFFFAOYSA-N 1 0 410.927 1.682 20 10 HDCDRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3cc(OC)ccc3O)cc2)CC1 ZINC000734072692 1076301526 /nfs/dbraw/zinc/30/15/26/1076301526.db2.gz NYLZFFRBYIORQX-UHFFFAOYSA-N 1 0 412.490 1.798 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCO[C@H](C)C3)cc2F)CC1 ZINC000730126016 1076458316 /nfs/dbraw/zinc/45/83/16/1076458316.db2.gz UCSGOJJKKKKYDF-QGZVFWFLSA-N 1 0 407.534 1.488 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)NC4=O)cc2F)CC1 ZINC000730286018 1076513898 /nfs/dbraw/zinc/51/38/98/1076513898.db2.gz AJWPAIUEELMBJR-UHFFFAOYSA-N 1 0 410.449 1.781 20 10 HDCDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000730809172 1076666586 /nfs/dbraw/zinc/66/65/86/1076666586.db2.gz UQPWZSFWMDGWPP-LJQANCHMSA-N 1 0 404.530 1.839 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[C@H]3OC)cc2F)CC1 ZINC000804112403 1075412025 /nfs/dbraw/zinc/41/20/25/1075412025.db2.gz TVJJIDGURXKHKG-FXAWDEMLSA-N 1 0 420.529 1.515 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NCCOC[C@H]3CCOC3)cc2F)CC1 ZINC000731687407 1075449292 /nfs/dbraw/zinc/44/92/92/1075449292.db2.gz LJANPZCVRNJFKZ-SFHVURJKSA-N 1 0 408.518 1.820 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(OC)ncnc3OC)cc2F)CC1 ZINC000731992018 1075587434 /nfs/dbraw/zinc/58/74/34/1075587434.db2.gz YTSORJWAIOVPDD-UHFFFAOYSA-N 1 0 403.458 1.705 20 10 HDCDRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207709 1075665146 /nfs/dbraw/zinc/66/51/46/1075665146.db2.gz JVEBIWTXIMYASQ-JZXOWHBKSA-N 1 0 420.529 1.514 20 10 HDCDRO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1ccccc1O ZINC000732203205 1075675808 /nfs/dbraw/zinc/67/58/08/1075675808.db2.gz PQWHRYJNZOOSMF-UHFFFAOYSA-N 1 0 403.504 1.357 20 10 HDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732450969 1075741469 /nfs/dbraw/zinc/74/14/69/1075741469.db2.gz SYKSMAKNHVVJHY-QGZVFWFLSA-N 1 0 408.518 1.697 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@H](C[NH+](C)C)C3)cc2F)C[C@H](C)O1 ZINC000733614177 1076129682 /nfs/dbraw/zinc/12/96/82/1076129682.db2.gz BMPALXGZURDVFJ-SCTDSRPQSA-N 1 0 406.546 1.939 20 10 HDCDRO O[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)COc1ccc2c(c1)OCO2 ZINC000727469485 1076137041 /nfs/dbraw/zinc/13/70/41/1076137041.db2.gz ZTAAJRCKIFVICM-MRXNPFEDSA-N 1 0 404.438 1.921 20 10 HDCDRO C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCOCC1 ZINC000733848417 1076218333 /nfs/dbraw/zinc/21/83/33/1076218333.db2.gz OPTKEKSWQSAUGB-UHFFFAOYSA-N 1 0 404.555 1.805 20 10 HDCDRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000730017804 1076416734 /nfs/dbraw/zinc/41/67/34/1076416734.db2.gz PCCPIASRLSQIJT-NSHDSACASA-N 1 0 407.448 1.146 20 10 HDCDRO CCOc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)c(O)c1 ZINC000730017981 1076417559 /nfs/dbraw/zinc/41/75/59/1076417559.db2.gz WBSWIRBJHYSEHG-CYBMUJFWSA-N 1 0 407.492 1.816 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)COCC3CC3)cc2F)CC1 ZINC000730133518 1076460026 /nfs/dbraw/zinc/46/00/26/1076460026.db2.gz WZPRPDGZJBAEEY-SFHVURJKSA-N 1 0 408.518 1.554 20 10 HDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730118997 1076463600 /nfs/dbraw/zinc/46/36/00/1076463600.db2.gz DSYLIHSDMCZBDP-GOSISDBHSA-N 1 0 403.571 1.330 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCc3c(C)[nH]c(=O)[nH]c3=O)cc2F)CC1 ZINC000730194473 1076477061 /nfs/dbraw/zinc/47/70/61/1076477061.db2.gz IVYSXANPQGECGN-UHFFFAOYSA-N 1 0 417.485 1.726 20 10 HDCDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc2)CC1 ZINC000731718489 1075472139 /nfs/dbraw/zinc/47/21/39/1075472139.db2.gz QGOBAGVKQNDSBB-UHFFFAOYSA-N 1 0 404.492 1.768 20 10 HDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)cc2=O ZINC000731849013 1075532228 /nfs/dbraw/zinc/53/22/28/1075532228.db2.gz ZXCUFEIXJFBOKM-INIZCTEOSA-N 1 0 403.483 1.298 20 10 HDCDRO C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000733856573 1076231732 /nfs/dbraw/zinc/23/17/32/1076231732.db2.gz WIQHJEBJBJEUBO-INIZCTEOSA-N 1 0 420.473 1.920 20 10 HDCDRO COc1ccc(O)c(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000734070618 1076300822 /nfs/dbraw/zinc/30/08/22/1076300822.db2.gz IKBJUKMGLBQZNX-UHFFFAOYSA-N 1 0 414.510 1.592 20 10 HDCDRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000728054558 1076321856 /nfs/dbraw/zinc/32/18/56/1076321856.db2.gz LRPBBFJKKYJXTA-UHFFFAOYSA-N 1 0 421.497 1.789 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H](CNC(N)=O)C3)cc2F)CC1 ZINC000730133221 1076460039 /nfs/dbraw/zinc/46/00/39/1076460039.db2.gz MGFRLRPYCLYZNK-QGZVFWFLSA-N 1 0 420.533 1.558 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)[C@@H](C)N3CCOCC3)cc2F)CC1 ZINC000730125027 1076465375 /nfs/dbraw/zinc/46/53/75/1076465375.db2.gz CHFBIPXDYFSZKQ-QZTJIDSGSA-N 1 0 421.561 1.876 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc2F)CC1 ZINC000730235472 1076490810 /nfs/dbraw/zinc/49/08/10/1076490810.db2.gz AGRKTUCURZOYPR-UHFFFAOYSA-N 1 0 414.547 1.302 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)c3ccoc3C)cc2F)CC1 ZINC000730287957 1076515212 /nfs/dbraw/zinc/51/52/12/1076515212.db2.gz PFNWDOLKIIJVHO-UHFFFAOYSA-N 1 0 402.470 1.915 20 10 HDCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CN3CCOCC3)CC2)cc1 ZINC000731847892 1075531792 /nfs/dbraw/zinc/53/17/92/1075531792.db2.gz NKEPXSDKOQTJCS-NRFANRHFSA-N 1 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CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(=O)OC)C3)cc2F)CC1 ZINC000730134362 1076460303 /nfs/dbraw/zinc/46/03/03/1076460303.db2.gz ZWGRUSYZQLFYOL-GOSISDBHSA-N 1 0 408.474 1.051 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3OCC(N)=O)cc2F)CC1 ZINC000730194250 1076477526 /nfs/dbraw/zinc/47/75/26/1076477526.db2.gz CXOHPFSPUBACCX-UHFFFAOYSA-N 1 0 414.481 1.762 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CN(C)CC(=O)NC(C)C)cc2F)CC1 ZINC000730235562 1076490559 /nfs/dbraw/zinc/49/05/59/1076490559.db2.gz GFLXJEUMNDKMQH-UHFFFAOYSA-N 1 0 407.534 1.040 20 10 HDCDRO C[N@@H+]1CCC[C@H]2CN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC[C@H]21 ZINC000766122605 1075127148 /nfs/dbraw/zinc/12/71/48/1075127148.db2.gz KYCVWWZQGOPMCY-AZUAARDMSA-N 1 0 404.530 1.695 20 10 HDCDRO COC(=O)CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cc(Cl)ccc1O ZINC000731847049 1075531319 /nfs/dbraw/zinc/53/13/19/1075531319.db2.gz RQSITQYUUPVADW-UHFFFAOYSA-N 1 0 409.914 1.764 20 10 HDCDRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000732207710 1075665097 /nfs/dbraw/zinc/66/50/97/1075665097.db2.gz JVEBIWTXIMYASQ-SOLBZPMBSA-N 1 0 420.529 1.514 20 10 HDCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NCCN3CCSCC3)CC2)cc1 ZINC000732883697 1075890972 /nfs/dbraw/zinc/89/09/72/1075890972.db2.gz ZCMUDTUEWBKJNV-UHFFFAOYSA-N 1 0 421.611 1.555 20 10 HDCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCN(c3cc(N4CCOCC4)ncn3)C1)OCO2 ZINC000732913842 1075911194 /nfs/dbraw/zinc/91/11/94/1075911194.db2.gz CVXZSEBPGJEXAU-INIZCTEOSA-N 1 0 413.478 1.506 20 10 HDCDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O ZINC000733139570 1075973376 /nfs/dbraw/zinc/97/33/76/1075973376.db2.gz UMVZGNPCDTVWOI-PZJWPPBQSA-N 1 0 414.550 1.472 20 10 HDCDRO COCCC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000727034380 1076029617 /nfs/dbraw/zinc/02/96/17/1076029617.db2.gz QNBPQOQILHKJBI-UHFFFAOYSA-N 1 0 408.518 1.962 20 10 HDCDRO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733328576 1076045029 /nfs/dbraw/zinc/04/50/29/1076045029.db2.gz VOLRSPBOZIGEQE-CYBMUJFWSA-N 1 0 408.499 1.917 20 10 HDCDRO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2F)C[C@H](C)O1 ZINC000733888987 1076251195 /nfs/dbraw/zinc/25/11/95/1076251195.db2.gz LUICHWBFUUPJIE-JZXOWHBKSA-N 1 0 420.529 1.466 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2F)CC1 ZINC000730134093 1076460553 /nfs/dbraw/zinc/46/05/53/1076460553.db2.gz MVFXUWXWKLOOHV-INIZCTEOSA-N 1 0 412.531 1.296 20 10 HDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730119284 1076463989 /nfs/dbraw/zinc/46/39/89/1076463989.db2.gz INLVDFVUTZRFRX-MRXNPFEDSA-N 1 0 407.534 1.222 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3-n3cnnn3)cc2F)CC1 ZINC000730195008 1076477137 /nfs/dbraw/zinc/47/71/37/1076477137.db2.gz WQYSVUGBWPEBQR-UHFFFAOYSA-N 1 0 409.469 1.873 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-n4ccnc4)nn3)cc2F)CC1 ZINC000730234773 1076490047 /nfs/dbraw/zinc/49/00/47/1076490047.db2.gz AGMLODCJQVXMMK-UHFFFAOYSA-N 1 0 409.469 1.873 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cnccc3OC)cc2F)CC1 ZINC000730391647 1076558581 /nfs/dbraw/zinc/55/85/81/1076558581.db2.gz PJSRDXPJEALCDC-UHFFFAOYSA-N 1 0 415.469 1.626 20 10 HDCDRO C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])cc2)CC1 ZINC000756388460 1126108846 /nfs/dbraw/zinc/10/88/46/1126108846.db2.gz OMANQWNOBHDXKM-MRXNPFEDSA-N 1 0 411.428 1.897 20 10 HDCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000731502054 1075369026 /nfs/dbraw/zinc/36/90/26/1075369026.db2.gz FOUJGHUZFMLFJF-UHFFFAOYSA-N 1 0 401.555 1.811 20 10 HDCDRO O=S(=O)(CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCCCO1 ZINC000732232653 1075684755 /nfs/dbraw/zinc/68/47/55/1075684755.db2.gz OYDJHYMWKICHEJ-QGZVFWFLSA-N 1 0 415.531 1.240 20 10 HDCDRO COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000732456582 1075748828 /nfs/dbraw/zinc/74/88/28/1075748828.db2.gz YCCAURIONGSPDY-HXUWFJFHSA-N 1 0 401.555 1.695 20 10 HDCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)cc2=O ZINC000732983761 1075937130 /nfs/dbraw/zinc/93/71/30/1075937130.db2.gz DMPWKYWMVBWGCY-AWEZNQCLSA-N 1 0 417.510 1.986 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)o3)cc2F)CC1 ZINC000733104955 1075969890 /nfs/dbraw/zinc/96/98/90/1075969890.db2.gz RAEHWLWCBZBHLF-UHFFFAOYSA-N 1 0 409.483 1.894 20 10 HDCDRO O[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)COc1ccc2c(c1)OCO2 ZINC000727469481 1076137048 /nfs/dbraw/zinc/13/70/48/1076137048.db2.gz ZTAAJRCKIFVICM-INIZCTEOSA-N 1 0 404.438 1.921 20 10 HDCDRO COc1ccc(N2CCN(C(=O)CON=C(N)C[NH+]3CCCCCC3)CC2)cc1 ZINC000730099987 1076452798 /nfs/dbraw/zinc/45/27/98/1076452798.db2.gz SEJHQZVNWCXAEQ-UHFFFAOYSA-N 1 0 403.527 1.718 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCc4nc(C)nn4C3)cc2F)CC1 ZINC000730127614 1076459074 /nfs/dbraw/zinc/45/90/74/1076459074.db2.gz SLZOIQWBXLEGMP-KRWDZBQOSA-N 1 0 415.517 1.682 20 10 HDCDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000730119793 1076463445 /nfs/dbraw/zinc/46/34/45/1076463445.db2.gz QDBOVSUQDBMRNJ-KZNAEPCWSA-N 1 0 421.561 1.874 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CN3CCCC3=O)cc2F)CC1 ZINC000730121408 1076464338 /nfs/dbraw/zinc/46/43/38/1076464338.db2.gz OQQFXLJVOUFTMP-INIZCTEOSA-N 1 0 405.518 1.778 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(OCC(N)=O)c3)cc2F)CC1 ZINC000730236227 1076491321 /nfs/dbraw/zinc/49/13/21/1076491321.db2.gz ZAQGCVLUDBHKGL-UHFFFAOYSA-N 1 0 414.481 1.762 20 10 HDCDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000730593146 1076610819 /nfs/dbraw/zinc/61/08/19/1076610819.db2.gz LHSNKYZJKCAHPM-INIZCTEOSA-N 1 0 410.540 1.006 20 10 HDCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000731498837 1075368634 /nfs/dbraw/zinc/36/86/34/1075368634.db2.gz SIFGVKXGXCNGHL-UHFFFAOYSA-N 1 0 417.554 1.265 20 10 HDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732450102 1075740907 /nfs/dbraw/zinc/74/09/07/1075740907.db2.gz NUPGFQQPKDEVKT-AZUAARDMSA-N 1 0 417.554 1.298 20 10 HDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000732450105 1075740926 /nfs/dbraw/zinc/74/09/26/1075740926.db2.gz NUPGFQQPKDEVKT-ICSRJNTNSA-N 1 0 417.554 1.298 20 10 HDCDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732455440 1075742822 /nfs/dbraw/zinc/74/28/22/1075742822.db2.gz LSSMDLZQSMDSCG-FQEVSTJZSA-N 1 0 419.570 1.227 20 10 HDCDRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000733328578 1076045043 /nfs/dbraw/zinc/04/50/43/1076045043.db2.gz VOLRSPBOZIGEQE-ZDUSSCGKSA-N 1 0 408.499 1.917 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)[C@H](C)N3CCOCC3)cc2F)CC1 ZINC000730125026 1076465221 /nfs/dbraw/zinc/46/52/21/1076465221.db2.gz CHFBIPXDYFSZKQ-MSOLQXFVSA-N 1 0 421.561 1.876 20 10 HDCDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCCN3C(=O)CCC3=O)cc2F)CC1 ZINC000730193825 1076476679 /nfs/dbraw/zinc/47/66/79/1076476679.db2.gz BNQXLZCJHWPJBI-UHFFFAOYSA-N 1 0 404.486 1.513 20 10 HDCDRO CCC[NH+]1CCC(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000730580533 1076601604 /nfs/dbraw/zinc/60/16/04/1076601604.db2.gz LCJGIPKCGFWKCP-UHFFFAOYSA-N 1 0 403.571 1.991 20 10 HDCDRO COCCN1C(=O)C(=CNCc2ccccc2C[NH+]2CCCCC2)C(=O)NC1=S ZINC000730993529 1076705867 /nfs/dbraw/zinc/70/58/67/1076705867.db2.gz AORHMJODZNHAAS-JXAWBTAJSA-N 1 0 416.547 1.536 20 10 HDCDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766023920 1073660168 /nfs/dbraw/zinc/66/01/68/1073660168.db2.gz QUJXYSLIDPASAC-AZUAARDMSA-N 1 0 406.546 1.719 20 10 HDCDRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000804083555 1075357965 /nfs/dbraw/zinc/35/79/65/1075357965.db2.gz BRGAQAVKMNVVFK-MRXNPFEDSA-N 1 0 424.973 1.887 20 10 HDCDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732242979 1075677987 /nfs/dbraw/zinc/67/79/87/1075677987.db2.gz IZUZNCJZSDZCPK-HXUWFJFHSA-N 1 0 403.571 1.991 20 10 HDCDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000732449328 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